| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42 | Very low | 37.9 | Very low | 238 Ų | 238 | 130.1 Ų | 130.1 | 100% | 1.172 | 81% | 0.805 | S | S | * | * | 0 | 94.2 | 0 | -76.2 | 159.3 | 168.2 | 0 | 0 | 105 | |||||
| 2 | A | 39.9 | Very low | 37.4 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | 64.6 | 130.2 | 84.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 3 | E | 39.3 | Very low | 37.5 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | cis | -177.7 | 155.4 | 3.2 | -145.8 | 164.6 | 64.2 | 0 | 0 | 104.8 | ||||
| 4 | Q | 42.6 | Very low | 37.3 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | 65 | 132.8 | 153.8 | -71.1 | 150.3 | 25.2 | 0 | 0 | 119.2 | ||||
| 5 | G | 36 | Very low | 37.3 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | 111 | 129.2 | 15.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 6 | A | 40.7 | Very low | 37.4 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 77.4 | 111.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 7 | A | 38.3 | Very low | 37.7 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | 97.9 | 106.8 | 78.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 8 | D | 36.9 | Very low | 37.5 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | 72.6 | 146.2 | 79.2 | -165.1 | -102.7 | 0 | 0 | 0 | 112.7 | |||||
| 9 | L | 39.2 | Very low | 37.7 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 92.9 | 95.8 | -172.6 | -51.7 | 156.3 | 0 | 0 | 0 | 111.7 | ||||
| 10 | G | 30.8 | Very low | 37.8 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | cis | 83.9 | 93.8 | 38 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 11 | N | 31.3 | Very low | 38.1 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -179.8 | 119.8 | 136.4 | -122.4 | 10.6 | 0 | 0 | 0 | 113.1 | ||||
| 12 | N | 31.6 | Very low | 38.7 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | 45.9 | 98 | 123.2 | -66.1 | -11.1 | 0 | 0 | 0 | 118.9 | |||||
| 13 | N | 39.4 | Very low | 40.1 | Very low | 149 Ų | 149 | 124 Ų | 124 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | 168.3 | 82 | 98.9 | -90.3 | -22.7 | 0 | 0 | 0 | 108.4 | N15 | N13-N15 PolarHBondContact O-N 3.24Š| |||
| 14 | N | 34.5 | Very low | 42.1 | Very low | 159 Ų | 159 | 122.7 Ų | 122.7 | 85% | 0.85 | 72% | 0.722 | S | S | * | * | trans | -78.8 | 63.4 | 163.5 | -150.9 | 18.2 | 0 | 0 | 0 | 108.1 | K16 | N14-K16 PolarHBondContact O-N 3.4Å; N14-K16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | N | 36.3 | Very low | 44 | Very low | 138 Ų | 138 | 114.9 Ų | 114.9 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | trans | -81.2 | 75.9 | 161.3 | -158.6 | 54.1 | 0 | 0 | 0 | 105.9 | N13 P17 | N13-N15 PolarHBondContact O-N 3.24Å; N15-P17 WeakPolarHBondContact O-CD 3.14Å | ||
| 16 | K | 40.3 | Very low | 46.2 | Very low | 164 Ų | 164 | 116.3 Ų | 116.3 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | trans | -69.9 | 105.2 | 159.3 | -177.4 | 168.9 | -179.6 | -174.6 | 0 | 104.5 | N14 E18 | N14-K16 PolarHBondContact O-N 3.4Å; N14-K16 VanDerWaalsContact O-N 3.11Å; K16-E18 PolarHBondContact O-N 3.34Å | ||
| 17 | P | 41.4 | Very low | 48.3 | Very low | 103 Ų | 103 | 111.5 Ų | 111.5 | 67% | 0.669 | 63% | 0.632 | S | S | * | * | trans | -64.2 | 134.3 | 163.7 | 31.5 | -29.6 | 0 | 0 | 0 | 105.3 | N15 A19 | N15-P17 WeakPolarHBondContact O-CD 3.14Å; P17-A19 PolarHBondContact O-N 3.11Å | ||
| 18 | E | 35.4 | Very low | 50.5 | Low | 181 Ų | 181 | 107.8 Ų | 107.8 | 85% | 0.846 | 60% | 0.6 | S | S | * | * | trans | -41.6 | 136.2 | 174.4 | -69.3 | -174.5 | 96.8 | 0 | 0 | 110.5 | K16 S20 | K16-E18 PolarHBondContact O-N 3.34Å; E18-S20 PolarHBondContact O-N 3.5Å | ||
| 19 | A | 40.2 | Very low | 52.9 | Low | 92 Ų | 92 | 100.8 Ų | 100.8 | 76% | 0.76 | 56% | 0.562 | S | S | * | * | trans | -63.9 | 90.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107 | P17 E21 | P17-A19 PolarHBondContact O-N 3.11Å; A19-E21 PolarHBondContact O-N 2.93Å | ||
| 20 | S | 39.8 | Very low | 55 | Low | 84 Ų | 84 | 97.4 Ų | 97.4 | 59% | 0.587 | 54% | 0.541 | S | S | * | . | trans | -49 | 121.3 | 143.5 | -54 | 0 | 0 | 0 | 0 | 105.1 | E18 G22 | E18-S20 PolarHBondContact O-N 3.5Å; S20-G22 PolarHBondContact O-N 2.81Å | ||
| 21 | E | 44.8 | Very low | 57.5 | Low | 204 Ų | 204 | 95 Ų | 95 | 95% | 0.953 | 51% | 0.512 | S | S | * | . | trans | -62.6 | 69.2 | 158.6 | -83 | -179.7 | 109.5 | 0 | 0 | 107.3 | A19 T23 | A19-E21 PolarHBondContact O-N 2.93Å; E21-T23 PolarHBondContact O-N 2.68Å | ||
| 22 | G | 53.8 | Low | 59.6 | Low | 21 Ų | 21 | 93.8 Ų | 93.8 | 22% | 0.216 | 51% | 0.512 | C | S | . | . | trans | -70.8 | 127.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | S20 I24 | S20-G22 PolarHBondContact O-N 2.81Å; G22-I24 PolarHBondContact O-N 2.95Å | ||
| 23 | T | 70.6 | Confident | 61.5 | Low | 86 Ų | 86 | 96.8 Ų | 96.8 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | trans | -44.5 | 112.6 | 172.6 | -41.1 | 0 | 0 | 0 | 0 | 108.4 | E21 I25 E42 | E21-T23 PolarHBondContact O-N 2.68Å; T23-I25 HydrophobicContact CG2-CG2 4.37Å; T23-I25 PolarHBondContact O-N 3.03Å; T23-I25 VanDerWaalsContact O-N 3.14Å; T23-E42 VanDerWaalsContact CB-OE2 3.22Å; T23-E42 WeakPolarHBondContact CB-OE2 3.22Å; T23-E42 WeakPolarHBondContact O-CB 3.37Å; T23-E42 PolarHBondContact O-N 2.93Å; T23-E42 PolarHBondContact OG1-OE2 3.14Å | ||
| 24 | I | 79.7 | Confident | 63.3 | Low | 120 Ų | 120 | 94.6 Ų | 94.6 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 113.2 | 174 | -61.6 | 171.7 | 0 | 0 | 0 | 105.7 | G22 A39 | G22-I24 PolarHBondContact O-N 2.95Å; I24-A39 HydrophobicContact CG2-CB 3.87Å |
| 25 | I | 82.9 | Confident | 65.6 | Low | 3 Ų | 3 | 94 Ų | 94 | 2% | 0.015 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 137.3 | 177.5 | 58.2 | 167 | 0 | 0 | 0 | 109.6 | T23 V27 A39 I40 E42 I84 D86 | T23-I25 HydrophobicContact CG2-CG2 4.37Å; T23-I25 PolarHBondContact O-N 3.03Å; T23-I25 VanDerWaalsContact O-N 3.14Å; I25-V27 HydrophobicContact CD1-CG2 3.73Å; I25-V27 HydrophobicContact CG1-CG2 3.98Å; I25-A39 WeakPolarHBondContact O-CA 3.26Å; I25-I40 HydrophobicContact CG1-CG2 4.13Å; I25-I40 VanDerWaalsContact CG1-O 3.22Å; I25-I40 WeakPolarHBondContact CG1-O 3.13Å; I25-I40 PolarHBondContact N-O 2.83Å; I25-I40 PolarHBondContact O-N 3.24Å; I25-I40 VanDerWaalsContact O-O 3.13Å; I25-E42 HydrophobicContact CG2-CB 4.05Å; I25-E42 HydrophobicContact CG2-CG 4.46Å; I25-I84 HydrophobicContact CD1-CG2 4.14Å; I25-I84 WeakPolarHBondContact CD1-O 3.22Å; I25-D86 HydrophobicContact CB-CB 4.18Å; I25-D86 HydrophobicContact CG2-CB 4.07Å |
| 26 | K | 83 | Confident | 67.7 | Low | 101 Ų | 101 | 90.4 Ų | 90.4 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 108.4 | 171.4 | -68.3 | 172.7 | 163.3 | -150.8 | 0 | 108.9 | E37 D86 G87 | K26-E37 HydrophobicContact CB-CG 4.11Å; K26-E37 WeakPolarHBondContact CD-OE1 3.42Å; K26-E37 IonicContact NZ-OE1 2.83Å; K26-E37 PolarHBondContact NZ-OE1 3.06Å; K26-D86 WeakPolarHBondContact CB-OD2 3.49Å; K26-D86 PolarHBondContact N-OD2 3.24Å; K26-G87 PolarHBondContact O-N 3.39Å |
| 27 | V | 83.6 | Confident | 69.8 | Low | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.9 | 178.4 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | I25 I38 I40 F49 I84 V90 | I25-V27 HydrophobicContact CD1-CG2 3.73Å; I25-V27 HydrophobicContact CG1-CG2 3.98Å; V27-I38 PolarHBondContact N-O 3.28Å; V27-I38 PolarHBondContact O-N 2.79Å; V27-I40 HydrophobicContact CG2-CG2 4.28Å; V27-F49 HydrophobicContact CB-CE2 4.1Å; V27-F49 HydrophobicContact CB-CZ 3.82Å; V27-F49 HydrophobicContact CG1-CE1 4.29Å; V27-F49 HydrophobicContact CG1-CE2 4.4Å; V27-F49 HydrophobicContact CG1-CZ 3.62Å; V27-I84 HydrophobicContact CB-CG2 4.48Å; V27-I84 HydrophobicContact CG1-CG2 3.97Å; V27-I84 HydrophobicContact CG2-CG2 3.6Å; V27-V90 HydrophobicContact CG1-CB 4.26Å; V27-V90 HydrophobicContact CG1-CG2 3.51Å |
| 28 | T | 85.5 | Confident | 71.8 | Confident | 13 Ų | 13 | 83.3 Ų | 83.3 | 8% | 0.08 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 115.9 | 176 | -70 | 0 | 0 | 0 | 0 | 109.6 | K30 K35 E36 L88 T89 V90 | T28-K30 HydrophobicContact CG2-CG 4.24Å; T28-K35 HydrophobicContact CG2-CD 4.09Å; T28-K35 HydrophobicContact CG2-CG 3.82Å; T28-E36 CarbonylContact C-O 3.56Å; T28-L88 PolarHBondContact N-O 3.24Å; T28-T89 HydrophobicContact CG2-CG2 3.95Å; T28-T89 CarbonylContact O-C 3.54Å; T28-T89 VanDerWaalsContact O-CA 3.23Å; T28-T89 WeakPolarHBondContact O-CA 3.12Å; T28-V90 PolarHBondContact O-N 2.73Å |
| 29 | V | 86.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115.6 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | K35 E36 I38 F49 I53 F57 V90 L92 | V29-K35 WeakPolarHBondContact O-CA 3.45Å; V29-E36 PolarHBondContact N-O 3.06Å; V29-E36 PolarHBondContact O-N 3.08Å; V29-I38 HydrophobicContact CB-CD1 4.47Å; V29-I38 HydrophobicContact CG2-CD1 3.88Å; V29-I38 HydrophobicContact CG2-CG1 4.35Å; V29-F49 HydrophobicContact CG2-CE1 4.14Å; V29-F49 HydrophobicContact CG2-CE2 4.22Å; V29-F49 HydrophobicContact CG2-CZ 3.45Å; V29-F49 VanDerWaalsContact CG2-CZ 3.45Å; V29-I53 HydrophobicContact CG1-CD1 4.27Å; V29-I53 HydrophobicContact CG1-CG1 4.49Å; V29-I53 HydrophobicContact CG2-CD1 4.01Å; V29-I53 HydrophobicContact CG2-CG1 4.16Å; V29-F57 HydrophobicContact CB-CE2 4.36Å; V29-F57 HydrophobicContact CG1-CE2 4.15Å; V29-F57 HydrophobicContact CG1-CZ 4.33Å; V29-V90 CarbonylContact C-O 3.29Å; V29-V90 WeakPolarHBondContact CA-O 3.39Å; V29-L92 HydrophobicContact CG1-CB 3.52Å; V29-L92 HydrophobicContact CG1-CD2 3.85Å; V29-L92 HydrophobicContact CG1-CG 4.27Å |
| 30 | K | 83.2 | Confident | 76.1 | Confident | 88 Ų | 88 | 74 Ų | 74 | 38% | 0.383 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.9 | 176.6 | -70.5 | -179.8 | 73.7 | -170.7 | 0 | 110.1 | T28 K35 V90 H91 L92 | T28-K30 HydrophobicContact CG2-CG 4.24Å; K30-K35 HydrophobicContact CG-CB 4.48Å; K30-K35 HydrophobicContact CG-CG 4.04Å; K30-V90 PolarHBondContact N-O 2.96Å; K30-H91 CarbonylContact O-C 3.59Å; K30-H91 WeakPolarHBondContact O-CA 3.18Å; K30-L92 PolarHBondContact O-N 2.97Å |
| 31 | T | 82.6 | Confident | 78.1 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | trans | -95.1 | 165.7 | 164 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | K33 D34 F57 L92 | T31-K33 PolarHBondContact O-N 3.12Å; T31-K33 VanDerWaalsContact O-N 3.08Å; T31-D34 WeakPolarHBondContact CA-O 3.29Å; T31-D34 PolarHBondContact N-O 3.46Å; T31-D34 WeakPolarHBondContact OG1-CA 3.41Å; T31-D34 PolarHBondContact OG1-N 2.63Å; T31-D34 PolarHBondContact OG1-O 3.4Å; T31-F57 HydrophobicContact CG2-CD1 3.69Å; T31-F57 HydrophobicContact CG2-CE1 3.37Å; T31-F57 HydrophobicContact CG2-CZ 3.97Å; T31-L92 HydrophobicContact CG2-CB 3.81Å; T31-L92 HydrophobicContact CG2-CD2 3.51Å; T31-L92 HydrophobicContact CG2-CG 3.93Å | ||
| 32 | P | 76.9 | Confident | 79.5 | Confident | 120 Ų | 120 | 64.9 Ų | 64.9 | 78% | 0.779 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -60.4 | -13.2 | 172 | 22.6 | -35.4 | 0 | 0 | 0 | 114.4 | L92 | P32-L92 WeakPolarHBondContact CD-O 3.43Š|
| 33 | K | 70.4 | Confident | 80.5 | Confident | 186 Ų | 186 | 68.1 Ų | 68.1 | 81% | 0.809 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -117.3 | -31 | -176.2 | -65.2 | -173.3 | 175.6 | -179.5 | 0 | 113.7 | T31 | T31-K33 PolarHBondContact O-N 3.12Å; T31-K33 VanDerWaalsContact O-N 3.08Å |
| 34 | D | 77.8 | Confident | 80.9 | Confident | 103 Ų | 103 | 64.2 Ų | 64.2 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | trans | -145.3 | 155.5 | -169.8 | -67.3 | -84.4 | 0 | 0 | 0 | 112.2 | T31 F57 | T31-D34 WeakPolarHBondContact CA-O 3.29Å; T31-D34 PolarHBondContact N-O 3.46Å; T31-D34 WeakPolarHBondContact OG1-CA 3.41Å; T31-D34 PolarHBondContact OG1-N 2.63Å; T31-D34 PolarHBondContact OG1-O 3.4Å; D34-F57 HydrophobicContact CB-CE1 4.03Å | ||
| 35 | K | 83.2 | Confident | 81.1 | Confident | 146 Ų | 146 | 60 Ų | 60 | 64% | 0.635 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.7 | 174.1 | 178.1 | -169.3 | -178.3 | -164.8 | 0 | 108.3 | T28 V29 K30 | T28-K35 HydrophobicContact CG2-CD 4.09Å; T28-K35 HydrophobicContact CG2-CG 3.82Å; V29-K35 WeakPolarHBondContact O-CA 3.45Å; K30-K35 HydrophobicContact CG-CB 4.48Å; K30-K35 HydrophobicContact CG-CG 4.04Å |
| 36 | E | 80.8 | Confident | 81.1 | Confident | 63 Ų | 63 | 59.9 Ų | 59.9 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 150 | 172.6 | -74.6 | -145.3 | 165.8 | 0 | 0 | 112 | T28 V29 R56 F57 | T28-E36 CarbonylContact C-O 3.56Å; V29-E36 PolarHBondContact N-O 3.06Å; V29-E36 PolarHBondContact O-N 3.08Å; E36-R56 WeakPolarHBondContact OE2-CB 3.3Å; E36-R56 WeakPolarHBondContact OE2-CD 3.25Å; E36-R56 VanDerWaalsContact OE2-CG 3.26Å; E36-R56 WeakPolarHBondContact OE2-CG 2.95Å; E36-F57 HydrophobicContact CB-CE2 3.89Å; E36-F57 HydrophobicContact CB-CZ 3.73Å; E36-F57 HydrophobicContact CG-CE1 4.47Å; E36-F57 HydrophobicContact CG-CE2 4.17Å; E36-F57 HydrophobicContact CG-CZ 3.84Å |
| 37 | E | 83.8 | Confident | 81.1 | Confident | 111 Ų | 111 | 57.7 Ų | 57.7 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.6 | 172.4 | -175.4 | 175.4 | 110.8 | 0 | 0 | 108.8 | K26 | K26-E37 HydrophobicContact CB-CG 4.11Å; K26-E37 WeakPolarHBondContact CD-OE1 3.42Å; K26-E37 IonicContact NZ-OE1 2.83Å; K26-E37 PolarHBondContact NZ-OE1 3.06Å |
| 38 | I | 83.1 | Confident | 81.1 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.3 | -179.3 | -58.5 | 178.9 | 0 | 0 | 0 | 108.1 | V27 V29 F49 E52 I53 | V27-I38 PolarHBondContact N-O 3.28Å; V27-I38 PolarHBondContact O-N 2.79Å; V29-I38 HydrophobicContact CB-CD1 4.47Å; V29-I38 HydrophobicContact CG2-CD1 3.88Å; V29-I38 HydrophobicContact CG2-CG1 4.35Å; I38-F49 HydrophobicContact CB-CE2 4.01Å; I38-F49 HydrophobicContact CD1-CE2 4.42Å; I38-F49 HydrophobicContact CG2-CD2 4.3Å; I38-F49 HydrophobicContact CG2-CE2 3.93Å; I38-E52 HydrophobicContact CG2-CB 4.09Å; I38-E52 HydrophobicContact CG2-CG 4.02Å; I38-I53 HydrophobicContact CD1-CB 4.15Å; I38-I53 HydrophobicContact CD1-CD1 4.38Å; I38-I53 HydrophobicContact CD1-CG1 3.24Å |
| 39 | A | 82.9 | Confident | 81.1 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 51% | 0.512 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109 | I24 I25 | I24-A39 HydrophobicContact CG2-CB 3.87Å; I25-A39 WeakPolarHBondContact O-CA 3.26Å |
| 40 | I | 82.9 | Confident | 80.9 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 9% | 0.087 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 155 | 178.6 | -167.2 | 162.2 | 0 | 0 | 0 | 110.1 | I25 V27 A44 Q48 F49 L79 | I25-I40 HydrophobicContact CG1-CG2 4.13Å; I25-I40 VanDerWaalsContact CG1-O 3.22Å; I25-I40 WeakPolarHBondContact CG1-O 3.13Å; I25-I40 PolarHBondContact N-O 2.83Å; I25-I40 PolarHBondContact O-N 3.24Å; I25-I40 VanDerWaalsContact O-O 3.13Å; V27-I40 HydrophobicContact CG2-CG2 4.28Å; I40-A44 HydrophobicContact CD1-CB 3.65Å; I40-A44 HydrophobicContact CG1-CB 3.54Å; I40-Q48 HydrophobicContact CD1-CB 4.4Å; I40-F49 HydrophobicContact CB-CD2 4.24Å; I40-F49 VanDerWaalsContact CD1-CA 3.46Å; I40-F49 HydrophobicContact CD1-CB 3.65Å; I40-F49 HydrophobicContact CD1-CD2 3.71Å; I40-F49 HydrophobicContact CD1-CG 4.12Å; I40-F49 HydrophobicContact CG2-CD2 3.83Å; I40-F49 HydrophobicContact CG2-CE2 4.05Å; I40-L79 HydrophobicContact CD1-CD1 4.11Å; I40-L79 HydrophobicContact CG1-CD1 4.4Å; I40-L79 HydrophobicContact CG2-CD1 3.59Å |
| 41 | A | 81.2 | Confident | 81 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 142.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D43 A44 | A41-D43 VanDerWaalsContact CB-OD1 3.26Å; A41-D43 WeakPolarHBondContact CB-OD1 3.09Å; A41-D43 PolarHBondContact O-N 3.24Å; A41-A44 HydrophobicContact CB-CB 4.36Å; A41-A44 WeakPolarHBondContact O-CB 3.41Å; A41-A44 PolarHBondContact O-N 2.98Å |
| 42 | E | 75.6 | Confident | 81 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -32.3 | -178.8 | -178.3 | 171.8 | -168.6 | 0 | 0 | 113.2 | T23 I25 S80 | T23-E42 VanDerWaalsContact CB-OE2 3.22Å; T23-E42 WeakPolarHBondContact CB-OE2 3.22Å; T23-E42 WeakPolarHBondContact O-CB 3.37Å; T23-E42 PolarHBondContact O-N 2.93Å; T23-E42 PolarHBondContact OG1-OE2 3.14Å; I25-E42 HydrophobicContact CG2-CB 4.05Å; I25-E42 HydrophobicContact CG2-CG 4.46Å; E42-S80 WeakPolarHBondContact CG-OG 3.37Å; E42-S80 PolarHBondContact O-N 3.48Å; E42-S80 PolarHBondContact O-OG 3.4Å |
| 43 | D | 74.8 | Confident | 81.3 | Confident | 90 Ų | 90 | 59.4 Ų | 59.4 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -2.3 | 178.5 | 63.5 | -31.3 | 0 | 0 | 0 | 113.8 | A41 | A41-D43 VanDerWaalsContact CB-OD1 3.26Å; A41-D43 WeakPolarHBondContact CB-OD1 3.09Å; A41-D43 PolarHBondContact O-N 3.24Å |
| 44 | A | 79 | Confident | 81.8 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 27% | 0.271 | C | S | . | . | trans | -66.1 | 147.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I40 A41 L79 | I40-A44 HydrophobicContact CD1-CB 3.65Å; I40-A44 HydrophobicContact CG1-CB 3.54Å; A41-A44 HydrophobicContact CB-CB 4.36Å; A41-A44 WeakPolarHBondContact O-CB 3.41Å; A41-A44 PolarHBondContact O-N 2.98Å; A44-L79 HydrophobicContact CB-CD1 4.42Å; A44-L79 PolarHBondContact O-N 2.81Å | ||
| 45 | S | 83.9 | Confident | 82.1 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -76.4 | 156.5 | 176.3 | 61.9 | 0 | 0 | 0 | 0 | 112 | T47 Q48 F49 | S45-T47 WeakPolarHBondContact CB-OG1 3.35Å; S45-T47 PolarHBondContact O-N 3.45Å; S45-T47 PolarHBondContact OG-OG1 3.36Å; S45-Q48 PolarHBondContact O-N 3.27Å; S45-Q48 VanDerWaalsContact O-N 3.1Å; S45-Q48 WeakPolarHBondContact OG-CG 3.33Å; S45-Q48 PolarHBondContact OG-N 3.29Å; S45-F49 PolarHBondContact O-N 2.82Å; S45-F49 VanDerWaalsContact O-N 3.08Å |
| 46 | V | 82.9 | Confident | 82 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -28.4 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 112 | F49 K50 L66 L73 K74 D77 L79 | V46-F49 PolarHBondContact O-N 3.17Å; V46-K50 HydrophobicContact CG1-CD 4.33Å; V46-K50 HydrophobicContact CG1-CG 4.46Å; V46-K50 WeakPolarHBondContact O-CB 3.39Å; V46-K50 WeakPolarHBondContact O-CG 3.45Å; V46-K50 PolarHBondContact O-N 3.05Å; V46-L66 HydrophobicContact CG1-CD1 4.46Å; V46-L73 HydrophobicContact CG1-CB 4.18Å; V46-L73 HydrophobicContact CG2-CB 4.15Å; V46-L73 HydrophobicContact CG2-CD2 3.85Å; V46-L73 HydrophobicContact CG2-CG 4.33Å; V46-K74 VanDerWaalsContact CB-O 3.3Å; V46-K74 WeakPolarHBondContact CB-O 3.44Å; V46-K74 WeakPolarHBondContact CG1-O 3.42Å; V46-D77 WeakPolarHBondContact CG2-O 3.46Å; V46-D77 PolarHBondContact N-O 3.2Å; V46-L79 HydrophobicContact CG2-CD2 4.16Å |
| 47 | T | 83.1 | Confident | 81.8 | Confident | 55 Ų | 55 | 51.6 Ų | 51.6 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 172.2 | 35.1 | 0 | 0 | 0 | 0 | 113 | S45 F49 K50 E51 D75 | S45-T47 WeakPolarHBondContact CB-OG1 3.35Å; S45-T47 PolarHBondContact O-N 3.45Å; S45-T47 PolarHBondContact OG-OG1 3.36Å; T47-F49 VanDerWaalsContact C-N 3.32Å; T47-K50 PolarHBondContact O-N 2.72Å; T47-E51 PolarHBondContact O-N 3.1Å; T47-D75 HydrophobicContact CG2-CB 3.62Å; T47-D75 WeakPolarHBondContact CG2-O 3.46Å |
| 48 | Q | 83.6 | Confident | 81.5 | Confident | 105 Ų | 105 | 55.8 Ų | 55.8 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 176 | -68.9 | 174.4 | 4.5 | 0 | 0 | 110.8 | I40 S45 E51 E52 | I40-Q48 HydrophobicContact CD1-CB 4.4Å; S45-Q48 PolarHBondContact O-N 3.27Å; S45-Q48 VanDerWaalsContact O-N 3.1Å; S45-Q48 WeakPolarHBondContact OG-CG 3.33Å; S45-Q48 PolarHBondContact OG-N 3.29Å; Q48-E51 WeakPolarHBondContact O-CB 3.45Å; Q48-E51 PolarHBondContact O-N 2.94Å; Q48-E52 PolarHBondContact O-N 3.36Å |
| 49 | F | 84.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.4 | -167.4 | -133 | 0 | 0 | 0 | 112.9 | V27 V29 I38 I40 S45 V46 T47 E51 E52 I53 L66 L79 V90 | V27-F49 HydrophobicContact CB-CE2 4.1Å; V27-F49 HydrophobicContact CB-CZ 3.82Å; V27-F49 HydrophobicContact CG1-CE1 4.29Å; V27-F49 HydrophobicContact CG1-CE2 4.4Å; V27-F49 HydrophobicContact CG1-CZ 3.62Å; V29-F49 HydrophobicContact CG2-CE1 4.14Å; V29-F49 HydrophobicContact CG2-CE2 4.22Å; V29-F49 HydrophobicContact CG2-CZ 3.45Å; V29-F49 VanDerWaalsContact CG2-CZ 3.45Å; I38-F49 HydrophobicContact CB-CE2 4.01Å; I38-F49 HydrophobicContact CD1-CE2 4.42Å; I38-F49 HydrophobicContact CG2-CD2 4.3Å; I38-F49 HydrophobicContact CG2-CE2 3.93Å; I40-F49 HydrophobicContact CB-CD2 4.24Å; I40-F49 VanDerWaalsContact CD1-CA 3.46Å; I40-F49 HydrophobicContact CD1-CB 3.65Å; I40-F49 HydrophobicContact CD1-CD2 3.71Å; I40-F49 HydrophobicContact CD1-CG 4.12Å; I40-F49 HydrophobicContact CG2-CD2 3.83Å; I40-F49 HydrophobicContact CG2-CE2 4.05Å; S45-F49 PolarHBondContact O-N 2.82Å; S45-F49 VanDerWaalsContact O-N 3.08Å; V46-F49 PolarHBondContact O-N 3.17Å; T47-F49 VanDerWaalsContact C-N 3.32Å; F49-E51 VanDerWaalsContact C-N 3.29Å; F49-E51 PolarHBondContact O-N 3.12Å; F49-E52 PolarHBondContact O-N 3.4Å; F49-I53 HydrophobicContact CD1-CD1 3.68Å; F49-I53 HydrophobicContact CD2-CD1 4.32Å; F49-I53 HydrophobicContact CE1-CD1 3.59Å; F49-I53 HydrophobicContact CE2-CD1 4.24Å; F49-I53 HydrophobicContact CE2-CG1 4.48Å; F49-I53 HydrophobicContact CG-CD1 4.05Å; F49-I53 HydrophobicContact CZ-CD1 3.87Å; F49-I53 HydrophobicContact CZ-CG1 4.49Å; F49-I53 WeakPolarHBondContact O-CB 3.21Å; F49-I53 WeakPolarHBondContact O-CD1 3.4Å; F49-I53 WeakPolarHBondContact O-CG1 3.4Å; F49-I53 PolarHBondContact O-N 2.87Å; F49-L66 HydrophobicContact CD1-CD2 3.25Å; F49-L66 HydrophobicContact CE1-CD2 3.24Å; F49-L66 HydrophobicContact CG-CD2 4.49Å; F49-L66 HydrophobicContact CZ-CD2 4.47Å; F49-L79 HydrophobicContact CB-CD1 4.11Å; F49-L79 HydrophobicContact CB-CD2 4.23Å; F49-L79 HydrophobicContact CD1-CD2 3.73Å; F49-L79 HydrophobicContact CD2-CD1 4.38Å; F49-L79 HydrophobicContact CE1-CD2 4.29Å; F49-L79 HydrophobicContact CG-CD1 4.14Å; F49-L79 HydrophobicContact CG-CD2 4.07Å; F49-V90 HydrophobicContact CE1-CG2 4.44Å |
| 50 | K | 82.8 | Confident | 80.8 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 172.6 | -87.3 | 175.2 | 157.2 | -160 | 0 | 112.4 | V46 T47 S54 Q61 L64 L66 D75 | V46-K50 HydrophobicContact CG1-CD 4.33Å; V46-K50 HydrophobicContact CG1-CG 4.46Å; V46-K50 WeakPolarHBondContact O-CB 3.39Å; V46-K50 WeakPolarHBondContact O-CG 3.45Å; V46-K50 PolarHBondContact O-N 3.05Å; T47-K50 PolarHBondContact O-N 2.72Å; K50-S54 WeakPolarHBondContact O-CB 3.44Å; K50-S54 PolarHBondContact O-N 3.45Å; K50-S54 PolarHBondContact O-OG 3.29Å; K50-Q61 HydrophobicContact CB-CG 4.45Å; K50-L64 WeakPolarHBondContact CE-O 3.19Å; K50-L64 HydrophobicContact CG-CB 4.43Å; K50-L64 PolarHBondContact NZ-O 3.34Å; K50-L64 WeakPolarHBondContact O-CD1 3.21Å; K50-L66 HydrophobicContact CD-CD1 4.03Å; K50-L66 HydrophobicContact CG-CD1 3.3Å; K50-D75 WeakPolarHBondContact CD-OD1 3.21Å; K50-D75 VanDerWaalsContact CE-OD1 3.25Å; K50-D75 WeakPolarHBondContact CE-OD1 3.44Å; K50-D75 VanDerWaalsContact NZ-CG 3.33Å; K50-D75 IonicContact NZ-OD1 2.76Å; K50-D75 PolarHBondContact NZ-OD1 2.89Å; K50-D75 IonicContact NZ-OD2 3.82Å; K50-D75 PolarHBondContact NZ-OD2 2.94Å; K50-D75 VanDerWaalsContact NZ-OD2 3.12Å |
| 51 | E | 85.1 | Confident | 80.7 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 174.8 | -172.4 | -179.9 | 156.2 | 0 | 0 | 111 | T47 Q48 F49 I53 S54 K55 Q61 | T47-E51 PolarHBondContact O-N 3.1Å; Q48-E51 WeakPolarHBondContact O-CB 3.45Å; Q48-E51 PolarHBondContact O-N 2.94Å; F49-E51 VanDerWaalsContact C-N 3.29Å; F49-E51 PolarHBondContact O-N 3.12Å; E51-I53 VanDerWaalsContact C-N 3.34Å; E51-I53 PolarHBondContact O-N 3.19Å; E51-S54 WeakPolarHBondContact CA-OG 3.44Å; E51-S54 PolarHBondContact O-N 2.76Å; E51-S54 VanDerWaalsContact O-N 3.11Å; E51-S54 PolarHBondContact O-OG 3.47Å; E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 3.25Å; E51-K55 VanDerWaalsContact OE1-CE 3.29Å; E51-K55 WeakPolarHBondContact OE1-CE 3.35Å; E51-K55 IonicContact OE1-NZ 3.12Å; E51-K55 PolarHBondContact OE1-NZ 3.44Å; E51-Q61 VanDerWaalsContact CA-NE2 3.34Å; E51-Q61 VanDerWaalsContact CB-NE2 3.26Å; E51-Q61 VanDerWaalsContact CG-NE2 3.33Å |
| 52 | E | 82.4 | Confident | 80.6 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | -179.7 | -136.5 | 62.4 | -175.3 | 0 | 0 | 111.9 | I38 Q48 F49 K55 R56 | I38-E52 HydrophobicContact CG2-CB 4.09Å; I38-E52 HydrophobicContact CG2-CG 4.02Å; Q48-E52 PolarHBondContact O-N 3.36Å; F49-E52 PolarHBondContact O-N 3.4Å; E52-K55 PolarHBondContact O-N 2.82Å; E52-K55 IonicContact OE2-NZ 2.74Å; E52-K55 PolarHBondContact OE2-NZ 3.17Å; E52-K55 VanDerWaalsContact OE2-NZ 3.12Å; E52-R56 WeakPolarHBondContact O-CG 3.24Å; E52-R56 PolarHBondContact O-N 3.46Å |
| 53 | I | 83.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 170.9 | -69.3 | 165.6 | 0 | 0 | 0 | 111.4 | V29 I38 F49 E51 K55 R56 F57 L64 L66 L92 | V29-I53 HydrophobicContact CG1-CD1 4.27Å; V29-I53 HydrophobicContact CG1-CG1 4.49Å; V29-I53 HydrophobicContact CG2-CD1 4.01Å; V29-I53 HydrophobicContact CG2-CG1 4.16Å; I38-I53 HydrophobicContact CD1-CB 4.15Å; I38-I53 HydrophobicContact CD1-CD1 4.38Å; I38-I53 HydrophobicContact CD1-CG1 3.24Å; F49-I53 HydrophobicContact CD1-CD1 3.68Å; F49-I53 HydrophobicContact CD2-CD1 4.32Å; F49-I53 HydrophobicContact CE1-CD1 3.59Å; F49-I53 HydrophobicContact CE2-CD1 4.24Å; F49-I53 HydrophobicContact CE2-CG1 4.48Å; F49-I53 HydrophobicContact CG-CD1 4.05Å; F49-I53 HydrophobicContact CZ-CD1 3.87Å; F49-I53 HydrophobicContact CZ-CG1 4.49Å; F49-I53 WeakPolarHBondContact O-CB 3.21Å; F49-I53 WeakPolarHBondContact O-CD1 3.4Å; F49-I53 WeakPolarHBondContact O-CG1 3.4Å; F49-I53 PolarHBondContact O-N 2.87Å; E51-I53 VanDerWaalsContact C-N 3.34Å; E51-I53 PolarHBondContact O-N 3.19Å; I53-K55 VanDerWaalsContact C-N 3.27Å; I53-K55 PolarHBondContact O-N 2.92Å; I53-R56 PolarHBondContact O-N 3.27Å; I53-F57 HydrophobicContact CG2-CD2 3.69Å; I53-F57 HydrophobicContact CG2-CE2 4.29Å; I53-F57 HydrophobicContact CG2-CG 4.43Å; I53-F57 WeakPolarHBondContact O-CB 3.49Å; I53-F57 WeakPolarHBondContact O-CD2 3.19Å; I53-F57 PolarHBondContact O-N 2.78Å; I53-L64 HydrophobicContact CB-CD1 4.27Å; I53-L64 HydrophobicContact CG2-CD1 3.82Å; I53-L64 HydrophobicContact CG2-CD2 4.1Å; I53-L66 HydrophobicContact CD1-CD1 4.4Å; I53-L66 HydrophobicContact CD1-CD2 3.48Å; I53-L66 VanDerWaalsContact CD1-CD2 3.48Å; I53-L66 HydrophobicContact CD1-CG 4.22Å; I53-L92 HydrophobicContact CG2-CD1 4.05Å; I53-L92 HydrophobicContact CG2-CD2 3.22Å; I53-L92 HydrophobicContact CG2-CG 4.28Å |
| 54 | S | 82 | Confident | 81.2 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -35.3 | -178.8 | 71 | 0 | 0 | 0 | 0 | 112.3 | K50 E51 K58 A59 | K50-S54 WeakPolarHBondContact O-CB 3.44Å; K50-S54 PolarHBondContact O-N 3.45Å; K50-S54 PolarHBondContact O-OG 3.29Å; E51-S54 WeakPolarHBondContact CA-OG 3.44Å; E51-S54 PolarHBondContact O-N 2.76Å; E51-S54 VanDerWaalsContact O-N 3.11Å; E51-S54 PolarHBondContact O-OG 3.47Å; S54-K58 VanDerWaalsContact O-CA 3.29Å; S54-K58 WeakPolarHBondContact O-CA 3.21Å; S54-K58 PolarHBondContact O-N 3.34Å; S54-A59 WeakPolarHBondContact CA-O 3.2Å; S54-A59 WeakPolarHBondContact CB-O 3.44Å; S54-A59 PolarHBondContact O-N 3.45Å |
| 55 | K | 84.1 | Confident | 81.4 | Confident | 118 Ų | 118 | 64.2 Ų | 64.2 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 174.3 | -69.8 | 169.8 | -171.2 | 154.5 | 0 | 111.5 | E51 E52 I53 | E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 3.25Å; E51-K55 VanDerWaalsContact OE1-CE 3.29Å; E51-K55 WeakPolarHBondContact OE1-CE 3.35Å; E51-K55 IonicContact OE1-NZ 3.12Å; E51-K55 PolarHBondContact OE1-NZ 3.44Å; E52-K55 PolarHBondContact O-N 2.82Å; E52-K55 IonicContact OE2-NZ 2.74Å; E52-K55 PolarHBondContact OE2-NZ 3.17Å; E52-K55 VanDerWaalsContact OE2-NZ 3.12Å; I53-K55 VanDerWaalsContact C-N 3.27Å; I53-K55 PolarHBondContact O-N 2.92Å |
| 56 | R | 80.8 | Confident | 81.4 | Confident | 161 Ų | 161 | 62.7 Ų | 62.7 | 61% | 0.608 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -71.7 | -47.3 | -179.4 | -73.3 | -60.3 | -178.2 | 162 | -3.5 | 113.5 | E36 E52 I53 | E36-R56 WeakPolarHBondContact OE2-CB 3.3Å; E36-R56 WeakPolarHBondContact OE2-CD 3.25Å; E36-R56 VanDerWaalsContact OE2-CG 3.26Å; E36-R56 WeakPolarHBondContact OE2-CG 2.95Å; E52-R56 WeakPolarHBondContact O-CG 3.24Å; E52-R56 PolarHBondContact O-N 3.46Å; I53-R56 PolarHBondContact O-N 3.27Å |
| 57 | F | 76.9 | Confident | 81.6 | Confident | 35 Ų | 35 | 65.2 Ų | 65.2 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -93.1 | 1.3 | -175.3 | -70.9 | -91.1 | 0 | 0 | 0 | 114.1 | V29 T31 D34 E36 I53 A59 L92 | V29-F57 HydrophobicContact CB-CE2 4.36Å; V29-F57 HydrophobicContact CG1-CE2 4.15Å; V29-F57 HydrophobicContact CG1-CZ 4.33Å; T31-F57 HydrophobicContact CG2-CD1 3.69Å; T31-F57 HydrophobicContact CG2-CE1 3.37Å; T31-F57 HydrophobicContact CG2-CZ 3.97Å; D34-F57 HydrophobicContact CB-CE1 4.03Å; E36-F57 HydrophobicContact CB-CE2 3.89Å; E36-F57 HydrophobicContact CB-CZ 3.73Å; E36-F57 HydrophobicContact CG-CE1 4.47Å; E36-F57 HydrophobicContact CG-CE2 4.17Å; E36-F57 HydrophobicContact CG-CZ 3.84Å; I53-F57 HydrophobicContact CG2-CD2 3.69Å; I53-F57 HydrophobicContact CG2-CE2 4.29Å; I53-F57 HydrophobicContact CG2-CG 4.43Å; I53-F57 WeakPolarHBondContact O-CB 3.49Å; I53-F57 WeakPolarHBondContact O-CD2 3.19Å; I53-F57 PolarHBondContact O-N 2.78Å; F57-A59 VanDerWaalsContact C-N 3.25Å; F57-A59 PolarHBondContact O-N 3.05Å; F57-L92 HydrophobicContact CD2-CD2 4.1Å; F57-L92 HydrophobicContact CE2-CD2 4.31Å; F57-L92 HydrophobicContact CG-CD2 4.2Å |
| 58 | K | 77.8 | Confident | 81.6 | Confident | 200 Ų | 200 | 64 Ų | 64 | 87% | 0.87 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 37.1 | 179.8 | -63.6 | 177.3 | 175.2 | 173.2 | 0 | 114.1 | S54 | S54-K58 VanDerWaalsContact O-CA 3.29Å; S54-K58 WeakPolarHBondContact O-CA 3.21Å; S54-K58 PolarHBondContact O-N 3.34Å |
| 59 | A | 75.4 | Confident | 81.2 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | trans | -124 | 144.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S54 F57 L64 I94 | S54-A59 WeakPolarHBondContact CA-O 3.2Å; S54-A59 WeakPolarHBondContact CB-O 3.44Å; S54-A59 PolarHBondContact O-N 3.45Å; F57-A59 VanDerWaalsContact C-N 3.25Å; F57-A59 PolarHBondContact O-N 3.05Å; A59-L64 HydrophobicContact CB-CD2 3.89Å; A59-I94 HydrophobicContact CB-CD1 4.13Å; A59-I94 HydrophobicContact CB-CG1 4.49Å; A59-I94 HydrophobicContact CB-CG2 4.13Å | ||
| 60 | K | 75.9 | Confident | 80.8 | Confident | 156 Ų | 156 | 66.7 Ų | 66.7 | 68% | 0.678 | 34% | 0.343 | S | S | * | . | trans | -64.5 | 139.8 | -178.6 | -61.3 | -178.5 | 177.4 | 175.6 | 0 | 110.8 | D62 Q63 L64 | K60-D62 PolarHBondContact O-N 3.35Å; K60-D62 VanDerWaalsContact O-N 3.09Å; K60-Q63 HydrophobicContact CB-CG 4.45Å; K60-Q63 WeakPolarHBondContact O-CB 3.26Å; K60-Q63 PolarHBondContact O-N 2.62Å; K60-L64 WeakPolarHBondContact O-CG 3.4Å; K60-L64 PolarHBondContact O-N 3.09Å | ||
| 61 | Q | 79.9 | Confident | 80.6 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 36% | 0.36 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -51.6 | -35 | 178.2 | -64.7 | 177.2 | 5.3 | 0 | 0 | 114 | K50 E51 Q63 L64 | K50-Q61 HydrophobicContact CB-CG 4.45Å; E51-Q61 VanDerWaalsContact CA-NE2 3.34Å; E51-Q61 VanDerWaalsContact CB-NE2 3.26Å; E51-Q61 VanDerWaalsContact CG-NE2 3.33Å; Q61-Q63 VanDerWaalsContact C-N 3.27Å; Q61-Q63 PolarHBondContact O-N 3.11Å; Q61-L64 PolarHBondContact O-N 3.47Å |
| 62 | D | 78.8 | Confident | 80.5 | Confident | 145 Ų | 145 | 74.1 Ų | 74.1 | 78% | 0.775 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -65.8 | -28.4 | 178.1 | -165.3 | -108.2 | 0 | 0 | 0 | 113.4 | K60 | K60-D62 PolarHBondContact O-N 3.35Å; K60-D62 VanDerWaalsContact O-N 3.09Å |
| 63 | Q | 80.8 | Confident | 80.4 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -87.3 | -13.6 | 178.7 | -68.3 | 179.3 | 98.8 | 0 | 0 | 112.3 | K60 Q61 I94 K95 A97 | K60-Q63 HydrophobicContact CB-CG 4.45Å; K60-Q63 WeakPolarHBondContact O-CB 3.26Å; K60-Q63 PolarHBondContact O-N 2.62Å; Q61-Q63 VanDerWaalsContact C-N 3.27Å; Q61-Q63 PolarHBondContact O-N 3.11Å; Q63-I94 HydrophobicContact CB-CG2 4.26Å; Q63-I94 CarbonylContact O-C 3.51Å; Q63-I94 WeakPolarHBondContact O-CA 3.39Å; Q63-K95 WeakPolarHBondContact CB-O 3.2Å; Q63-K95 WeakPolarHBondContact CG-O 3.43Å; Q63-K95 PolarHBondContact O-N 3.01Å; Q63-K95 PolarHBondContact OE1-O 3.37Å; Q63-A97 HydrophobicContact CG-CB 4.33Å |
| 64 | L | 82.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118.7 | -177.1 | -62.2 | 174.9 | 0 | 0 | 0 | 109.9 | K50 I53 A59 K60 Q61 L92 I94 | K50-L64 WeakPolarHBondContact CE-O 3.19Å; K50-L64 HydrophobicContact CG-CB 4.43Å; K50-L64 PolarHBondContact NZ-O 3.34Å; K50-L64 WeakPolarHBondContact O-CD1 3.21Å; I53-L64 HydrophobicContact CB-CD1 4.27Å; I53-L64 HydrophobicContact CG2-CD1 3.82Å; I53-L64 HydrophobicContact CG2-CD2 4.1Å; A59-L64 HydrophobicContact CB-CD2 3.89Å; K60-L64 WeakPolarHBondContact O-CG 3.4Å; K60-L64 PolarHBondContact O-N 3.09Å; Q61-L64 PolarHBondContact O-N 3.47Å; L64-L92 HydrophobicContact CB-CD1 3.97Å; L64-L92 HydrophobicContact CD2-CD1 3.86Å; L64-L92 HydrophobicContact CD2-CD2 3.96Å; L64-L92 HydrophobicContact CD2-CG 4.21Å; L64-L92 HydrophobicContact CG-CD1 4.45Å; L64-I94 HydrophobicContact CD2-CG1 4.03Å |
| 65 | V | 84.2 | Confident | 80 | Confident | 22 Ų | 22 | 80 Ų | 80 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 117 | 172 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | I67 I72 V93 K95 | V65-I67 HydrophobicContact CG1-CG1 4.4Å; V65-I72 HydrophobicContact CG1-CG1 4.38Å; V65-I72 HydrophobicContact CG1-CG2 3.58Å; V65-V93 HydrophobicContact CB-CB 4.42Å; V65-V93 PolarHBondContact N-O 3.3Å; V65-V93 PolarHBondContact O-N 3.28Å; V65-K95 HydrophobicContact CG2-CD 3.78Å; V65-K95 HydrophobicContact CG2-CG 4.15Å |
| 66 | L | 83.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 135 | 177.5 | -68.7 | 95.5 | 0 | 0 | 0 | 110.4 | V46 F49 K50 I53 I72 L73 V90 H91 L92 | V46-L66 HydrophobicContact CG1-CD1 4.46Å; F49-L66 HydrophobicContact CD1-CD2 3.25Å; F49-L66 HydrophobicContact CE1-CD2 3.24Å; F49-L66 HydrophobicContact CG-CD2 4.49Å; F49-L66 HydrophobicContact CZ-CD2 4.47Å; K50-L66 HydrophobicContact CD-CD1 4.03Å; K50-L66 HydrophobicContact CG-CD1 3.3Å; I53-L66 HydrophobicContact CD1-CD1 4.4Å; I53-L66 HydrophobicContact CD1-CD2 3.48Å; I53-L66 VanDerWaalsContact CD1-CD2 3.48Å; I53-L66 HydrophobicContact CD1-CG 4.22Å; L66-I72 WeakPolarHBondContact O-CA 3.36Å; L66-L73 HydrophobicContact CB-CB 4.17Å; L66-L73 PolarHBondContact O-N 3.18Å; L66-V90 HydrophobicContact CB-CG1 3.92Å; L66-V90 HydrophobicContact CD2-CG1 3.74Å; L66-V90 HydrophobicContact CG-CG1 4.26Å; L66-H91 CarbonylContact C-O 3.52Å; L66-L92 HydrophobicContact CD1-CD1 4.24Å; L66-L92 HydrophobicContact CG-CD1 3.96Å |
| 67 | I | 86.1 | Confident | 79.2 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 117.7 | -178.4 | -53.6 | 174.2 | 0 | 0 | 0 | 107.7 | V65 K71 I72 H91 V93 | V65-I67 HydrophobicContact CG1-CG1 4.4Å; I67-K71 WeakPolarHBondContact CA-O 3.23Å; I67-I72 HydrophobicContact CG1-CG1 4.3Å; I67-H91 HydrophobicContact CB-CB 4.29Å; I67-H91 PolarHBondContact N-O 2.82Å; I67-H91 PolarHBondContact O-N 3.09Å; I67-V93 HydrophobicContact CD1-CG2 3.7Å |
| 68 | F | 82.8 | Confident | 79.4 | Confident | 29 Ų | 29 | 72.8 Ų | 72.8 | 13% | 0.127 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130.4 | 176.9 | -177.1 | -106.8 | 0 | 0 | 0 | 109.6 | G70 K71 L73 H82 I84 L88 T89 V90 | F68-G70 PolarHBondContact O-N 2.74Å; F68-G70 VanDerWaalsContact O-N 3.1Å; F68-K71 PolarHBondContact N-O 3.12Å; F68-K71 PolarHBondContact O-N 3.21Å; F68-L73 HydrophobicContact CB-CD1 3.6Å; F68-H82 HydrophobicContact CD1-CB 4.47Å; F68-H82 WeakPolarHBondContact CD1-O 3.36Å; F68-H82 VanDerWaalsContact CE1-O 3.24Å; F68-H82 WeakPolarHBondContact CE1-O 3.47Å; F68-I84 HydrophobicContact CB-CD1 4.32Å; F68-I84 HydrophobicContact CD1-CD1 4.3Å; F68-I84 HydrophobicContact CD1-CG1 3.66Å; F68-I84 HydrophobicContact CD2-CG1 4.19Å; F68-I84 HydrophobicContact CE1-CG1 3.85Å; F68-I84 HydrophobicContact CE2-CG1 4.38Å; F68-I84 HydrophobicContact CG-CD1 4.15Å; F68-I84 HydrophobicContact CG-CG1 3.85Å; F68-I84 HydrophobicContact CZ-CG1 4.22Å; F68-L88 HydrophobicContact CE2-CB 3.94Å; F68-L88 HydrophobicContact CE2-CD1 4.14Å; F68-L88 HydrophobicContact CZ-CB 4.27Å; F68-L88 HydrophobicContact CZ-CD1 3.58Å; F68-L88 HydrophobicContact CZ-CG 4.49Å; F68-T89 WeakPolarHBondContact CD2-O 3.42Å; F68-V90 HydrophobicContact CB-CG1 4.46Å; F68-V90 HydrophobicContact CB-CG2 4.34Å; F68-V90 HydrophobicContact CD2-CG2 3.82Å; F68-V90 HydrophobicContact CG-CG2 4.35Å |
| 69 | A | 76 | Confident | 79.3 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 74% | 0.744 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 37.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K71 | A69-K71 VanDerWaalsContact C-N 3.27Å; A69-K71 PolarHBondContact O-N 3.14Å |
| 70 | G | 75 | Confident | 79 | Confident | 73 Ų | 73 | 65 Ų | 65 | 75% | 0.753 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 1.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F68 | F68-G70 PolarHBondContact O-N 2.74Å; F68-G70 VanDerWaalsContact O-N 3.1Å |
| 71 | K | 78.9 | Confident | 79 | Confident | 139 Ų | 139 | 64.2 Ų | 64.2 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.5 | 175 | -65.8 | -179 | -179.3 | 176.3 | 0 | 110.7 | I67 F68 A69 | I67-K71 WeakPolarHBondContact CA-O 3.23Å; F68-K71 PolarHBondContact N-O 3.12Å; F68-K71 PolarHBondContact O-N 3.21Å; A69-K71 VanDerWaalsContact C-N 3.27Å; A69-K71 PolarHBondContact O-N 3.14Å |
| 72 | I | 84.6 | Confident | 78.4 | Confident | 110 Ų | 110 | 63 Ų | 63 | 56% | 0.564 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121.8 | 171.7 | -62.3 | 167.6 | 0 | 0 | 0 | 107.9 | V65 L66 I67 | V65-I72 HydrophobicContact CG1-CG1 4.38Å; V65-I72 HydrophobicContact CG1-CG2 3.58Å; L66-I72 WeakPolarHBondContact O-CA 3.36Å; I67-I72 HydrophobicContact CG1-CG1 4.3Å |
| 73 | L | 80.3 | Confident | 78 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.6 | 176.2 | -90.1 | 68.1 | 0 | 0 | 0 | 109.7 | V46 L66 F68 L79 H82 I84 | V46-L73 HydrophobicContact CG1-CB 4.18Å; V46-L73 HydrophobicContact CG2-CB 4.15Å; V46-L73 HydrophobicContact CG2-CD2 3.85Å; V46-L73 HydrophobicContact CG2-CG 4.33Å; L66-L73 HydrophobicContact CB-CB 4.17Å; L66-L73 PolarHBondContact O-N 3.18Å; F68-L73 HydrophobicContact CB-CD1 3.6Å; L73-L79 HydrophobicContact CD2-CD2 4.36Å; L73-H82 HydrophobicContact CD1-CB 4.34Å; L73-H82 HydrophobicContact CD2-CB 4.26Å; L73-H82 HydrophobicContact CG-CB 4.39Å; L73-I84 HydrophobicContact CD2-CD1 3.31Å |
| 74 | K | 80.1 | Confident | 77.8 | Confident | 143 Ų | 143 | 56 Ų | 56 | 62% | 0.622 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 157.7 | 177.3 | -66.2 | -176.6 | -179.1 | 179.2 | 0 | 110.5 | V46 G76 D77 | V46-K74 VanDerWaalsContact CB-O 3.3Å; V46-K74 WeakPolarHBondContact CB-O 3.44Å; V46-K74 WeakPolarHBondContact CG1-O 3.42Å; K74-G76 PolarHBondContact O-N 2.9Å; K74-G76 VanDerWaalsContact O-N 3.12Å; K74-D77 PolarHBondContact O-N 2.73Å; K74-D77 VanDerWaalsContact O-N 3.17Å |
| 75 | D | 76.4 | Confident | 77.3 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 40% | 0.401 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.8 | -178.7 | -64.2 | -63.3 | 0 | 0 | 0 | 114.2 | T47 K50 | T47-D75 HydrophobicContact CG2-CB 3.62Å; T47-D75 WeakPolarHBondContact CG2-O 3.46Å; K50-D75 WeakPolarHBondContact CD-OD1 3.21Å; K50-D75 VanDerWaalsContact CE-OD1 3.25Å; K50-D75 WeakPolarHBondContact CE-OD1 3.44Å; K50-D75 VanDerWaalsContact NZ-CG 3.33Å; K50-D75 IonicContact NZ-OD1 2.76Å; K50-D75 PolarHBondContact NZ-OD1 2.89Å; K50-D75 IonicContact NZ-OD2 3.82Å; K50-D75 PolarHBondContact NZ-OD2 2.94Å; K50-D75 VanDerWaalsContact NZ-OD2 3.12Å |
| 76 | G | 72.1 | Confident | 77 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 80% | 0.804 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -9.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K74 | K74-G76 PolarHBondContact O-N 2.9Å; K74-G76 VanDerWaalsContact O-N 3.12Å |
| 77 | D | 74.3 | Confident | 76.6 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 31% | 0.31 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -92.3 | 156.1 | -179.2 | -73 | -73.6 | 0 | 0 | 0 | 111.4 | V46 K74 H82 | V46-D77 WeakPolarHBondContact CG2-O 3.46Å; V46-D77 PolarHBondContact N-O 3.2Å; K74-D77 PolarHBondContact O-N 2.73Å; K74-D77 VanDerWaalsContact O-N 3.17Å; D77-H82 IonicContact OD1-NE2 3.81Å; D77-H82 IonicContact OD2-NE2 3.29Å |
| 78 | S | 81.7 | Confident | 76.5 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -93.6 | 150.2 | 171.9 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | S80 Q81 | S78-S80 PolarHBondContact O-N 3.18Å; S78-Q81 PolarHBondContact O-N 3.23Å; S78-Q81 WeakPolarHBondContact OG-CB 3.29Å; S78-Q81 WeakPolarHBondContact OG-CG 3.05Å; S78-Q81 PolarHBondContact OG-N 3.01Å; S78-Q81 PolarHBondContact OG-OE1 3.22Å |
| 79 | L | 76.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -39 | 177.5 | -65.5 | 171.7 | 0 | 0 | 0 | 111.4 | I40 A44 V46 F49 L73 Q81 H82 G83 I84 | I40-L79 HydrophobicContact CD1-CD1 4.11Å; I40-L79 HydrophobicContact CG1-CD1 4.4Å; I40-L79 HydrophobicContact CG2-CD1 3.59Å; A44-L79 HydrophobicContact CB-CD1 4.42Å; A44-L79 PolarHBondContact O-N 2.81Å; V46-L79 HydrophobicContact CG2-CD2 4.16Å; F49-L79 HydrophobicContact CB-CD1 4.11Å; F49-L79 HydrophobicContact CB-CD2 4.23Å; F49-L79 HydrophobicContact CD1-CD2 3.73Å; F49-L79 HydrophobicContact CD2-CD1 4.38Å; F49-L79 HydrophobicContact CE1-CD2 4.29Å; F49-L79 HydrophobicContact CG-CD1 4.14Å; F49-L79 HydrophobicContact CG-CD2 4.07Å; L73-L79 HydrophobicContact CD2-CD2 4.36Å; L79-Q81 PolarHBondContact O-N 2.95Å; L79-H82 PolarHBondContact O-N 3.42Å; L79-G83 PolarHBondContact O-N 2.89Å; L79-I84 HydrophobicContact CB-CB 4.21Å; L79-I84 HydrophobicContact CB-CD1 4.43Å; L79-I84 HydrophobicContact CD2-CD1 3.53Å; L79-I84 WeakPolarHBondContact O-CB 3.42Å; L79-I84 PolarHBondContact O-N 3.09Å; L79-I84 VanDerWaalsContact O-N 3.09Å |
| 80 | S | 69.4 | Low | 77 | Confident | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -46.1 | 173.7 | -76.9 | 0 | 0 | 0 | 0 | 113.9 | E42 S78 H82 G83 | E42-S80 WeakPolarHBondContact CG-OG 3.37Å; E42-S80 PolarHBondContact O-N 3.48Å; E42-S80 PolarHBondContact O-OG 3.4Å; S78-S80 PolarHBondContact O-N 3.18Å; S80-H82 PolarHBondContact O-N 2.82Å; S80-G83 PolarHBondContact O-N 3.39Å |
| 81 | Q | 74.1 | Confident | 77.6 | Confident | 139 Ų | 139 | 66.9 Ų | 66.9 | 65% | 0.65 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -30.3 | -177.6 | -82.5 | 163.8 | -25.8 | 0 | 0 | 113.1 | S78 L79 G83 | S78-Q81 PolarHBondContact O-N 3.23Å; S78-Q81 WeakPolarHBondContact OG-CB 3.29Å; S78-Q81 WeakPolarHBondContact OG-CG 3.05Å; S78-Q81 PolarHBondContact OG-N 3.01Å; S78-Q81 PolarHBondContact OG-OE1 3.22Å; L79-Q81 PolarHBondContact O-N 2.95Å; Q81-G83 VanDerWaalsContact C-N 3.3Å |
| 82 | H | 68.6 | Low | 77.7 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 1 | 176.5 | -79.5 | -75.7 | 0 | 0 | 0 | 113.6 | F68 L73 D77 L79 S80 I84 | F68-H82 HydrophobicContact CD1-CB 4.47Å; F68-H82 WeakPolarHBondContact CD1-O 3.36Å; F68-H82 VanDerWaalsContact CE1-O 3.24Å; F68-H82 WeakPolarHBondContact CE1-O 3.47Å; L73-H82 HydrophobicContact CD1-CB 4.34Å; L73-H82 HydrophobicContact CD2-CB 4.26Å; L73-H82 HydrophobicContact CG-CB 4.39Å; D77-H82 IonicContact OD1-NE2 3.81Å; D77-H82 IonicContact OD2-NE2 3.29Å; L79-H82 PolarHBondContact O-N 3.42Å; S80-H82 PolarHBondContact O-N 2.82Å; H82-I84 HydrophobicContact CB-CG1 4.37Å |
| 83 | G | 70.6 | Confident | 77.7 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 34% | 0.34 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 26.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L79 S80 Q81 K85 L88 | L79-G83 PolarHBondContact O-N 2.89Å; S80-G83 PolarHBondContact O-N 3.39Å; Q81-G83 VanDerWaalsContact C-N 3.3Å; G83-K85 PolarHBondContact O-N 2.91Å; G83-L88 WeakPolarHBondContact O-CD1 3.39Å |
| 84 | I | 76.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | trans | -75.9 | 109.6 | 174.5 | -61.9 | 175.8 | 0 | 0 | 0 | 107.9 | I25 V27 F68 L73 L79 H82 V90 | I25-I84 HydrophobicContact CD1-CG2 4.14Å; I25-I84 WeakPolarHBondContact CD1-O 3.22Å; V27-I84 HydrophobicContact CB-CG2 4.48Å; V27-I84 HydrophobicContact CG1-CG2 3.97Å; V27-I84 HydrophobicContact CG2-CG2 3.6Å; F68-I84 HydrophobicContact CB-CD1 4.32Å; F68-I84 HydrophobicContact CD1-CD1 4.3Å; F68-I84 HydrophobicContact CD1-CG1 3.66Å; F68-I84 HydrophobicContact CD2-CG1 4.19Å; F68-I84 HydrophobicContact CE1-CG1 3.85Å; F68-I84 HydrophobicContact CE2-CG1 4.38Å; F68-I84 HydrophobicContact CG-CD1 4.15Å; F68-I84 HydrophobicContact CG-CG1 3.85Å; F68-I84 HydrophobicContact CZ-CG1 4.22Å; L73-I84 HydrophobicContact CD2-CD1 3.31Å; L79-I84 HydrophobicContact CB-CB 4.21Å; L79-I84 HydrophobicContact CB-CD1 4.43Å; L79-I84 HydrophobicContact CD2-CD1 3.53Å; L79-I84 WeakPolarHBondContact O-CB 3.42Å; L79-I84 PolarHBondContact O-N 3.09Å; L79-I84 VanDerWaalsContact O-N 3.09Å; H82-I84 HydrophobicContact CB-CG1 4.37Å; I84-V90 HydrophobicContact CD1-CG2 3.93Å; I84-V90 HydrophobicContact CG1-CG2 4.46Å; I84-V90 HydrophobicContact CG2-CG2 4.46Å | ||
| 85 | K | 71.9 | Confident | 77.8 | Confident | 132 Ų | 132 | 60.7 Ų | 60.7 | 57% | 0.574 | 35% | 0.351 | S | S | * | . | trans | -111.5 | 169.3 | 178.2 | -61 | -176.6 | 175.7 | -175.4 | 0 | 110.7 | G83 G87 L88 | G83-K85 PolarHBondContact O-N 2.91Å; K85-G87 PolarHBondContact O-N 3.08Å; K85-L88 HydrophobicContact CB-CD1 3.92Å; K85-L88 HydrophobicContact CB-CG 4.25Å; K85-L88 HydrophobicContact CG-CD1 4.44Å; K85-L88 VanDerWaalsContact N-CD1 3.29Å; K85-L88 WeakPolarHBondContact O-CB 3.4Å; K85-L88 WeakPolarHBondContact O-CG 3.03Å; K85-L88 PolarHBondContact O-N 3.1Å; K85-L88 VanDerWaalsContact O-N 3.17Å | ||
| 86 | D | 77.8 | Confident | 77.2 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 51% | 0.508 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 131.8 | 171.4 | -172.5 | -105.5 | 0 | 0 | 0 | 111.5 | I25 K26 L88 | I25-D86 HydrophobicContact CB-CB 4.18Å; I25-D86 HydrophobicContact CG2-CB 4.07Å; K26-D86 WeakPolarHBondContact CB-OD2 3.49Å; K26-D86 PolarHBondContact N-OD2 3.24Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L88 PolarHBondContact O-N 2.88Å |
| 87 | G | 75.3 | Confident | 76.3 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 0.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K26 K85 | K26-G87 PolarHBondContact O-N 3.39Å; K85-G87 PolarHBondContact O-N 3.08Å |
| 88 | L | 83.3 | Confident | 74.6 | Confident | 63 Ų | 63 | 67.9 Ų | 67.9 | 33% | 0.33 | 38% | 0.379 | S | S | . | . | trans | -82.3 | 152.3 | 178.4 | -62.4 | -173.7 | 0 | 0 | 0 | 112.9 | T28 F68 G83 K85 D86 | T28-L88 PolarHBondContact N-O 3.24Å; F68-L88 HydrophobicContact CE2-CB 3.94Å; F68-L88 HydrophobicContact CE2-CD1 4.14Å; F68-L88 HydrophobicContact CZ-CB 4.27Å; F68-L88 HydrophobicContact CZ-CD1 3.58Å; F68-L88 HydrophobicContact CZ-CG 4.49Å; G83-L88 WeakPolarHBondContact O-CD1 3.39Å; K85-L88 HydrophobicContact CB-CD1 3.92Å; K85-L88 HydrophobicContact CB-CG 4.25Å; K85-L88 HydrophobicContact CG-CD1 4.44Å; K85-L88 VanDerWaalsContact N-CD1 3.29Å; K85-L88 WeakPolarHBondContact O-CB 3.4Å; K85-L88 WeakPolarHBondContact O-CG 3.03Å; K85-L88 PolarHBondContact O-N 3.1Å; K85-L88 VanDerWaalsContact O-N 3.17Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L88 PolarHBondContact O-N 2.88Å | ||
| 89 | T | 83.6 | Confident | 72.3 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.1 | -178 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | T28 F68 | T28-T89 HydrophobicContact CG2-CG2 3.95Å; T28-T89 CarbonylContact O-C 3.54Å; T28-T89 VanDerWaalsContact O-CA 3.23Å; T28-T89 WeakPolarHBondContact O-CA 3.12Å; F68-T89 WeakPolarHBondContact CD2-O 3.42Å |
| 90 | V | 86.6 | Confident | 70.5 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132 | 172.5 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | V27 T28 V29 K30 F49 L66 F68 I84 | V27-V90 HydrophobicContact CG1-CB 4.26Å; V27-V90 HydrophobicContact CG1-CG2 3.51Å; T28-V90 PolarHBondContact O-N 2.73Å; V29-V90 CarbonylContact C-O 3.29Å; V29-V90 WeakPolarHBondContact CA-O 3.39Å; K30-V90 PolarHBondContact N-O 2.96Å; F49-V90 HydrophobicContact CE1-CG2 4.44Å; L66-V90 HydrophobicContact CB-CG1 3.92Å; L66-V90 HydrophobicContact CD2-CG1 3.74Å; L66-V90 HydrophobicContact CG-CG1 4.26Å; F68-V90 HydrophobicContact CB-CG1 4.46Å; F68-V90 HydrophobicContact CB-CG2 4.34Å; F68-V90 HydrophobicContact CD2-CG2 3.82Å; F68-V90 HydrophobicContact CG-CG2 4.35Å; I84-V90 HydrophobicContact CD1-CG2 3.93Å; I84-V90 HydrophobicContact CG1-CG2 4.46Å; I84-V90 HydrophobicContact CG2-CG2 4.46Å |
| 91 | H | 86.3 | Confident | 68.9 | Low | 90 Ų | 90 | 82 Ų | 82 | 42% | 0.417 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130.2 | 175.5 | -72.6 | 78.2 | 0 | 0 | 0 | 109.7 | K30 L66 I67 | K30-H91 CarbonylContact O-C 3.59Å; K30-H91 WeakPolarHBondContact O-CA 3.18Å; L66-H91 CarbonylContact C-O 3.52Å; I67-H91 HydrophobicContact CB-CB 4.29Å; I67-H91 PolarHBondContact N-O 2.82Å; I67-H91 PolarHBondContact O-N 3.09Å |
| 92 | L | 82.9 | Confident | 67.1 | Low | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.005 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.6 | -179.3 | 179 | 72 | 0 | 0 | 0 | 110.5 | V29 K30 T31 P32 I53 F57 L64 L66 | V29-L92 HydrophobicContact CG1-CB 3.52Å; V29-L92 HydrophobicContact CG1-CD2 3.85Å; V29-L92 HydrophobicContact CG1-CG 4.27Å; K30-L92 PolarHBondContact O-N 2.97Å; T31-L92 HydrophobicContact CG2-CB 3.81Å; T31-L92 HydrophobicContact CG2-CD2 3.51Å; T31-L92 HydrophobicContact CG2-CG 3.93Å; P32-L92 WeakPolarHBondContact CD-O 3.43Å; I53-L92 HydrophobicContact CG2-CD1 4.05Å; I53-L92 HydrophobicContact CG2-CD2 3.22Å; I53-L92 HydrophobicContact CG2-CG 4.28Å; F57-L92 HydrophobicContact CD2-CD2 4.1Å; F57-L92 HydrophobicContact CE2-CD2 4.31Å; F57-L92 HydrophobicContact CG-CD2 4.2Å; L64-L92 HydrophobicContact CB-CD1 3.97Å; L64-L92 HydrophobicContact CD2-CD1 3.86Å; L64-L92 HydrophobicContact CD2-CD2 3.96Å; L64-L92 HydrophobicContact CD2-CG 4.21Å; L64-L92 HydrophobicContact CG-CD1 4.45Å; L66-L92 HydrophobicContact CD1-CD1 4.24Å; L66-L92 HydrophobicContact CG-CD1 3.96Å |
| 93 | V | 83.4 | Confident | 65.5 | Low | 65 Ų | 65 | 84.3 Ų | 84.3 | 39% | 0.394 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.2 | 175.8 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | V65 I67 | V65-V93 HydrophobicContact CB-CB 4.42Å; V65-V93 PolarHBondContact N-O 3.3Å; V65-V93 PolarHBondContact O-N 3.28Å; I67-V93 HydrophobicContact CD1-CG2 3.7Å |
| 94 | I | 83.3 | Confident | 63.8 | Low | 67 Ų | 67 | 87.5 Ų | 87.5 | 34% | 0.344 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 109.2 | 176.4 | -54.5 | 171.6 | 0 | 0 | 0 | 108 | A59 Q63 L64 T96 | A59-I94 HydrophobicContact CB-CD1 4.13Å; A59-I94 HydrophobicContact CB-CG1 4.49Å; A59-I94 HydrophobicContact CB-CG2 4.13Å; Q63-I94 HydrophobicContact CB-CG2 4.26Å; Q63-I94 CarbonylContact O-C 3.51Å; Q63-I94 WeakPolarHBondContact O-CA 3.39Å; L64-I94 HydrophobicContact CD2-CG1 4.03Å; I94-T96 PolarHBondContact O-N 2.85Å |
| 95 | K | 79.1 | Confident | 62 | Low | 133 Ų | 133 | 92 Ų | 92 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | trans | -73.5 | 115.1 | 170.4 | -72.5 | 175.5 | 171.4 | 171.8 | 0 | 108.4 | Q63 V65 A97 | Q63-K95 WeakPolarHBondContact CB-O 3.2Å; Q63-K95 WeakPolarHBondContact CG-O 3.43Å; Q63-K95 PolarHBondContact O-N 3.01Å; Q63-K95 PolarHBondContact OE1-O 3.37Å; V65-K95 HydrophobicContact CG2-CD 3.78Å; V65-K95 HydrophobicContact CG2-CG 4.15Å; K95-A97 PolarHBondContact O-N 3.19Å; K95-A97 VanDerWaalsContact O-N 3.15Å | ||
| 96 | T | 64.1 | Low | 59.9 | Low | 111 Ų | 111 | 92.9 Ų | 92.9 | 68% | 0.681 | 57% | 0.566 | S | S | * | * | trans | -69.4 | 112.6 | 171.8 | 51.6 | 0 | 0 | 0 | 0 | 108.8 | I94 H98 | I94-T96 PolarHBondContact O-N 2.85Å; T96-H98 PolarHBondContact O-N 3.41Å | ||
| 97 | A | 52.8 | Low | 57.9 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 60% | 0.595 | 58% | 0.582 | S | S | * | * | trans | -61.2 | 110 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q63 K95 K99 | Q63-A97 HydrophobicContact CG-CB 4.33Å; K95-A97 PolarHBondContact O-N 3.19Å; K95-A97 VanDerWaalsContact O-N 3.15Å; A97-K99 PolarHBondContact O-N 2.91Å; A97-K99 VanDerWaalsContact O-N 3.15Å | ||
| 98 | H | 38.5 | Very low | 55.7 | Low | 180 Ų | 180 | 96.7 Ų | 96.7 | 83% | 0.833 | 60% | 0.598 | S | S | * | * | trans | -59 | 121.4 | 163.9 | -83.2 | -62.1 | 0 | 0 | 0 | 107.4 | T96 A100 | T96-H98 PolarHBondContact O-N 3.41Å; H98-A100 VanDerWaalsContact C-N 3.27Å; H98-A100 PolarHBondContact O-N 3.47Å | ||
| 99 | K | 34.3 | Very low | 53.3 | Low | 192 Ų | 192 | 99.1 Ų | 99.1 | 84% | 0.835 | 62% | 0.621 | S | S | * | * | trans | -58.2 | 89.5 | 174.2 | -176.1 | 167.4 | -179.9 | -81.4 | 0 | 108.7 | A97 A101 | A97-K99 PolarHBondContact O-N 2.91Å; A97-K99 VanDerWaalsContact O-N 3.15Å; K99-A101 PolarHBondContact O-N 3.33Å; K99-A101 VanDerWaalsContact O-N 3.15Å | ||
| 100 | A | 38.3 | Very low | 50.8 | Low | 97 Ų | 97 | 101.6 Ų | 101.6 | 80% | 0.802 | 64% | 0.641 | S | S | * | * | trans | -65.8 | 107.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | H98 | H98-A100 VanDerWaalsContact C-N 3.27Å; H98-A100 PolarHBondContact O-N 3.47Å | ||
| 101 | A | 36.8 | Very low | 48.2 | Very low | 84 Ų | 84 | 107 Ų | 107 | 69% | 0.694 | 68% | 0.679 | S | S | * | * | trans | -70.5 | 128.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | K99 | K99-A101 PolarHBondContact O-N 3.33Å; K99-A101 VanDerWaalsContact O-N 3.15Å | ||
| 102 | D | 35.1 | Very low | 45.3 | Very low | 162 Ų | 162 | 109.3 Ų | 109.3 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | trans | -52.6 | 139.9 | 168 | -160.8 | -102.6 | 0 | 0 | 0 | 111.8 | ||||
| 103 | G | 35 | Very low | 42.8 | Very low | 76 Ų | 76 | 114.6 Ų | 114.6 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | trans | -171.2 | 88.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 104 | S | 36.1 | Very low | 40.1 | Very low | 100 Ų | 100 | 118 Ų | 118 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | -73 | 139.1 | -177.8 | -178 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 105 | S | 37.4 | Very low | 37.6 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | 46.9 | 123.9 | 141.9 | 66.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 106 | T | 28.4 | Very low | 35.2 | Very low | 151 Ų | 151 | 122.2 Ų | 122.2 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | -164.3 | 138.7 | 123.8 | 1.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 107 | S | 35.7 | Very low | 33.5 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -80.8 | 154.2 | -175.6 | -46.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 108 | A | 29 | Very low | 32.7 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -173 | 144.6 | 132.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 109 | S | 32.9 | Very low | 32.4 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -104 | -179.9 | -163.5 | -38 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 110 | S | 31.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 103.3 | 138.9 | 157 | 75.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 111 | S | 31.2 | Very low | 31.8 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | cis | -169.1 | 160.3 | 3.2 | 39 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 112 | T | 26.3 | Very low | 31.4 | Very low | 137 Ų | 137 | 118.3 Ų | 118.3 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -56.3 | 140.4 | 175.1 | -39.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 113 | S | 30.8 | Very low | 31.3 | Very low | 113 Ų | 113 | 116 Ų | 116 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | 175.7 | 144.1 | 126.5 | 43.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 114 | T | 26.1 | Very low | 31.7 | Very low | 135 Ų | 135 | 119 Ų | 119 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | trans | -38.1 | 150 | 170.2 | 39 | 0 | 0 | 0 | 0 | 119 | ||||
| 115 | Q | 31.4 | Very low | 31.6 | Very low | 190 Ų | 190 | 119 Ų | 119 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | 169.7 | 131.8 | 104.3 | -175.4 | 162 | 48.4 | 0 | 0 | 115.2 | |||||
| 116 | A | 27.8 | Very low | 31.2 | Very low | 100 Ų | 100 | 119.5 Ų | 119.5 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | 68.3 | 128.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 117 | G | 29.3 | Very low | 31.9 | Very low | 82 Ų | 82 | 119.1 Ų | 119.1 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 172.1 | 81.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 118 | N | 35.1 | Very low | 32.2 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -114.5 | 130.8 | -176.3 | -146.4 | 66.1 | 0 | 0 | 0 | 110.2 | ||||
| 119 | S | 33.1 | Very low | 32.3 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | trans | 48.7 | 150.3 | 141 | -31.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 120 | S | 29.5 | Very low | 33.5 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | cis | -176.6 | 159.3 | 36.9 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 121 | A | 30.1 | Very low | 33.3 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | 51 | 148.7 | 142.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 122 | S | 27.4 | Very low | 33.1 | Very low | 115 Ų | 115 | 119 Ų | 119 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | cis | -177.4 | 161.4 | 43.8 | 44.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 123 | S | 34.3 | Very low | 33.5 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -68.5 | 171.3 | 164.1 | -43.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 124 | P | 43.6 | Very low | 34 | Very low | 139 Ų | 139 | 118.5 Ų | 118.5 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | -151.8 | -176.6 | 92.3 | 36.5 | -14.6 | 0 | 0 | 0 | 116.6 | |||||
| 125 | A | 32.3 | Very low | 34 | Very low | 101 Ų | 101 | 118 Ų | 118 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -109.1 | 170 | -161 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 126 | A | 29.7 | Very low | 33.8 | Very low | 106 Ų | 106 | 113 Ų | 113 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | -172.4 | 148.3 | 144.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 127 | N | 43.5 | Very low | 34.1 | Very low | 143 Ų | 143 | 113.6 Ų | 113.6 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -110.8 | 162.6 | 178.4 | -157.6 | 30.8 | 0 | 0 | 0 | 110.4 | ||||
| 128 | P | 42 | Very low | 34.2 | Very low | 121 Ų | 121 | 113.5 Ų | 113.5 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -150.4 | 171 | 94.3 | 34.7 | -13.3 | 0 | 0 | 0 | 116.9 | |||||
| 129 | A | 31.8 | Very low | 34 | Very low | 83 Ų | 83 | 115.6 Ų | 115.6 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | -92.5 | -164 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 130 | P | 57.4 | Low | 34.1 | Very low | 116 Ų | 116 | 115 Ų | 115 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | -128.4 | -167.2 | -31.3 | 33.9 | -12.5 | 0 | 0 | 0 | 113.9 | ||||
| 131 | T | 27 | Very low | 34.8 | Very low | 120 Ų | 120 | 115 Ų | 115 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | 122.1 | 131 | 143.5 | -6.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 132 | T | 27.3 | Very low | 34.9 | Very low | 129 Ų | 129 | 116 Ų | 116 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 78.3 | 120.1 | 148.9 | 56 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 133 | V | 34.5 | Very low | 35.4 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -58.4 | 173.6 | 155.3 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 134 | P | 41.5 | Very low | 35.7 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | cis | -153.4 | -179.9 | 26.7 | 40.5 | -15.5 | 0 | 0 | 0 | 120.2 | ||||
| 135 | T | 25.4 | Very low | 35.5 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 86.5 | 100.9 | 144.6 | -20.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 136 | G | 27.9 | Very low | 36.2 | Very low | 85 Ų | 85 | 121.7 Ų | 121.7 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | -145 | 105.7 | 150 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 137 | S | 33.8 | Very low | 37 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -103.1 | 136.6 | -172.1 | 47.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 138 | G | 30.9 | Very low | 37.2 | Very low | 80 Ų | 80 | 125.5 Ų | 125.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 84.5 | 144.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 139 | Q | 31.2 | Very low | 37.7 | Very low | 197 Ų | 197 | 126.1 Ų | 126.1 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | cis | -173 | 147.5 | 7.6 | -162.1 | 168.6 | 11.7 | 0 | 0 | 106.8 | ||||
| 140 | A | 35.9 | Very low | 38.4 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -70 | 166.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 141 | P | 43 | Very low | 37.9 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | -141.6 | 143.9 | 54.5 | 28.3 | -4.1 | 0 | 0 | 0 | 115.2 | |||||
| 142 | T | 32.1 | Very low | 38.7 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | 45 | 105.6 | 88.1 | 65.5 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 143 | Q | 37.3 | Very low | 39.4 | Very low | 186 Ų | 186 | 126.6 Ų | 126.6 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | 64.9 | 128.5 | 128 | -60.6 | -167.3 | 36.2 | 0 | 0 | 123.3 | |||||
| 144 | T | 41.5 | Very low | 40.2 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -63.5 | 155.3 | 160.2 | 43.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 145 | P | 40.4 | Very low | 40.7 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -116.4 | 142.6 | 150.3 | 33 | -19.7 | 0 | 0 | 0 | 113.6 | ||||
| 146 | N | 45.5 | Very low | 41.9 | Very low | 155 Ų | 155 | 124 Ų | 124 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -55.8 | 144.3 | 173.1 | -75.8 | 0.7 | 0 | 0 | 0 | 114.6 | ||||
| 147 | I | 47.2 | Very low | 43.1 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -119.1 | 72.1 | 166.5 | -54.1 | 173.4 | 0 | 0 | 0 | 108.8 | ||||
| 148 | M | 48.2 | Very low | 43.7 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | -137.3 | 76.2 | 173.8 | -168.9 | 68.2 | 79.4 | 0 | 0 | 110.9 | ||||
| 149 | S | 51.6 | Low | 44.6 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | trans | -149.2 | 39.1 | 171.2 | -71.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 150 | G | 48 | Very low | 45.5 | Very low | 69 Ų | 69 | 122 Ų | 122 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -126.5 | 11.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G152 | G150-G152 VanDerWaalsContact C-N 3.31Å; G150-G152 PolarHBondContact O-N 2.94Å; G150-G152 VanDerWaalsContact O-N 3.08Å | ||
| 151 | F | 45 | Very low | 46.2 | Very low | 193 Ų | 193 | 122.1 Ų | 122.1 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 60.3 | -172.3 | -160.8 | -97.5 | 0 | 0 | 0 | 112.7 | ||
| 152 | G | 45 | Very low | 46.7 | Very low | 71 Ų | 71 | 125.3 Ų | 125.3 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | -2.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G150 | G150-G152 VanDerWaalsContact C-N 3.31Å; G150-G152 PolarHBondContact O-N 2.94Å; G150-G152 VanDerWaalsContact O-N 3.08Å |
| 153 | D | 42 | Very low | 47.2 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | trans | -113.9 | 23.3 | -167.8 | -139.1 | -88.8 | 0 | 0 | 0 | 114.9 | A155 | D153-A155 PolarHBondContact O-N 3.37Š| ||
| 154 | L | 51.1 | Low | 47.9 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 71% | 0.707 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 30.6 | 176 | -160.8 | 71.6 | 0 | 0 | 0 | 112.9 | L157 | L154-L157 HydrophobicContact CD1-CD2 4.3Š|
| 155 | A | 52.7 | Low | 48.4 | Very low | 90 Ų | 90 | 116.3 Ų | 116.3 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -12.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D153 | D153-A155 PolarHBondContact O-N 3.37Š|
| 156 | S | 50.8 | Low | 49 | Very low | 87 Ų | 87 | 117.2 Ų | 117.2 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -89.5 | -23.2 | -179.2 | -178.1 | 0 | 0 | 0 | 0 | 113.4 | A158 | S156-A158 VanDerWaalsContact C-N 3.31Å; S156-A158 PolarHBondContact O-N 2.85Å |
| 157 | L | 51.3 | Low | 49.5 | Very low | 121 Ų | 121 | 115.1 Ų | 115.1 | 63% | 0.634 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -79.1 | -8.5 | -179.8 | -171.4 | 58.9 | 0 | 0 | 0 | 114.2 | L154 G159 | L154-L157 HydrophobicContact CD1-CD2 4.3Å; L157-G159 PolarHBondContact O-N 3.22Å |
| 158 | A | 46.2 | Very low | 49.9 | Very low | 99 Ų | 99 | 111.6 Ų | 111.6 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -77.8 | -2.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S156 | S156-A158 VanDerWaalsContact C-N 3.31Å; S156-A158 PolarHBondContact O-N 2.85Å |
| 159 | G | 51.7 | Low | 50.8 | Low | 67 Ų | 67 | 111.1 Ų | 111.1 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -100.3 | -6.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | L157 G161 | L157-G159 PolarHBondContact O-N 3.22Å; G159-G161 PolarHBondContact O-N 2.83Å |
| 160 | L | 49.3 | Very low | 51.3 | Low | 142 Ų | 142 | 110 Ų | 110 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -90.3 | 98.4 | 177.5 | -81.7 | 172.4 | 0 | 0 | 0 | 110.4 | M162 | L160-M162 VanDerWaalsContact C-N 3.27Å; L160-M162 PolarHBondContact O-N 3.49Å |
| 161 | G | 50.8 | Low | 51.8 | Low | 85 Ų | 85 | 107.9 Ų | 107.9 | 88% | 0.876 | 67% | 0.668 | S | S | * | * | trans | -55.8 | 80 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | G159 G163 | G159-G161 PolarHBondContact O-N 2.83Å; G161-G163 PolarHBondContact O-N 3.37Å | ||
| 162 | M | 52.4 | Low | 52.8 | Low | 180 Ų | 180 | 103.3 Ų | 103.3 | 89% | 0.887 | 65% | 0.649 | S | S | * | * | trans | -85.3 | 86.7 | 175.1 | -162.6 | -177.7 | -117.6 | 0 | 0 | 109.3 | L160 S164 | L160-M162 VanDerWaalsContact C-N 3.27Å; L160-M162 PolarHBondContact O-N 3.49Å; M162-S164 PolarHBondContact O-N 3.34Å | ||
| 163 | G | 43.8 | Very low | 53.8 | Low | 63 Ų | 63 | 106.6 Ų | 106.6 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | trans | -63.2 | 116.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G161 A165 | G161-G163 PolarHBondContact O-N 3.37Å; G163-A165 VanDerWaalsContact C-N 3.25Å; G163-A165 PolarHBondContact O-N 2.58Å | ||
| 164 | S | 50.7 | Low | 54.5 | Low | 104 Ų | 104 | 105.2 Ų | 105.2 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -13.7 | 2.2 | 162.6 | 62.6 | 0 | 0 | 0 | 0 | 124.4 | M162 | M162-S164 PolarHBondContact O-N 3.34Š|
| 165 | A | 51.9 | Low | 54.8 | Low | 71 Ų | 71 | 100.7 Ų | 100.7 | 59% | 0.587 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -44.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G163 | G163-A165 VanDerWaalsContact C-N 3.25Å; G163-A165 PolarHBondContact O-N 2.58Å |
| 166 | N | 54.8 | Low | 55.3 | Low | 142 Ų | 142 | 105.7 Ų | 105.7 | 76% | 0.759 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -87.6 | -16.8 | -175.2 | -87 | 39 | 0 | 0 | 0 | 114.6 | ||
| 167 | F | 54.3 | Low | 55.7 | Low | 110 Ų | 110 | 106.4 Ų | 106.4 | 48% | 0.482 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -74.8 | -30.4 | 175.8 | -175.1 | -103.6 | 0 | 0 | 0 | 111.7 | Q171 | F167-Q171 WeakPolarHBondContact O-CB 3.49Å; F167-Q171 PolarHBondContact O-N 3.32Å |
| 168 | M | 55.7 | Low | 55.9 | Low | 97 Ų | 97 | 102.7 Ų | 102.7 | 48% | 0.478 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.7 | -36.5 | -176.1 | -164.2 | 132.2 | 164.8 | 0 | 0 | 112.5 | Q172 P212 | M168-Q172 PolarHBondContact O-N 2.87Å; M168-P212 HydrophobicContact CE-CB 3.84Å; M168-P212 HydrophobicContact CE-CG 3.44Å; M168-P212 VanDerWaalsContact CE-CG 3.44Å; M168-P212 HydrophobicContact CG-CG 4.41Å; M168-P212 HydrophobicContact SD-CG 3.96Å |
| 169 | E | 67.3 | Low | 56.4 | Low | 149 Ų | 149 | 103.6 Ų | 103.6 | 70% | 0.696 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.8 | -42.2 | 177.3 | -159.5 | 103.2 | 157.8 | 0 | 0 | 112 | Q172 Q173 | E169-Q172 PolarHBondContact O-N 2.81Å; E169-Q173 PolarHBondContact O-N 3.02Å |
| 170 | L | 63.2 | Low | 57.4 | Low | 111 Ų | 111 | 103.8 Ų | 103.8 | 58% | 0.581 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.2 | -37.6 | 178.2 | -177.2 | 67.4 | 0 | 0 | 0 | 111.7 | Q172 Q173 M174 | L170-Q172 VanDerWaalsContact C-N 3.29Å; L170-Q172 PolarHBondContact O-N 2.77Å; L170-Q173 PolarHBondContact O-N 2.85Å; L170-M174 WeakPolarHBondContact O-CB 3.23Å; L170-M174 PolarHBondContact O-N 3.36Å |
| 171 | Q | 57.8 | Low | 57.2 | Low | 24 Ų | 24 | 100.4 Ų | 100.4 | 11% | 0.112 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 174 | -177.4 | 172.9 | 55.9 | 0 | 0 | 111.2 | F167 Q175 N211 | F167-Q171 WeakPolarHBondContact O-CB 3.49Å; F167-Q171 PolarHBondContact O-N 3.32Å; Q171-Q175 WeakPolarHBondContact O-CB 3.43Å; Q171-Q175 PolarHBondContact O-N 2.94Å; Q171-N211 VanDerWaalsContact CD-CG 3.48Å; Q171-N211 PolarHBondContact NE2-ND2 2.87Å |
| 172 | Q | 66.4 | Low | 57.8 | Low | 97 Ų | 97 | 101 Ų | 101 | 45% | 0.453 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.6 | -36.1 | -179.1 | -152.1 | 168 | 92.4 | 0 | 0 | 112.4 | M168 E169 L170 R176 | M168-Q172 PolarHBondContact O-N 2.87Å; E169-Q172 PolarHBondContact O-N 2.81Å; L170-Q172 VanDerWaalsContact C-N 3.29Å; L170-Q172 PolarHBondContact O-N 2.77Å; Q172-R176 WeakPolarHBondContact O-CG 3.39Å; Q172-R176 PolarHBondContact O-N 2.86Å |
| 173 | Q | 65.8 | Low | 58.9 | Low | 140 Ų | 140 | 99.3 Ų | 99.3 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.2 | -42 | 172.5 | -174.5 | 175.1 | -9.2 | 0 | 0 | 112 | E169 L170 Q175 R176 Q177 | E169-Q173 PolarHBondContact O-N 3.02Å; L170-Q173 PolarHBondContact O-N 2.85Å; Q173-Q175 VanDerWaalsContact C-N 3.33Å; Q173-Q175 PolarHBondContact O-N 3.15Å; Q173-R176 PolarHBondContact O-N 3.33Å; Q173-Q177 PolarHBondContact O-N 3.5Å; Q173-Q177 VanDerWaalsContact O-N 3.09Å |
| 174 | M | 57.5 | Low | 60 | Low | 95 Ų | 95 | 100.5 Ų | 100.5 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 175 | -175.7 | 178.3 | 161.2 | 0 | 0 | 110.9 | L170 R176 Q177 L178 I188 | L170-M174 WeakPolarHBondContact O-CB 3.23Å; L170-M174 PolarHBondContact O-N 3.36Å; M174-R176 PolarHBondContact O-N 3.41Å; M174-Q177 PolarHBondContact O-N 2.81Å; M174-L178 WeakPolarHBondContact O-CB 3.38Å; M174-L178 PolarHBondContact O-N 2.95Å; M174-I188 HydrophobicContact CE-CD1 3.92Å |
| 175 | Q | 55.6 | Low | 60.6 | Low | 41 Ų | 41 | 98.9 Ų | 98.9 | 19% | 0.192 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.8 | -35.5 | 178.9 | -170.2 | 161.1 | 14.1 | 0 | 0 | 112.9 | Q171 Q173 M179 | Q171-Q175 WeakPolarHBondContact O-CB 3.43Å; Q171-Q175 PolarHBondContact O-N 2.94Å; Q173-Q175 VanDerWaalsContact C-N 3.33Å; Q173-Q175 PolarHBondContact O-N 3.15Å; Q175-M179 PolarHBondContact O-N 2.83Å |
| 176 | R | 65.1 | Low | 61.2 | Low | 195 Ų | 195 | 98.1 Ų | 98.1 | 74% | 0.736 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.5 | -38.2 | 174.1 | -67.7 | 178 | 79.4 | -173.7 | 4.5 | 112.5 | Q172 Q173 M174 S180 | Q172-R176 WeakPolarHBondContact O-CG 3.39Å; Q172-R176 PolarHBondContact O-N 2.86Å; Q173-R176 PolarHBondContact O-N 3.33Å; M174-R176 PolarHBondContact O-N 3.41Å; R176-S180 PolarHBondContact O-N 3.31Å; R176-S180 PolarHBondContact O-OG 2.92Å |
| 177 | Q | 58.8 | Low | 61.8 | Low | 101 Ų | 101 | 97.7 Ų | 97.7 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74 | -37.3 | 178.8 | -168.1 | 66.2 | 24 | 0 | 0 | 112.5 | Q173 M174 M179 S180 N181 M184 | Q173-Q177 PolarHBondContact O-N 3.5Å; Q173-Q177 VanDerWaalsContact O-N 3.09Å; M174-Q177 PolarHBondContact O-N 2.81Å; Q177-M179 VanDerWaalsContact C-N 3.33Å; Q177-M179 PolarHBondContact O-N 2.91Å; Q177-S180 WeakPolarHBondContact CA-OG 3.24Å; Q177-S180 PolarHBondContact O-N 3.21Å; Q177-S180 PolarHBondContact O-OG 3.44Å; Q177-N181 WeakPolarHBondContact O-CB 3.45Å; Q177-N181 PolarHBondContact O-N 3.02Å; Q177-M184 HydrophobicContact CG-SD 4.21Å |
| 178 | L | 55.8 | Low | 62.5 | Low | 44 Ų | 44 | 94.9 Ų | 94.9 | 23% | 0.23 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -65.4 | -35.6 | 179 | -162.3 | 78.9 | 0 | 0 | 0 | 111.8 | M174 L185 I188 | M174-L178 WeakPolarHBondContact O-CB 3.38Å; M174-L178 PolarHBondContact O-N 2.95Å; L178-L185 HydrophobicContact CD1-CB 3.9Å; L178-L185 HydrophobicContact CD1-CD1 3.63Å; L178-L185 HydrophobicContact CD1-CG 4.36Å; L178-L185 HydrophobicContact CD2-CD1 3.69Å; L178-L185 HydrophobicContact CG-CB 4.15Å; L178-L185 HydrophobicContact CG-CD1 3.65Å; L178-L185 HydrophobicContact CG-CG 4.38Å; L178-I188 HydrophobicContact CD1-CD1 4.15Å |
| 179 | M | 56.6 | Low | 62.9 | Low | 117 Ų | 117 | 91.5 Ų | 91.5 | 58% | 0.576 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -76.5 | -21.8 | 175 | -76.2 | 176.9 | 160.8 | 0 | 0 | 113.2 | Q175 Q177 F290 | Q175-M179 PolarHBondContact O-N 2.83Å; Q177-M179 VanDerWaalsContact C-N 3.33Å; Q177-M179 PolarHBondContact O-N 2.91Å; M179-F290 HydrophobicContact CB-CE1 4.44Å; M179-F290 HydrophobicContact CB-CZ 4Å; M179-F290 HydrophobicContact CE-CE2 4.29Å; M179-F290 HydrophobicContact CG-CZ 4.26Å; M179-F290 HydrophobicContact SD-CD2 4.49Å; M179-F290 HydrophobicContact SD-CE1 4.43Å; M179-F290 HydrophobicContact SD-CE2 3.28Å; M179-F290 WeakPolarHBondContact SD-CE2 3.13Å; M179-F290 HydrophobicContact SD-CZ 3.25Å; M179-F290 WeakPolarHBondContact SD-CZ 3.31Å |
| 180 | S | 72.8 | Confident | 63.2 | Low | 71 Ų | 71 | 91 Ų | 91 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -88.4 | -21.4 | 174.8 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | R176 Q177 | R176-S180 PolarHBondContact O-N 3.31Å; R176-S180 PolarHBondContact O-OG 2.92Å; Q177-S180 WeakPolarHBondContact CA-OG 3.24Å; Q177-S180 PolarHBondContact O-N 3.21Å; Q177-S180 PolarHBondContact O-OG 3.44Å |
| 181 | N | 45.1 | Very low | 63.8 | Low | 72 Ų | 72 | 89.4 Ų | 89.4 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | trans | -128.5 | 86 | -170.9 | -140.8 | 53.3 | 0 | 0 | 0 | 111.7 | Q177 E183 M184 L185 | Q177-N181 WeakPolarHBondContact O-CB 3.45Å; Q177-N181 PolarHBondContact O-N 3.02Å; N181-E183 PolarHBondContact O-N 3.31Å; N181-M184 HydrophobicContact CB-CB 4.05Å; N181-M184 PolarHBondContact O-N 2.88Å; N181-L185 PolarHBondContact O-N 2.83Å | ||
| 182 | P | 61.8 | Low | 64.6 | Low | 98 Ų | 98 | 92.5 Ų | 92.5 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.5 | -27.2 | -176.7 | 24.7 | -33.5 | 0 | 0 | 0 | 113.4 | L185 S186 | P182-L185 PolarHBondContact O-N 3.36Å; P182-S186 PolarHBondContact O-N 3.07Å |
| 183 | E | 75.6 | Confident | 65.2 | Low | 143 Ų | 143 | 93.8 Ų | 93.8 | 67% | 0.668 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.8 | -29.7 | 172.9 | -90.4 | -104.5 | 107.9 | 0 | 0 | 113.5 | N181 S186 Q187 | N181-E183 PolarHBondContact O-N 3.31Å; E183-S186 WeakPolarHBondContact CA-OG 3.39Å; E183-S186 PolarHBondContact O-OG 3.46Å; E183-Q187 WeakPolarHBondContact O-CB 3.38Å; E183-Q187 PolarHBondContact O-N 3.27Å; E183-Q187 VanDerWaalsContact O-N 3.12Å |
| 184 | M | 67.6 | Low | 65.6 | Low | 89 Ų | 89 | 88.5 Ų | 88.5 | 44% | 0.438 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -76.8 | -34 | 175.1 | -169.7 | 178.1 | -142.7 | 0 | 0 | 110.8 | Q177 N181 Q187 I188 | Q177-M184 HydrophobicContact CG-SD 4.21Å; N181-M184 HydrophobicContact CB-CB 4.05Å; N181-M184 PolarHBondContact O-N 2.88Å; M184-Q187 PolarHBondContact O-N 3.37Å; M184-I188 HydrophobicContact CG-CD1 4.13Å; M184-I188 VanDerWaalsContact O-CB 3.28Å; M184-I188 WeakPolarHBondContact O-CB 3.37Å; M184-I188 WeakPolarHBondContact O-CG1 3.16Å; M184-I188 PolarHBondContact O-N 2.92Å |
| 185 | L | 62.5 | Low | 66 | Low | 69 Ų | 69 | 86.7 Ų | 86.7 | 36% | 0.361 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 173 | 178.5 | 66.9 | 0 | 0 | 0 | 110.7 | L178 N181 P182 I188 M189 | L178-L185 HydrophobicContact CD1-CB 3.9Å; L178-L185 HydrophobicContact CD1-CD1 3.63Å; L178-L185 HydrophobicContact CD1-CG 4.36Å; L178-L185 HydrophobicContact CD2-CD1 3.69Å; L178-L185 HydrophobicContact CG-CB 4.15Å; L178-L185 HydrophobicContact CG-CD1 3.65Å; L178-L185 HydrophobicContact CG-CG 4.38Å; N181-L185 PolarHBondContact O-N 2.83Å; P182-L185 PolarHBondContact O-N 3.36Å; L185-I188 PolarHBondContact O-N 3.42Å; L185-M189 WeakPolarHBondContact O-CB 3.23Å; L185-M189 PolarHBondContact O-N 3.01Å |
| 186 | S | 64.3 | Low | 66.8 | Low | 55 Ų | 55 | 89.8 Ų | 89.8 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.3 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | P182 E183 I188 M189 E190 | P182-S186 PolarHBondContact O-N 3.07Å; E183-S186 WeakPolarHBondContact CA-OG 3.39Å; E183-S186 PolarHBondContact O-OG 3.46Å; S186-I188 PolarHBondContact O-N 3.22Å; S186-M189 CarbonylContact O-C 3.52Å; S186-M189 PolarHBondContact O-N 3.2Å; S186-E190 WeakPolarHBondContact O-CB 3.44Å; S186-E190 PolarHBondContact O-N 3.07Å |
| 187 | Q | 69.1 | Low | 67 | Low | 134 Ų | 134 | 82.6 Ų | 82.6 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.9 | -37.8 | 177.4 | -168.1 | 102.6 | 47.9 | 0 | 0 | 113.1 | E183 M184 N191 | E183-Q187 WeakPolarHBondContact O-CB 3.38Å; E183-Q187 PolarHBondContact O-N 3.27Å; E183-Q187 VanDerWaalsContact O-N 3.12Å; M184-Q187 PolarHBondContact O-N 3.37Å; Q187-N191 PolarHBondContact O-N 2.94Å |
| 188 | I | 67.2 | Low | 67.5 | Low | 50 Ų | 50 | 79.6 Ų | 79.6 | 26% | 0.256 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.6 | -39.5 | 174.6 | -80 | 175.3 | 0 | 0 | 0 | 110.4 | M174 L178 M184 L185 S186 E190 N191 V194 | M174-I188 HydrophobicContact CE-CD1 3.92Å; L178-I188 HydrophobicContact CD1-CD1 4.15Å; M184-I188 HydrophobicContact CG-CD1 4.13Å; M184-I188 VanDerWaalsContact O-CB 3.28Å; M184-I188 WeakPolarHBondContact O-CB 3.37Å; M184-I188 WeakPolarHBondContact O-CG1 3.16Å; M184-I188 PolarHBondContact O-N 2.92Å; L185-I188 PolarHBondContact O-N 3.42Å; S186-I188 PolarHBondContact O-N 3.22Å; I188-E190 VanDerWaalsContact C-N 3.35Å; I188-N191 WeakPolarHBondContact O-CB 3.1Å; I188-N191 PolarHBondContact O-N 3.03Å; I188-V194 HydrophobicContact CG2-CG1 4.28Å; I188-V194 HydrophobicContact CG2-CG2 4.12Å; I188-V194 WeakPolarHBondContact O-CB 3.34Å; I188-V194 WeakPolarHBondContact O-CG1 3.45Å; I188-V194 VanDerWaalsContact O-CG2 3.3Å; I188-V194 WeakPolarHBondContact O-CG2 3.17Å |
| 189 | M | 64.9 | Low | 68.6 | Low | 27 Ų | 27 | 79.2 Ų | 79.2 | 13% | 0.133 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72.7 | -28.5 | 178.8 | -154 | -177.9 | -167.7 | 0 | 0 | 112.5 | L185 S186 N191 M198 M238 A241 R242 | L185-M189 WeakPolarHBondContact O-CB 3.23Å; L185-M189 PolarHBondContact O-N 3.01Å; S186-M189 CarbonylContact O-C 3.52Å; S186-M189 PolarHBondContact O-N 3.2Å; M189-N191 VanDerWaalsContact C-N 3.27Å; M189-M198 HydrophobicContact CE-CE 3.67Å; M189-M198 HydrophobicContact CE-SD 3.49Å; M189-M198 WeakPolarHBondContact CE-SD 3.48Å; M189-M198 HydrophobicContact CG-CE 3.72Å; M189-M198 HydrophobicContact CG-SD 3.46Å; M189-M198 WeakPolarHBondContact CG-SD 3.26Å; M189-M198 HydrophobicContact SD-CE 4.29Å; M189-M198 HydrophobicContact SD-SD 4.29Å; M189-M238 HydrophobicContact CE-CE 4.22Å; M189-M238 HydrophobicContact CE-CG 4.49Å; M189-A241 HydrophobicContact CE-CB 3.91Å; M189-R242 HydrophobicContact CE-CB 4.01Å |
| 190 | E | 72.8 | Confident | 69.6 | Low | 139 Ų | 139 | 77.6 Ų | 77.6 | 65% | 0.65 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15.8 | 170.7 | -111.7 | -164 | 132.8 | 0 | 0 | 113 | S186 I188 P192 | S186-E190 WeakPolarHBondContact O-CB 3.44Å; S186-E190 PolarHBondContact O-N 3.07Å; I188-E190 VanDerWaalsContact C-N 3.35Å; E190-P192 WeakPolarHBondContact O-CD 3.37Å |
| 191 | N | 77.8 | Confident | 69.5 | Low | 77 Ų | 77 | 75.4 Ų | 75.4 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -67.3 | 123.4 | -179.1 | -163.6 | -59.1 | 0 | 0 | 0 | 109.7 | Q187 I188 M189 L193 V194 Q195 | Q187-N191 PolarHBondContact O-N 2.94Å; I188-N191 WeakPolarHBondContact O-CB 3.1Å; I188-N191 PolarHBondContact O-N 3.03Å; M189-N191 VanDerWaalsContact C-N 3.27Å; N191-L193 PolarHBondContact O-N 2.78Å; N191-L193 WeakPolarHBondContact OD1-CB 3.4Å; N191-L193 PolarHBondContact OD1-N 2.66Å; N191-V194 HydrophobicContact CB-CB 4.27Å; N191-V194 HydrophobicContact CB-CG2 4.13Å; N191-V194 CarbonylContact O-C 3.59Å; N191-V194 WeakPolarHBondContact O-CA 3.27Å; N191-V194 PolarHBondContact O-N 3.39Å; N191-Q195 WeakPolarHBondContact O-CB 3.46Å; N191-Q195 PolarHBondContact O-N 3.15Å |
| 192 | P | 73.5 | Confident | 71.3 | Confident | 88 Ų | 88 | 77.8 Ų | 77.8 | 57% | 0.571 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.5 | -25 | -174.6 | 21.9 | -33.6 | 0 | 0 | 0 | 113.6 | E190 N196 | E190-P192 WeakPolarHBondContact O-CD 3.37Å; P192-N196 WeakPolarHBondContact O-CB 3.4Å; P192-N196 PolarHBondContact O-N 3.11Å; P192-N196 PolarHBondContact O-ND2 2.99Å |
| 193 | L | 78.9 | Confident | 72.2 | Confident | 125 Ų | 125 | 76.8 Ų | 76.8 | 65% | 0.654 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.7 | -45.6 | 171.8 | -175.2 | 82.4 | 0 | 0 | 0 | 111.7 | N191 Q195 N196 M197 | N191-L193 PolarHBondContact O-N 2.78Å; N191-L193 WeakPolarHBondContact OD1-CB 3.4Å; N191-L193 PolarHBondContact OD1-N 2.66Å; L193-Q195 VanDerWaalsContact C-N 3.3Å; L193-N196 PolarHBondContact O-N 2.84Å; L193-M197 PolarHBondContact O-N 3.08Å |
| 194 | V | 74.8 | Confident | 71.9 | Confident | 28 Ų | 28 | 71.7 Ų | 71.7 | 17% | 0.17 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72.4 | -31.7 | 177 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | I188 N191 N196 M197 M198 | I188-V194 HydrophobicContact CG2-CG1 4.28Å; I188-V194 HydrophobicContact CG2-CG2 4.12Å; I188-V194 WeakPolarHBondContact O-CB 3.34Å; I188-V194 WeakPolarHBondContact O-CG1 3.45Å; I188-V194 VanDerWaalsContact O-CG2 3.3Å; I188-V194 WeakPolarHBondContact O-CG2 3.17Å; N191-V194 HydrophobicContact CB-CB 4.27Å; N191-V194 HydrophobicContact CB-CG2 4.13Å; N191-V194 CarbonylContact O-C 3.59Å; N191-V194 WeakPolarHBondContact O-CA 3.27Å; N191-V194 PolarHBondContact O-N 3.39Å; V194-N196 VanDerWaalsContact C-N 3.29Å; V194-N196 PolarHBondContact O-N 3.03Å; V194-M197 CarbonylContact O-C 3.42Å; V194-M197 WeakPolarHBondContact O-CA 3.32Å; V194-M197 WeakPolarHBondContact O-CB 3.46Å; V194-M197 PolarHBondContact O-N 3.48Å; V194-M197 VanDerWaalsContact O-N 3.09Å; V194-M198 HydrophobicContact CG1-CE 4.49Å; V194-M198 HydrophobicContact CG1-CG 4.23Å; V194-M198 HydrophobicContact CG1-SD 4.38Å; V194-M198 VanDerWaalsContact O-CB 3.23Å; V194-M198 WeakPolarHBondContact O-CB 3.37Å; V194-M198 WeakPolarHBondContact O-CG 3.45Å; V194-M198 PolarHBondContact O-N 3.36Å |
| 195 | Q | 65.1 | Low | 72.1 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 27% | 0.271 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.7 | -34.7 | 174.1 | -149 | 161.7 | 57.5 | 0 | 0 | 111.4 | N191 L193 S199 R242 | N191-Q195 WeakPolarHBondContact O-CB 3.46Å; N191-Q195 PolarHBondContact O-N 3.15Å; L193-Q195 VanDerWaalsContact C-N 3.3Å; Q195-S199 WeakPolarHBondContact O-CB 3.23Å; Q195-S199 PolarHBondContact O-N 3.43Å; Q195-S199 PolarHBondContact O-OG 3.47Å; Q195-R242 VanDerWaalsContact CG-NH1 3.27Å |
| 196 | N | 72.9 | Confident | 72.6 | Confident | 106 Ų | 106 | 73.6 Ų | 73.6 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -74.3 | -30.4 | 168.2 | -82.9 | -33.4 | 0 | 0 | 0 | 113.3 | P192 L193 V194 S199 N200 | P192-N196 WeakPolarHBondContact O-CB 3.4Å; P192-N196 PolarHBondContact O-N 3.11Å; P192-N196 PolarHBondContact O-ND2 2.99Å; L193-N196 PolarHBondContact O-N 2.84Å; V194-N196 VanDerWaalsContact C-N 3.29Å; V194-N196 PolarHBondContact O-N 3.03Å; N196-S199 VanDerWaalsContact CA-OG 3.29Å; N196-S199 WeakPolarHBondContact CA-OG 3.49Å; N196-S199 PolarHBondContact O-OG 2.8Å; N196-N200 VanDerWaalsContact O-CB 3.31Å; N196-N200 WeakPolarHBondContact O-CB 3.33Å; N196-N200 PolarHBondContact O-N 3.15Å |
| 197 | M | 69.7 | Low | 72.9 | Confident | 44 Ų | 44 | 74.6 Ų | 74.6 | 22% | 0.217 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.9 | -36.7 | 174.6 | -173.3 | 129.4 | 66.7 | 0 | 0 | 112.5 | L193 V194 N200 L203 M207 | L193-M197 PolarHBondContact O-N 3.08Å; V194-M197 CarbonylContact O-C 3.42Å; V194-M197 WeakPolarHBondContact O-CA 3.32Å; V194-M197 WeakPolarHBondContact O-CB 3.46Å; V194-M197 PolarHBondContact O-N 3.48Å; V194-M197 VanDerWaalsContact O-N 3.09Å; M197-N200 VanDerWaalsContact O-O 3.08Å; M197-L203 HydrophobicContact CB-CD2 4.07Å; M197-L203 HydrophobicContact CG-CD2 3.74Å; M197-L203 HydrophobicContact CG-CG 3.76Å; M197-L203 HydrophobicContact SD-CD1 4.17Å; M197-L203 HydrophobicContact SD-CD2 3.56Å; M197-L203 VanDerWaalsContact SD-CD2 3.56Å; M197-L203 HydrophobicContact SD-CG 3.61Å; M197-M207 HydrophobicContact CE-CE 3.35Å; M197-M207 HydrophobicContact CE-SD 4.14Å; M197-M207 HydrophobicContact SD-CE 3.64Å; M197-M207 HydrophobicContact SD-SD 4.33Å |
| 198 | M | 69.5 | Low | 73.1 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 19% | 0.187 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -79.4 | -35.2 | 177.5 | -83.9 | -166.9 | 168.4 | 0 | 0 | 112.7 | M189 V194 N200 M204 M238 | M189-M198 HydrophobicContact CE-CE 3.67Å; M189-M198 HydrophobicContact CE-SD 3.49Å; M189-M198 WeakPolarHBondContact CE-SD 3.48Å; M189-M198 HydrophobicContact CG-CE 3.72Å; M189-M198 HydrophobicContact CG-SD 3.46Å; M189-M198 WeakPolarHBondContact CG-SD 3.26Å; M189-M198 HydrophobicContact SD-CE 4.29Å; M189-M198 HydrophobicContact SD-SD 4.29Å; V194-M198 HydrophobicContact CG1-CE 4.49Å; V194-M198 HydrophobicContact CG1-CG 4.23Å; V194-M198 HydrophobicContact CG1-SD 4.38Å; V194-M198 VanDerWaalsContact O-CB 3.23Å; V194-M198 WeakPolarHBondContact O-CB 3.37Å; V194-M198 WeakPolarHBondContact O-CG 3.45Å; V194-M198 PolarHBondContact O-N 3.36Å; M198-N200 PolarHBondContact O-N 2.94Å; M198-M204 HydrophobicContact CG-SD 4.44Å; M198-M238 HydrophobicContact CB-CE 4.14Å; M198-M238 HydrophobicContact CB-CG 4.36Å; M198-M238 HydrophobicContact CB-SD 3.36Å; M198-M238 WeakPolarHBondContact CB-SD 3.47Å; M198-M238 HydrophobicContact CE-CE 3.15Å; M198-M238 HydrophobicContact CE-SD 4.34Å; M198-M238 HydrophobicContact CG-CE 3.44Å; M198-M238 VanDerWaalsContact CG-CE 3.44Å; M198-M238 HydrophobicContact CG-SD 3.37Å; M198-M238 WeakPolarHBondContact CG-SD 3.44Å; M198-M238 HydrophobicContact SD-CE 3.21Å; M198-M238 WeakPolarHBondContact SD-CE 3.5Å; M198-M238 HydrophobicContact SD-CG 4.23Å; M198-M238 HydrophobicContact SD-SD 3.66Å; M198-M238 VanDerWaalsContact SD-SD 3.66Å |
| 199 | S | 77.7 | Confident | 73.6 | Confident | 36 Ų | 36 | 71 Ų | 71 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70 | -20.2 | 174.5 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | Q195 N196 P201 R235 | Q195-S199 WeakPolarHBondContact O-CB 3.23Å; Q195-S199 PolarHBondContact O-N 3.43Å; Q195-S199 PolarHBondContact O-OG 3.47Å; N196-S199 VanDerWaalsContact CA-OG 3.29Å; N196-S199 WeakPolarHBondContact CA-OG 3.49Å; N196-S199 PolarHBondContact O-OG 2.8Å; S199-P201 VanDerWaalsContact O-CD 3.25Å; S199-P201 WeakPolarHBondContact O-CD 3.22Å; S199-R235 PolarHBondContact O-NH2 3.02Å |
| 200 | N | 79 | Confident | 74.3 | Confident | 83 Ų | 83 | 72.3 Ų | 72.3 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | trans | -96.2 | 100.1 | 177.1 | -78.4 | 4.6 | 0 | 0 | 0 | 111.2 | N196 M197 M198 D202 L203 M204 | N196-N200 VanDerWaalsContact O-CB 3.31Å; N196-N200 WeakPolarHBondContact O-CB 3.33Å; N196-N200 PolarHBondContact O-N 3.15Å; M197-N200 VanDerWaalsContact O-O 3.08Å; M198-N200 PolarHBondContact O-N 2.94Å; N200-D202 PolarHBondContact O-N 3.07Å; N200-L203 HydrophobicContact CB-CB 3.98Å; N200-L203 PolarHBondContact O-N 2.98Å; N200-M204 PolarHBondContact O-N 2.76Å | ||
| 201 | P | 70.7 | Confident | 73.8 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.2 | -30.2 | -177 | 26.7 | -35.2 | 0 | 0 | 0 | 112.6 | S199 R205 P231 | S199-P201 VanDerWaalsContact O-CD 3.25Å; S199-P201 WeakPolarHBondContact O-CD 3.22Å; P201-R205 VanDerWaalsContact O-CB 3.27Å; P201-R205 WeakPolarHBondContact O-CB 3.48Å; P201-R205 WeakPolarHBondContact O-CG 3.42Å; P201-R205 PolarHBondContact O-N 2.82Å; P201-P231 HydrophobicContact CB-CB 4.01Å; P201-P231 HydrophobicContact CG-CB 4.4Å |
| 202 | D | 82.5 | Confident | 73.6 | Confident | 121 Ų | 121 | 64.6 Ų | 64.6 | 65% | 0.647 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.8 | -40.8 | 176.8 | -67.7 | -66.6 | 0 | 0 | 0 | 112.6 | N200 R205 Q206 | N200-D202 PolarHBondContact O-N 3.07Å; D202-R205 PolarHBondContact O-N 3.47Å; D202-Q206 WeakPolarHBondContact O-CB 3.14Å; D202-Q206 PolarHBondContact O-N 3.47Å |
| 203 | L | 80.1 | Confident | 73.5 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 41% | 0.408 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.5 | -36 | 178 | -176.3 | 56.4 | 0 | 0 | 0 | 111.1 | M197 N200 Q206 M207 | M197-L203 HydrophobicContact CB-CD2 4.07Å; M197-L203 HydrophobicContact CG-CD2 3.74Å; M197-L203 HydrophobicContact CG-CG 3.76Å; M197-L203 HydrophobicContact SD-CD1 4.17Å; M197-L203 HydrophobicContact SD-CD2 3.56Å; M197-L203 VanDerWaalsContact SD-CD2 3.56Å; M197-L203 HydrophobicContact SD-CG 3.61Å; N200-L203 HydrophobicContact CB-CB 3.98Å; N200-L203 PolarHBondContact O-N 2.98Å; L203-Q206 WeakPolarHBondContact O-CB 3.35Å; L203-Q206 PolarHBondContact O-N 2.91Å; L203-M207 WeakPolarHBondContact O-CB 3.23Å; L203-M207 PolarHBondContact O-N 3.45Å |
| 204 | M | 69 | Low | 72.9 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 173.9 | -158.8 | 177.6 | 169.2 | 0 | 0 | 111.7 | M198 N200 Q206 M207 I208 M234 M238 | M198-M204 HydrophobicContact CG-SD 4.44Å; N200-M204 PolarHBondContact O-N 2.76Å; M204-Q206 VanDerWaalsContact C-N 3.28Å; M204-Q206 PolarHBondContact O-N 2.84Å; M204-M207 PolarHBondContact O-N 3.34Å; M204-M207 VanDerWaalsContact O-N 3.15Å; M204-I208 HydrophobicContact CE-CD1 4.14Å; M204-I208 HydrophobicContact CG-CD1 3.84Å; M204-I208 HydrophobicContact CG-CG1 4.43Å; M204-I208 WeakPolarHBondContact O-CB 3.34Å; M204-I208 VanDerWaalsContact O-CD1 3.3Å; M204-I208 WeakPolarHBondContact O-CD1 3.36Å; M204-I208 WeakPolarHBondContact O-CG1 3.48Å; M204-I208 PolarHBondContact O-N 3.16Å; M204-M234 HydrophobicContact CB-CE 4.02Å; M204-M234 HydrophobicContact CE-CE 3.48Å; M204-M234 VanDerWaalsContact CE-CE 3.48Å; M204-M234 HydrophobicContact CG-CE 3.54Å; M204-M234 HydrophobicContact SD-CE 3.2Å; M204-M234 WeakPolarHBondContact SD-CE 3.07Å; M204-M238 HydrophobicContact CE-CE 3.15Å; M204-M238 HydrophobicContact CE-SD 3.83Å; M204-M238 HydrophobicContact SD-CE 3.51Å; M204-M238 VanDerWaalsContact SD-CE 3.51Å; M204-M238 HydrophobicContact SD-SD 3.29Å |
| 205 | R | 72.8 | Confident | 72.9 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.1 | -43.4 | 169.5 | -94.2 | 173.6 | 157.3 | 162.7 | -13.4 | 111.8 | P201 D202 M207 I208 M209 L228 N229 | P201-R205 VanDerWaalsContact O-CB 3.27Å; P201-R205 WeakPolarHBondContact O-CB 3.48Å; P201-R205 WeakPolarHBondContact O-CG 3.42Å; P201-R205 PolarHBondContact O-N 2.82Å; D202-R205 PolarHBondContact O-N 3.47Å; R205-M207 VanDerWaalsContact C-N 3.35Å; R205-I208 PolarHBondContact O-N 3.05Å; R205-M209 WeakPolarHBondContact O-CB 3.09Å; R205-M209 WeakPolarHBondContact O-CG 3.42Å; R205-M209 PolarHBondContact O-N 3Å; R205-L228 VanDerWaalsContact CZ-O 3.24Å; R205-L228 PolarHBondContact NE-O 2.82Å; R205-L228 PolarHBondContact NH2-O 3.26Å; R205-N229 VanDerWaalsContact NH2-C 3.3Å; R205-N229 PolarHBondContact NH2-O 3.46Å |
| 206 | Q | 73.4 | Confident | 73.3 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 61% | 0.607 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 176.4 | -166.9 | 72.4 | 33.6 | 0 | 0 | 111.3 | D202 L203 M204 I208 A210 | D202-Q206 WeakPolarHBondContact O-CB 3.14Å; D202-Q206 PolarHBondContact O-N 3.47Å; L203-Q206 WeakPolarHBondContact O-CB 3.35Å; L203-Q206 PolarHBondContact O-N 2.91Å; M204-Q206 VanDerWaalsContact C-N 3.28Å; M204-Q206 PolarHBondContact O-N 2.84Å; Q206-I208 VanDerWaalsContact C-N 3.34Å; Q206-A210 WeakPolarHBondContact O-CA 3.45Å; Q206-A210 WeakPolarHBondContact O-CB 3.13Å; Q206-A210 PolarHBondContact O-N 3.42Å |
| 207 | M | 70.6 | Confident | 73 | Confident | 76 Ų | 76 | 63.4 Ų | 63.4 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.8 | -34.9 | 176.7 | 177.8 | 164.4 | -81.6 | 0 | 0 | 112.2 | M197 L203 M204 R205 A210 N211 | M197-M207 HydrophobicContact CE-CE 3.35Å; M197-M207 HydrophobicContact CE-SD 4.14Å; M197-M207 HydrophobicContact SD-CE 3.64Å; M197-M207 HydrophobicContact SD-SD 4.33Å; L203-M207 WeakPolarHBondContact O-CB 3.23Å; L203-M207 PolarHBondContact O-N 3.45Å; M204-M207 PolarHBondContact O-N 3.34Å; M204-M207 VanDerWaalsContact O-N 3.15Å; R205-M207 VanDerWaalsContact C-N 3.35Å; M207-A210 PolarHBondContact O-N 3.5Å; M207-N211 VanDerWaalsContact O-CB 3.31Å; M207-N211 WeakPolarHBondContact O-CB 3.5Å; M207-N211 PolarHBondContact O-N 3.47Å |
| 208 | I | 73.1 | Confident | 73.1 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -75.3 | -43.5 | 179.7 | -69.4 | 166 | 0 | 0 | 0 | 111.2 | M204 R205 Q206 A210 N211 M214 L228 M234 | M204-I208 HydrophobicContact CE-CD1 4.14Å; M204-I208 HydrophobicContact CG-CD1 3.84Å; M204-I208 HydrophobicContact CG-CG1 4.43Å; M204-I208 WeakPolarHBondContact O-CB 3.34Å; M204-I208 VanDerWaalsContact O-CD1 3.3Å; M204-I208 WeakPolarHBondContact O-CD1 3.36Å; M204-I208 WeakPolarHBondContact O-CG1 3.48Å; M204-I208 PolarHBondContact O-N 3.16Å; R205-I208 PolarHBondContact O-N 3.05Å; Q206-I208 VanDerWaalsContact C-N 3.34Å; I208-A210 VanDerWaalsContact C-N 3.3Å; I208-N211 PolarHBondContact O-N 2.91Å; I208-N211 VanDerWaalsContact O-N 3.16Å; I208-N211 VanDerWaalsContact O-O 3.1Å; I208-M214 HydrophobicContact CB-CE 4.39Å; I208-M214 HydrophobicContact CB-SD 4.09Å; I208-M214 HydrophobicContact CD1-CE 3.73Å; I208-M214 HydrophobicContact CD1-SD 4.28Å; I208-M214 HydrophobicContact CG1-CE 3.74Å; I208-M214 HydrophobicContact CG1-SD 3.61Å; I208-M214 HydrophobicContact CG2-CB 4.11Å; I208-M214 HydrophobicContact CG2-CE 3.81Å; I208-M214 HydrophobicContact CG2-CG 3.64Å; I208-M214 HydrophobicContact CG2-SD 3.69Å; I208-L228 HydrophobicContact CD1-CD2 3.47Å; I208-L228 VanDerWaalsContact CD1-CD2 3.47Å; I208-L228 HydrophobicContact CG2-CD1 3.63Å; I208-L228 HydrophobicContact CG2-CD2 4.37Å; I208-M234 HydrophobicContact CD1-CE 3.19Å |
| 209 | M | 77.9 | Confident | 73.4 | Confident | 102 Ų | 102 | 68.3 Ų | 68.3 | 50% | 0.502 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.1 | -30.1 | 170.8 | -74 | -175.1 | 170.3 | 0 | 0 | 111.4 | R205 N211 Q215 | R205-M209 WeakPolarHBondContact O-CB 3.09Å; R205-M209 WeakPolarHBondContact O-CG 3.42Å; R205-M209 PolarHBondContact O-N 3Å; M209-N211 PolarHBondContact O-N 3.2Å; M209-Q215 PolarHBondContact O-NE2 3.09Å |
| 210 | A | 78.6 | Confident | 73.5 | Confident | 54 Ų | 54 | 76 Ų | 76 | 45% | 0.446 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -74.7 | -15.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q206 M207 I208 P212 | Q206-A210 WeakPolarHBondContact O-CA 3.45Å; Q206-A210 WeakPolarHBondContact O-CB 3.13Å; Q206-A210 PolarHBondContact O-N 3.42Å; M207-A210 PolarHBondContact O-N 3.5Å; I208-A210 VanDerWaalsContact C-N 3.3Å; A210-P212 VanDerWaalsContact O-CD 3.28Å; A210-P212 WeakPolarHBondContact O-CD 3.35Å |
| 211 | N | 61.2 | Low | 72.5 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 11% | 0.107 | 37% | 0.366 | C | S | . | . | trans | -92 | 105.9 | 177.7 | -167.6 | -24.6 | 0 | 0 | 0 | 110.5 | Q171 M207 I208 M209 Q213 M214 Q215 | Q171-N211 VanDerWaalsContact CD-CG 3.48Å; Q171-N211 PolarHBondContact NE2-ND2 2.87Å; M207-N211 VanDerWaalsContact O-CB 3.31Å; M207-N211 WeakPolarHBondContact O-CB 3.5Å; M207-N211 PolarHBondContact O-N 3.47Å; I208-N211 PolarHBondContact O-N 2.91Å; I208-N211 VanDerWaalsContact O-N 3.16Å; I208-N211 VanDerWaalsContact O-O 3.1Å; M209-N211 PolarHBondContact O-N 3.2Å; N211-Q213 PolarHBondContact O-N 3.15Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.27Å; N211-Q213 PolarHBondContact OD1-N 3.43Å; N211-Q213 VanDerWaalsContact OD1-N 3.08Å; N211-M214 HydrophobicContact CB-CB 4.03Å; N211-M214 PolarHBondContact O-N 3.49Å; N211-Q215 PolarHBondContact O-N 3.21Å | ||
| 212 | P | 75.3 | Confident | 72.8 | Confident | 33 Ų | 33 | 77.6 Ų | 77.6 | 21% | 0.214 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.2 | -28.3 | -177.3 | 27.6 | -36 | 0 | 0 | 0 | 112.6 | M168 A210 M214 Q216 | M168-P212 HydrophobicContact CE-CB 3.84Å; M168-P212 HydrophobicContact CE-CG 3.44Å; M168-P212 VanDerWaalsContact CE-CG 3.44Å; M168-P212 HydrophobicContact CG-CG 4.41Å; M168-P212 HydrophobicContact SD-CG 3.96Å; A210-P212 VanDerWaalsContact O-CD 3.28Å; A210-P212 WeakPolarHBondContact O-CD 3.35Å; P212-M214 VanDerWaalsContact C-N 3.33Å; P212-Q216 PolarHBondContact O-N 2.94Å |
| 213 | Q | 69.8 | Low | 72.5 | Confident | 63 Ų | 63 | 78.8 Ų | 78.8 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.6 | -30.2 | 175.2 | -112.5 | 177.8 | -55.9 | 0 | 0 | 112.2 | N211 L217 | N211-Q213 PolarHBondContact O-N 3.15Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.27Å; N211-Q213 PolarHBondContact OD1-N 3.43Å; N211-Q213 VanDerWaalsContact OD1-N 3.08Å; Q213-L217 PolarHBondContact O-N 3.49Å |
| 214 | M | 66.6 | Low | 72 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 22% | 0.222 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -84.6 | -26 | 178 | -156.8 | 157.5 | 168.4 | 0 | 0 | 112.1 | I208 N211 P212 L217 M218 L228 | I208-M214 HydrophobicContact CB-CE 4.39Å; I208-M214 HydrophobicContact CB-SD 4.09Å; I208-M214 HydrophobicContact CD1-CE 3.73Å; I208-M214 HydrophobicContact CD1-SD 4.28Å; I208-M214 HydrophobicContact CG1-CE 3.74Å; I208-M214 HydrophobicContact CG1-SD 3.61Å; I208-M214 HydrophobicContact CG2-CB 4.11Å; I208-M214 HydrophobicContact CG2-CE 3.81Å; I208-M214 HydrophobicContact CG2-CG 3.64Å; I208-M214 HydrophobicContact CG2-SD 3.69Å; N211-M214 HydrophobicContact CB-CB 4.03Å; N211-M214 PolarHBondContact O-N 3.49Å; P212-M214 VanDerWaalsContact C-N 3.33Å; M214-L217 PolarHBondContact O-N 3.5Å; M214-M218 WeakPolarHBondContact O-CB 3.25Å; M214-M218 PolarHBondContact O-N 3.12Å; M214-L228 HydrophobicContact CE-CD1 4.32Å; M214-L228 HydrophobicContact CE-CD2 4.31Å |
| 215 | Q | 74.4 | Confident | 72.1 | Confident | 92 Ų | 92 | 76.5 Ų | 76.5 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 165.1 | -71.1 | -174.6 | 3.6 | 0 | 0 | 111.2 | M209 N211 L217 M218 E219 | M209-Q215 PolarHBondContact O-NE2 3.09Å; N211-Q215 PolarHBondContact O-N 3.21Å; Q215-L217 PolarHBondContact O-N 3.26Å; Q215-M218 CarbonylContact O-C 3.59Å; Q215-M218 WeakPolarHBondContact O-CA 3.29Å; Q215-M218 WeakPolarHBondContact O-CB 3.41Å; Q215-M218 PolarHBondContact O-N 3.28Å; Q215-E219 VanDerWaalsContact C-OE2 3.3Å; Q215-E219 WeakPolarHBondContact O-CG 3.33Å; Q215-E219 PolarHBondContact O-N 3.43Å |
| 216 | Q | 75.1 | Confident | 72.4 | Confident | 118 Ų | 118 | 79.2 Ų | 79.2 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.2 | -35.1 | 175.8 | -71.3 | 175.3 | -18.9 | 0 | 0 | 112.4 | P212 E219 R220 | P212-Q216 PolarHBondContact O-N 2.94Å; Q216-E219 WeakPolarHBondContact CA-OE2 3.32Å; Q216-E219 PolarHBondContact N-OE2 2.91Å; Q216-R220 VanDerWaalsContact O-CB 3.29Å; Q216-R220 WeakPolarHBondContact O-CB 3.29Å; Q216-R220 WeakPolarHBondContact O-CG 3.34Å; Q216-R220 PolarHBondContact O-N 3.16Å |
| 217 | L | 66.1 | Low | 72.3 | Confident | 62 Ų | 62 | 75.3 Ų | 75.3 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -72.2 | -35.3 | 175.8 | -170.1 | 65.2 | 0 | 0 | 0 | 112.3 | Q213 M214 Q215 R220 N221 I224 | Q213-L217 PolarHBondContact O-N 3.49Å; M214-L217 PolarHBondContact O-N 3.5Å; Q215-L217 PolarHBondContact O-N 3.26Å; L217-R220 PolarHBondContact O-N 2.8Å; L217-N221 WeakPolarHBondContact O-CB 3.47Å; L217-N221 PolarHBondContact O-N 3.05Å; L217-I224 HydrophobicContact CD1-CD1 4.06Å; L217-I224 HydrophobicContact CD2-CD1 3.75Å; L217-I224 HydrophobicContact CG-CD1 3.58Å |
| 218 | M | 72.2 | Confident | 72.4 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.6 | -30.3 | 175.9 | -161.7 | 172.1 | 179.7 | 0 | 0 | 112.1 | M214 Q215 L228 | M214-M218 WeakPolarHBondContact O-CB 3.25Å; M214-M218 PolarHBondContact O-N 3.12Å; Q215-M218 CarbonylContact O-C 3.59Å; Q215-M218 WeakPolarHBondContact O-CA 3.29Å; Q215-M218 WeakPolarHBondContact O-CB 3.41Å; Q215-M218 PolarHBondContact O-N 3.28Å; M218-L228 HydrophobicContact CE-CB 3.91Å; M218-L228 HydrophobicContact CE-CD1 4.05Å; M218-L228 HydrophobicContact CG-CD1 4.06Å; M218-L228 HydrophobicContact SD-CD1 3.62Å |
| 219 | E | 76.3 | Confident | 72.8 | Confident | 149 Ų | 149 | 75.2 Ų | 75.2 | 70% | 0.696 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -76.2 | -35.3 | 172.2 | -69.1 | 168.3 | 99.3 | 0 | 0 | 112.1 | Q215 Q216 | Q215-E219 VanDerWaalsContact C-OE2 3.3Å; Q215-E219 WeakPolarHBondContact O-CG 3.33Å; Q215-E219 PolarHBondContact O-N 3.43Å; Q216-E219 WeakPolarHBondContact CA-OE2 3.32Å; Q216-E219 PolarHBondContact N-OE2 2.91Å |
| 220 | R | 78.3 | Confident | 73 | Confident | 196 Ų | 196 | 74.9 Ų | 74.9 | 74% | 0.74 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -81.7 | -24.9 | 179.7 | -73 | -179.3 | 80.3 | 78.4 | 2.3 | 113.5 | Q216 L217 | Q216-R220 VanDerWaalsContact O-CB 3.29Å; Q216-R220 WeakPolarHBondContact O-CB 3.29Å; Q216-R220 WeakPolarHBondContact O-CG 3.34Å; Q216-R220 PolarHBondContact O-N 3.16Å; L217-R220 PolarHBondContact O-N 2.8Å |
| 221 | N | 58.4 | Low | 72.8 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 32% | 0.316 | 37% | 0.369 | S | S | . | . | trans | -131.1 | 100 | -177.7 | -156 | -19.3 | 0 | 0 | 0 | 111.3 | L217 E223 I224 S225 | L217-N221 WeakPolarHBondContact O-CB 3.47Å; L217-N221 PolarHBondContact O-N 3.05Å; N221-E223 PolarHBondContact O-N 2.91Å; N221-E223 WeakPolarHBondContact OD1-CB 3.34Å; N221-E223 PolarHBondContact OD1-N 2.82Å; N221-I224 HydrophobicContact CB-CB 4.25Å; N221-I224 HydrophobicContact CB-CD1 3.86Å; N221-I224 HydrophobicContact CB-CG1 3.99Å; N221-I224 WeakPolarHBondContact O-CB 3.41Å; N221-I224 PolarHBondContact O-N 3.19Å; N221-S225 PolarHBondContact O-N 3.48Å | ||
| 222 | P | 78 | Confident | 73.7 | Confident | 84 Ų | 84 | 79.4 Ų | 79.4 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -22 | -179 | 26.4 | -33.9 | 0 | 0 | 0 | 112.6 | S225 H226 | P222-S225 WeakPolarHBondContact O-CB 3.46Å; P222-S225 PolarHBondContact O-N 3.22Å; P222-H226 PolarHBondContact O-CD2 3.43Å; P222-H226 PolarHBondContact O-N 3.21Å |
| 223 | E | 76.1 | Confident | 73.9 | Confident | 146 Ų | 146 | 81.1 Ų | 81.1 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.1 | -37.5 | 173 | -66.8 | -104.8 | 116.4 | 0 | 0 | 111.7 | N221 S225 H226 M227 | N221-E223 PolarHBondContact O-N 2.91Å; N221-E223 WeakPolarHBondContact OD1-CB 3.34Å; N221-E223 PolarHBondContact OD1-N 2.82Å; E223-S225 VanDerWaalsContact C-N 3.31Å; E223-H226 CarbonylContact O-C 3.53Å; E223-H226 PolarHBondContact O-N 2.87Å; E223-M227 WeakPolarHBondContact O-CB 3.34Å; E223-M227 PolarHBondContact O-N 3.18Å |
| 224 | I | 67.9 | Low | 73.8 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 17% | 0.169 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 174.3 | -66.4 | 177.8 | 0 | 0 | 0 | 109.2 | L217 N221 H226 M227 L228 | L217-I224 HydrophobicContact CD1-CD1 4.06Å; L217-I224 HydrophobicContact CD2-CD1 3.75Å; L217-I224 HydrophobicContact CG-CD1 3.58Å; N221-I224 HydrophobicContact CB-CB 4.25Å; N221-I224 HydrophobicContact CB-CD1 3.86Å; N221-I224 HydrophobicContact CB-CG1 3.99Å; N221-I224 WeakPolarHBondContact O-CB 3.41Å; N221-I224 PolarHBondContact O-N 3.19Å; I224-H226 VanDerWaalsContact C-N 3.34Å; I224-H226 PolarHBondContact O-N 3.16Å; I224-M227 PolarHBondContact O-N 3.29Å; I224-L228 HydrophobicContact CG2-CD1 3.72Å; I224-L228 HydrophobicContact CG2-CG 4.14Å; I224-L228 VanDerWaalsContact O-CB 3.29Å; I224-L228 WeakPolarHBondContact O-CB 3.47Å; I224-L228 WeakPolarHBondContact O-CG 3.36Å; I224-L228 PolarHBondContact O-N 3.34Å |
| 225 | S | 71.9 | Confident | 74.2 | Confident | 32 Ų | 32 | 81.9 Ų | 81.9 | 22% | 0.224 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 170.6 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | N221 P222 E223 L228 N229 | N221-S225 PolarHBondContact O-N 3.48Å; P222-S225 WeakPolarHBondContact O-CB 3.46Å; P222-S225 PolarHBondContact O-N 3.22Å; E223-S225 VanDerWaalsContact C-N 3.31Å; S225-L228 PolarHBondContact O-N 2.8Å; S225-N229 WeakPolarHBondContact O-CB 3.47Å; S225-N229 PolarHBondContact O-N 3.06Å; S225-N229 PolarHBondContact O-ND2 2.86Å; S225-N229 PolarHBondContact OG-ND2 3.3Å |
| 226 | H | 79.5 | Confident | 74.3 | Confident | 125 Ų | 125 | 83.4 Ų | 83.4 | 58% | 0.579 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.1 | -38.1 | 175.3 | -78.4 | -60.7 | 0 | 0 | 0 | 113.1 | P222 E223 I224 N229 N230 | P222-H226 PolarHBondContact O-CD2 3.43Å; P222-H226 PolarHBondContact O-N 3.21Å; E223-H226 CarbonylContact O-C 3.53Å; E223-H226 PolarHBondContact O-N 2.87Å; I224-H226 VanDerWaalsContact C-N 3.34Å; I224-H226 PolarHBondContact O-N 3.16Å; H226-N229 PolarHBondContact O-N 3.29Å; H226-N230 VanDerWaalsContact O-CB 3.29Å; H226-N230 WeakPolarHBondContact O-CB 3.44Å; H226-N230 PolarHBondContact O-N 2.8Å |
| 227 | M | 70.6 | Confident | 74.1 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 23% | 0.232 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 175 | -169.2 | -170.6 | 82.7 | 0 | 0 | 111.9 | E223 I224 N229 N230 L233 T237 | E223-M227 WeakPolarHBondContact O-CB 3.34Å; E223-M227 PolarHBondContact O-N 3.18Å; I224-M227 PolarHBondContact O-N 3.29Å; M227-N229 VanDerWaalsContact C-N 3.3Å; M227-N230 CarbonylContact O-C 3.51Å; M227-N230 PolarHBondContact O-N 3.23Å; M227-L233 HydrophobicContact CB-CD2 4.15Å; M227-L233 HydrophobicContact CG-CD2 4.07Å; M227-L233 HydrophobicContact CG-CG 3.98Å; M227-T237 HydrophobicContact SD-CG2 3.91Å |
| 228 | L | 74.1 | Confident | 74.2 | Confident | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -73.7 | -25 | 177 | -66 | 176.5 | 0 | 0 | 0 | 112.7 | R205 I208 M214 M218 I224 S225 N230 M234 | R205-L228 VanDerWaalsContact CZ-O 3.24Å; R205-L228 PolarHBondContact NE-O 2.82Å; R205-L228 PolarHBondContact NH2-O 3.26Å; I208-L228 HydrophobicContact CD1-CD2 3.47Å; I208-L228 VanDerWaalsContact CD1-CD2 3.47Å; I208-L228 HydrophobicContact CG2-CD1 3.63Å; I208-L228 HydrophobicContact CG2-CD2 4.37Å; M214-L228 HydrophobicContact CE-CD1 4.32Å; M214-L228 HydrophobicContact CE-CD2 4.31Å; M218-L228 HydrophobicContact CE-CB 3.91Å; M218-L228 HydrophobicContact CE-CD1 4.05Å; M218-L228 HydrophobicContact CG-CD1 4.06Å; M218-L228 HydrophobicContact SD-CD1 3.62Å; I224-L228 HydrophobicContact CG2-CD1 3.72Å; I224-L228 HydrophobicContact CG2-CG 4.14Å; I224-L228 VanDerWaalsContact O-CB 3.29Å; I224-L228 WeakPolarHBondContact O-CB 3.47Å; I224-L228 WeakPolarHBondContact O-CG 3.36Å; I224-L228 PolarHBondContact O-N 3.34Å; S225-L228 PolarHBondContact O-N 2.8Å; L228-N230 VanDerWaalsContact C-N 3.29Å; L228-M234 HydrophobicContact CD2-CE 3.51Å; L228-M234 HydrophobicContact CD2-CG 4.45Å; L228-M234 HydrophobicContact CD2-SD 3.76Å |
| 229 | N | 80.9 | Confident | 74.3 | Confident | 80 Ų | 80 | 82.8 Ų | 82.8 | 43% | 0.428 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -76.7 | -20.6 | 173.8 | -80.5 | -48.5 | 0 | 0 | 0 | 112.9 | R205 S225 H226 M227 P231 | R205-N229 VanDerWaalsContact NH2-C 3.3Å; R205-N229 PolarHBondContact NH2-O 3.46Å; S225-N229 WeakPolarHBondContact O-CB 3.47Å; S225-N229 PolarHBondContact O-N 3.06Å; S225-N229 PolarHBondContact O-ND2 2.86Å; S225-N229 PolarHBondContact OG-ND2 3.3Å; H226-N229 PolarHBondContact O-N 3.29Å; M227-N229 VanDerWaalsContact C-N 3.3Å; N229-P231 WeakPolarHBondContact O-CD 3.48Å |
| 230 | N | 81 | Confident | 74.1 | Confident | 95 Ų | 95 | 78 Ų | 78 | 51% | 0.508 | 38% | 0.382 | S | S | . | . | trans | -112.1 | 96.7 | -176.4 | -135 | 7.7 | 0 | 0 | 0 | 110.3 | H226 M227 L228 E232 L233 M234 | H226-N230 VanDerWaalsContact O-CB 3.29Å; H226-N230 WeakPolarHBondContact O-CB 3.44Å; H226-N230 PolarHBondContact O-N 2.8Å; M227-N230 CarbonylContact O-C 3.51Å; M227-N230 PolarHBondContact O-N 3.23Å; L228-N230 VanDerWaalsContact C-N 3.29Å; N230-E232 PolarHBondContact O-N 3.01Å; N230-E232 VanDerWaalsContact O-N 3.15Å; N230-L233 HydrophobicContact CB-CB 4.03Å; N230-L233 PolarHBondContact O-N 2.83Å; N230-M234 PolarHBondContact O-N 3.33Å | ||
| 231 | P | 74.5 | Confident | 73.6 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 29% | 0.292 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.8 | -28.5 | -172 | 25.5 | -34.8 | 0 | 0 | 0 | 113 | P201 N229 R235 | P201-P231 HydrophobicContact CB-CB 4.01Å; P201-P231 HydrophobicContact CG-CB 4.4Å; N229-P231 WeakPolarHBondContact O-CD 3.48Å; P231-R235 VanDerWaalsContact O-CB 3.32Å; P231-R235 WeakPolarHBondContact O-CB 3.3Å; P231-R235 WeakPolarHBondContact O-CG 3.38Å; P231-R235 PolarHBondContact O-N 2.86Å |
| 232 | E | 81.3 | Confident | 74.1 | Confident | 124 Ų | 124 | 74.3 Ų | 74.3 | 58% | 0.579 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70.3 | -38.5 | 175.1 | -74.7 | -59.8 | 122.5 | 0 | 0 | 112.7 | N230 Q236 | N230-E232 PolarHBondContact O-N 3.01Å; N230-E232 VanDerWaalsContact O-N 3.15Å; E232-Q236 WeakPolarHBondContact O-CB 3.46Å; E232-Q236 PolarHBondContact O-N 2.89Å |
| 233 | L | 79.1 | Confident | 73.7 | Confident | 68 Ų | 68 | 73.9 Ų | 73.9 | 36% | 0.356 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.6 | -42.2 | 175.7 | -175.3 | 60.9 | 0 | 0 | 0 | 110.2 | M227 N230 R235 Q236 T237 | M227-L233 HydrophobicContact CB-CD2 4.15Å; M227-L233 HydrophobicContact CG-CD2 4.07Å; M227-L233 HydrophobicContact CG-CG 3.98Å; N230-L233 HydrophobicContact CB-CB 4.03Å; N230-L233 PolarHBondContact O-N 2.83Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.19Å; L233-Q236 WeakPolarHBondContact O-CB 3.34Å; L233-Q236 PolarHBondContact O-N 3.47Å; L233-T237 PolarHBondContact O-N 3.01Å; L233-T237 PolarHBondContact O-OG1 3.02Å |
| 234 | M | 68.5 | Low | 73.5 | Confident | 9 Ų | 9 | 70.9 Ų | 70.9 | 4% | 0.044 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.6 | -166.5 | 178.3 | -176.1 | 0 | 0 | 112.1 | M204 I208 L228 N230 T237 M238 | M204-M234 HydrophobicContact CB-CE 4.02Å; M204-M234 HydrophobicContact CE-CE 3.48Å; M204-M234 VanDerWaalsContact CE-CE 3.48Å; M204-M234 HydrophobicContact CG-CE 3.54Å; M204-M234 HydrophobicContact SD-CE 3.2Å; M204-M234 WeakPolarHBondContact SD-CE 3.07Å; I208-M234 HydrophobicContact CD1-CE 3.19Å; L228-M234 HydrophobicContact CD2-CE 3.51Å; L228-M234 HydrophobicContact CD2-CG 4.45Å; L228-M234 HydrophobicContact CD2-SD 3.76Å; N230-M234 PolarHBondContact O-N 3.33Å; M234-T237 PolarHBondContact O-N 3.08Å; M234-M238 WeakPolarHBondContact O-CB 3.5Å; M234-M238 PolarHBondContact O-N 3.4Å |
| 235 | R | 75 | Confident | 73.8 | Confident | 116 Ų | 116 | 71.8 Ų | 71.8 | 44% | 0.438 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 172 | -86.7 | -178.7 | 142.9 | 156.7 | 0.8 | 111.4 | S199 P231 L233 T237 M238 E239 | S199-R235 PolarHBondContact O-NH2 3.02Å; P231-R235 VanDerWaalsContact O-CB 3.32Å; P231-R235 WeakPolarHBondContact O-CB 3.3Å; P231-R235 WeakPolarHBondContact O-CG 3.38Å; P231-R235 PolarHBondContact O-N 2.86Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.19Å; R235-T237 PolarHBondContact O-N 3.23Å; R235-M238 CarbonylContact O-C 3.59Å; R235-M238 PolarHBondContact O-N 3.12Å; R235-E239 WeakPolarHBondContact O-CA 3.33Å; R235-E239 WeakPolarHBondContact O-CB 3.12Å; R235-E239 PolarHBondContact O-N 3.36Å |
| 236 | Q | 74.8 | Confident | 73.7 | Confident | 124 Ų | 124 | 74.4 Ų | 74.4 | 58% | 0.579 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 178.7 | -170.1 | -179.3 | 142.6 | 0 | 0 | 112.6 | E232 L233 E239 L240 | E232-Q236 WeakPolarHBondContact O-CB 3.46Å; E232-Q236 PolarHBondContact O-N 2.89Å; L233-Q236 WeakPolarHBondContact O-CB 3.34Å; L233-Q236 PolarHBondContact O-N 3.47Å; Q236-E239 PolarHBondContact O-N 3.27Å; Q236-L240 WeakPolarHBondContact O-CB 3.31Å; Q236-L240 PolarHBondContact O-N 2.96Å |
| 237 | T | 71 | Confident | 72.9 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 176.6 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | M227 L233 M234 R235 E239 A241 | M227-T237 HydrophobicContact SD-CG2 3.91Å; L233-T237 PolarHBondContact O-N 3.01Å; L233-T237 PolarHBondContact O-OG1 3.02Å; M234-T237 PolarHBondContact O-N 3.08Å; R235-T237 PolarHBondContact O-N 3.23Å; T237-E239 VanDerWaalsContact C-N 3.34Å; T237-A241 WeakPolarHBondContact O-CB 3.18Å; T237-A241 PolarHBondContact O-N 3.12Å |
| 238 | M | 68.6 | Low | 73.1 | Confident | 25 Ų | 25 | 77.1 Ų | 77.1 | 12% | 0.123 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.2 | -31.8 | 176 | 178 | 140 | -88.7 | 0 | 0 | 112.5 | M189 M198 M204 M234 R235 A241 R242 | M189-M238 HydrophobicContact CE-CE 4.22Å; M189-M238 HydrophobicContact CE-CG 4.49Å; M198-M238 HydrophobicContact CB-CE 4.14Å; M198-M238 HydrophobicContact CB-CG 4.36Å; M198-M238 HydrophobicContact CB-SD 3.36Å; M198-M238 WeakPolarHBondContact CB-SD 3.47Å; M198-M238 HydrophobicContact CE-CE 3.15Å; M198-M238 HydrophobicContact CE-SD 4.34Å; M198-M238 HydrophobicContact CG-CE 3.44Å; M198-M238 VanDerWaalsContact CG-CE 3.44Å; M198-M238 HydrophobicContact CG-SD 3.37Å; M198-M238 WeakPolarHBondContact CG-SD 3.44Å; M198-M238 HydrophobicContact SD-CE 3.21Å; M198-M238 WeakPolarHBondContact SD-CE 3.5Å; M198-M238 HydrophobicContact SD-CG 4.23Å; M198-M238 HydrophobicContact SD-SD 3.66Å; M198-M238 VanDerWaalsContact SD-SD 3.66Å; M204-M238 HydrophobicContact CE-CE 3.15Å; M204-M238 HydrophobicContact CE-SD 3.83Å; M204-M238 HydrophobicContact SD-CE 3.51Å; M204-M238 VanDerWaalsContact SD-CE 3.51Å; M204-M238 HydrophobicContact SD-SD 3.29Å; M234-M238 WeakPolarHBondContact O-CB 3.5Å; M234-M238 PolarHBondContact O-N 3.4Å; R235-M238 CarbonylContact O-C 3.59Å; R235-M238 PolarHBondContact O-N 3.12Å; M238-A241 PolarHBondContact O-N 2.66Å; M238-R242 WeakPolarHBondContact O-CA 3.2Å; M238-R242 WeakPolarHBondContact O-CB 3.5Å; M238-R242 PolarHBondContact O-N 3.43Å |
| 239 | E | 74.1 | Confident | 73 | Confident | 121 Ų | 121 | 83.6 Ų | 83.6 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -74.7 | -37.9 | 176.6 | -171.8 | 168.4 | -170.5 | 0 | 0 | 110.8 | R235 Q236 T237 A241 R242 N243 | R235-E239 WeakPolarHBondContact O-CA 3.33Å; R235-E239 WeakPolarHBondContact O-CB 3.12Å; R235-E239 PolarHBondContact O-N 3.36Å; Q236-E239 PolarHBondContact O-N 3.27Å; T237-E239 VanDerWaalsContact C-N 3.34Å; E239-A241 VanDerWaalsContact C-N 3.35Å; E239-R242 PolarHBondContact O-N 3.22Å; E239-N243 WeakPolarHBondContact O-CB 3.36Å; E239-N243 PolarHBondContact O-N 2.99Å |
| 240 | L | 73 | Confident | 72.4 | Confident | 47 Ų | 47 | 84.9 Ų | 84.9 | 25% | 0.246 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 168.6 | -174.1 | 64.9 | 0 | 0 | 0 | 111.8 | Q236 N243 M246 M247 M250 | Q236-L240 WeakPolarHBondContact O-CB 3.31Å; Q236-L240 PolarHBondContact O-N 2.96Å; L240-N243 CarbonylContact O-C 3.58Å; L240-M246 HydrophobicContact CD1-CB 4.34Å; L240-M246 HydrophobicContact CD1-CE 4.45Å; L240-M246 HydrophobicContact CD1-CG 3.91Å; L240-M246 HydrophobicContact CD1-SD 4.1Å; L240-M247 HydrophobicContact CD1-CB 3.93Å; L240-M247 HydrophobicContact CG-CB 4.36Å; L240-M250 HydrophobicContact CD1-SD 4.49Å |
| 241 | A | 66.6 | Low | 71.3 | Confident | 59 Ų | 59 | 86.2 Ų | 86.2 | 49% | 0.488 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.3 | -36.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M189 T237 M238 E239 N243 | M189-A241 HydrophobicContact CE-CB 3.91Å; T237-A241 WeakPolarHBondContact O-CB 3.18Å; T237-A241 PolarHBondContact O-N 3.12Å; M238-A241 PolarHBondContact O-N 2.66Å; E239-A241 VanDerWaalsContact C-N 3.35Å; A241-N243 VanDerWaalsContact C-N 3.33Å |
| 242 | R | 70.2 | Confident | 71.5 | Confident | 119 Ų | 119 | 93.4 Ų | 93.4 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -75.6 | -24.8 | 178 | 176.6 | 173.5 | 162.1 | 167.1 | -3.5 | 112 | M189 Q195 M238 E239 P244 | M189-R242 HydrophobicContact CE-CB 4.01Å; Q195-R242 VanDerWaalsContact CG-NH1 3.27Å; M238-R242 WeakPolarHBondContact O-CA 3.2Å; M238-R242 WeakPolarHBondContact O-CB 3.5Å; M238-R242 PolarHBondContact O-N 3.43Å; E239-R242 PolarHBondContact O-N 3.22Å; R242-P244 VanDerWaalsContact C-CD 3.43Å; R242-P244 WeakPolarHBondContact O-CD 3.37Å |
| 243 | N | 68.3 | Low | 71.3 | Confident | 75 Ų | 75 | 92.8 Ų | 92.8 | 40% | 0.401 | 46% | 0.46 | S | S | . | . | trans | -112.3 | 79.1 | 179.9 | -157.1 | 8.9 | 0 | 0 | 0 | 110.2 | E239 L240 A241 A245 M246 M247 | E239-N243 WeakPolarHBondContact O-CB 3.36Å; E239-N243 PolarHBondContact O-N 2.99Å; L240-N243 CarbonylContact O-C 3.58Å; A241-N243 VanDerWaalsContact C-N 3.33Å; N243-A245 PolarHBondContact O-N 2.86Å; N243-A245 VanDerWaalsContact O-N 3.09Å; N243-M246 HydrophobicContact CB-CB 3.93Å; N243-M246 WeakPolarHBondContact O-CA 3.06Å; N243-M246 WeakPolarHBondContact O-CB 3.46Å; N243-M246 PolarHBondContact O-N 2.98Å; N243-M247 PolarHBondContact O-N 3.42Å | ||
| 244 | P | 72.1 | Confident | 70.6 | Confident | 83 Ų | 83 | 94.6 Ų | 94.6 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.7 | -23.7 | 178.7 | 25.8 | -35.1 | 0 | 0 | 0 | 111.9 | R242 M247 Q248 | R242-P244 VanDerWaalsContact C-CD 3.43Å; R242-P244 WeakPolarHBondContact O-CD 3.37Å; P244-M247 PolarHBondContact O-N 2.8Å; P244-Q248 VanDerWaalsContact O-CB 3.24Å; P244-Q248 WeakPolarHBondContact O-CB 3.35Å; P244-Q248 VanDerWaalsContact O-CG 3.24Å; P244-Q248 WeakPolarHBondContact O-CG 3.04Å; P244-Q248 PolarHBondContact O-N 2.87Å |
| 245 | A | 74.1 | Confident | 70.6 | Confident | 52 Ų | 52 | 99.1 Ų | 99.1 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -36.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N243 Q248 E249 | N243-A245 PolarHBondContact O-N 2.86Å; N243-A245 VanDerWaalsContact O-N 3.09Å; A245-Q248 CarbonylContact O-C 3.6Å; A245-Q248 PolarHBondContact O-N 3.01Å; A245-E249 WeakPolarHBondContact O-CB 3.33Å; A245-E249 PolarHBondContact O-N 3.36Å |
| 246 | M | 70.9 | Confident | 70.5 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70 | -37.9 | 173.8 | -178 | -176.1 | 178.5 | 0 | 0 | 111.2 | L240 N243 E249 M250 | L240-M246 HydrophobicContact CD1-CB 4.34Å; L240-M246 HydrophobicContact CD1-CE 4.45Å; L240-M246 HydrophobicContact CD1-CG 3.91Å; L240-M246 HydrophobicContact CD1-SD 4.1Å; N243-M246 HydrophobicContact CB-CB 3.93Å; N243-M246 WeakPolarHBondContact O-CA 3.06Å; N243-M246 WeakPolarHBondContact O-CB 3.46Å; N243-M246 PolarHBondContact O-N 2.98Å; M246-E249 PolarHBondContact O-N 2.91Å; M246-M250 WeakPolarHBondContact O-CB 3.29Å; M246-M250 PolarHBondContact O-N 3.15Å |
| 247 | M | 62.1 | Low | 70 | Confident | 102 Ų | 102 | 98.7 Ų | 98.7 | 50% | 0.502 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.2 | -37 | 173.2 | -170.1 | 179.3 | -175.2 | 0 | 0 | 111.8 | L240 N243 P244 E249 M250 M251 | L240-M247 HydrophobicContact CD1-CB 3.93Å; L240-M247 HydrophobicContact CG-CB 4.36Å; N243-M247 PolarHBondContact O-N 3.42Å; P244-M247 PolarHBondContact O-N 2.8Å; M247-E249 VanDerWaalsContact C-N 3.34Å; M247-M250 PolarHBondContact O-N 2.85Å; M247-M251 VanDerWaalsContact O-CB 3.28Å; M247-M251 WeakPolarHBondContact O-CB 3.35Å; M247-M251 PolarHBondContact O-N 3.24Å |
| 248 | Q | 74.9 | Confident | 69.3 | Low | 126 Ų | 126 | 98 Ų | 98 | 59% | 0.589 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.4 | -31 | 172.4 | -81 | 174.4 | -10.2 | 0 | 0 | 112.3 | P244 A245 M251 R252 | P244-Q248 VanDerWaalsContact O-CB 3.24Å; P244-Q248 WeakPolarHBondContact O-CB 3.35Å; P244-Q248 VanDerWaalsContact O-CG 3.24Å; P244-Q248 WeakPolarHBondContact O-CG 3.04Å; P244-Q248 PolarHBondContact O-N 2.87Å; A245-Q248 CarbonylContact O-C 3.6Å; A245-Q248 PolarHBondContact O-N 3.01Å; Q248-M251 CarbonylContact O-C 3.35Å; Q248-R252 WeakPolarHBondContact O-CB 3.31Å; Q248-R252 WeakPolarHBondContact O-CG 3.31Å; Q248-R252 PolarHBondContact O-N 3.35Å |
| 249 | E | 71.4 | Confident | 69 | Low | 140 Ų | 140 | 100.5 Ų | 100.5 | 65% | 0.654 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -80.6 | -34 | 174.9 | -169.9 | 157.8 | -158 | 0 | 0 | 110.9 | A245 M246 M247 R252 N253 | A245-E249 WeakPolarHBondContact O-CB 3.33Å; A245-E249 PolarHBondContact O-N 3.36Å; M246-E249 PolarHBondContact O-N 2.91Å; M247-E249 VanDerWaalsContact C-N 3.34Å; E249-R252 PolarHBondContact O-N 2.89Å; E249-N253 WeakPolarHBondContact O-CA 3.29Å; E249-N253 WeakPolarHBondContact O-CB 3.26Å; E249-N253 PolarHBondContact O-N 3.29Å |
| 250 | M | 68.1 | Low | 68.5 | Low | 107 Ų | 107 | 99.7 Ų | 99.7 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 166.8 | -170.2 | 179.2 | -149.2 | 0 | 0 | 110.2 | L240 M246 M247 Q254 | L240-M250 HydrophobicContact CD1-SD 4.49Å; M246-M250 WeakPolarHBondContact O-CB 3.29Å; M246-M250 PolarHBondContact O-N 3.15Å; M247-M250 PolarHBondContact O-N 2.85Å; M250-Q254 WeakPolarHBondContact O-CA 3.14Å; M250-Q254 WeakPolarHBondContact O-CB 3.21Å; M250-Q254 PolarHBondContact O-N 3.29Å |
| 251 | M | 59.4 | Low | 67.8 | Low | 122 Ų | 122 | 100.8 Ų | 100.8 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.3 | -41 | 171.5 | -96 | -175.2 | 129.5 | 0 | 0 | 111.3 | M247 Q248 D255 | M247-M251 VanDerWaalsContact O-CB 3.28Å; M247-M251 WeakPolarHBondContact O-CB 3.35Å; M247-M251 PolarHBondContact O-N 3.24Å; Q248-M251 CarbonylContact O-C 3.35Å; M251-D255 WeakPolarHBondContact O-CA 3.2Å; M251-D255 WeakPolarHBondContact O-CB 3.27Å; M251-D255 PolarHBondContact O-N 3.39Å |
| 252 | R | 78.8 | Confident | 67.5 | Low | 197 Ų | 197 | 104.2 Ų | 104.2 | 74% | 0.743 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.6 | -32.3 | 178.3 | -80.1 | 172.9 | 78 | 120.7 | 1.5 | 112.6 | Q248 E249 R256 | Q248-R252 WeakPolarHBondContact O-CB 3.31Å; Q248-R252 WeakPolarHBondContact O-CG 3.31Å; Q248-R252 PolarHBondContact O-N 3.35Å; E249-R252 PolarHBondContact O-N 2.89Å; R252-R256 WeakPolarHBondContact O-CB 3.43Å; R252-R256 PolarHBondContact O-N 3.18Å |
| 253 | N | 76.9 | Confident | 67.5 | Low | 111 Ų | 111 | 102.5 Ų | 102.5 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -80 | -38.6 | 177.7 | -167 | 23 | 0 | 0 | 0 | 110.1 | E249 R256 A257 | E249-N253 WeakPolarHBondContact O-CA 3.29Å; E249-N253 WeakPolarHBondContact O-CB 3.26Å; E249-N253 PolarHBondContact O-N 3.29Å; N253-R256 PolarHBondContact O-N 2.82Å; N253-A257 VanDerWaalsContact O-CB 3.27Å; N253-A257 WeakPolarHBondContact O-CB 3.36Å; N253-A257 PolarHBondContact O-N 3.49Å |
| 254 | Q | 62.8 | Low | 67.2 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -51.9 | 166 | -167.1 | 175.8 | 94.2 | 0 | 0 | 108.2 | M250 R256 A257 L258 | M250-Q254 WeakPolarHBondContact O-CA 3.14Å; M250-Q254 WeakPolarHBondContact O-CB 3.21Å; M250-Q254 PolarHBondContact O-N 3.29Å; Q254-R256 VanDerWaalsContact C-N 3.33Å; Q254-R256 PolarHBondContact O-N 2.75Å; Q254-A257 CarbonylContact O-C 3.51Å; Q254-A257 VanDerWaalsContact O-C 3.29Å; Q254-A257 VanDerWaalsContact O-CA 3.29Å; Q254-A257 WeakPolarHBondContact O-CA 3.36Å; Q254-A257 VanDerWaalsContact O-CB 3.31Å; Q254-A257 WeakPolarHBondContact O-CB 3.14Å; Q254-A257 PolarHBondContact O-N 3.01Å; Q254-L258 HydrophobicContact CG-CD1 4.42Å; Q254-L258 HydrophobicContact CG-CD2 4.15Å; Q254-L258 HydrophobicContact CG-CG 4.14Å; Q254-L258 WeakPolarHBondContact O-CB 3.33Å; Q254-L258 WeakPolarHBondContact O-CG 3.31Å; Q254-L258 PolarHBondContact O-N 3.31Å |
| 255 | D | 68.6 | Low | 65.8 | Low | 103 Ų | 103 | 105.7 Ų | 105.7 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60 | -35.3 | 178.2 | -165 | -100.7 | 0 | 0 | 0 | 113 | M251 L258 S259 | M251-D255 WeakPolarHBondContact O-CA 3.2Å; M251-D255 WeakPolarHBondContact O-CB 3.27Å; M251-D255 PolarHBondContact O-N 3.39Å; D255-L258 CarbonylContact O-C 3.54Å; D255-L258 WeakPolarHBondContact O-CB 3.31Å; D255-L258 PolarHBondContact O-N 3.36Å; D255-S259 VanDerWaalsContact O-CB 3.31Å; D255-S259 WeakPolarHBondContact O-CB 2.94Å; D255-S259 PolarHBondContact O-N 3.41Å |
| 256 | R | 74.8 | Confident | 65.2 | Low | 188 Ų | 188 | 105.7 Ų | 105.7 | 71% | 0.709 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.7 | -36.5 | 171.3 | -161.9 | 175.9 | -159.9 | -127 | 3 | 112.1 | R252 N253 Q254 L258 N260 | R252-R256 WeakPolarHBondContact O-CB 3.43Å; R252-R256 PolarHBondContact O-N 3.18Å; N253-R256 PolarHBondContact O-N 2.82Å; Q254-R256 VanDerWaalsContact C-N 3.33Å; Q254-R256 PolarHBondContact O-N 2.75Å; R256-L258 VanDerWaalsContact C-N 3.34Å; R256-N260 WeakPolarHBondContact O-CB 3.22Å; R256-N260 PolarHBondContact O-N 3.17Å; R256-N260 VanDerWaalsContact O-N 3.08Å |
| 257 | A | 62.8 | Low | 64.8 | Low | 44 Ų | 44 | 101.7 Ų | 101.7 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.1 | -29.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N253 Q254 N260 L261 | N253-A257 VanDerWaalsContact O-CB 3.27Å; N253-A257 WeakPolarHBondContact O-CB 3.36Å; N253-A257 PolarHBondContact O-N 3.49Å; Q254-A257 CarbonylContact O-C 3.51Å; Q254-A257 VanDerWaalsContact O-C 3.29Å; Q254-A257 VanDerWaalsContact O-CA 3.29Å; Q254-A257 WeakPolarHBondContact O-CA 3.36Å; Q254-A257 VanDerWaalsContact O-CB 3.31Å; Q254-A257 WeakPolarHBondContact O-CB 3.14Å; Q254-A257 PolarHBondContact O-N 3.01Å; A257-N260 CarbonylContact O-C 3.57Å; A257-N260 PolarHBondContact O-N 3.16Å; A257-L261 WeakPolarHBondContact O-CB 3.24Å; A257-L261 VanDerWaalsContact O-CD1 3.31Å; A257-L261 WeakPolarHBondContact O-CD1 3.43Å; A257-L261 VanDerWaalsContact O-CG 3.26Å; A257-L261 WeakPolarHBondContact O-CG 3.35Å; A257-L261 PolarHBondContact O-N 3.25Å |
| 258 | L | 57.2 | Low | 64.7 | Low | 43 Ų | 43 | 102.9 Ų | 102.9 | 23% | 0.225 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -73.9 | -39.8 | 176.5 | -65.8 | -167.3 | 0 | 0 | 0 | 109.6 | Q254 D255 R256 N260 L261 E262 L271 | Q254-L258 HydrophobicContact CG-CD1 4.42Å; Q254-L258 HydrophobicContact CG-CD2 4.15Å; Q254-L258 HydrophobicContact CG-CG 4.14Å; Q254-L258 WeakPolarHBondContact O-CB 3.33Å; Q254-L258 WeakPolarHBondContact O-CG 3.31Å; Q254-L258 PolarHBondContact O-N 3.31Å; D255-L258 CarbonylContact O-C 3.54Å; D255-L258 WeakPolarHBondContact O-CB 3.31Å; D255-L258 PolarHBondContact O-N 3.36Å; R256-L258 VanDerWaalsContact C-N 3.34Å; L258-N260 VanDerWaalsContact C-N 3.35Å; L258-L261 CarbonylContact O-C 3.59Å; L258-L261 PolarHBondContact O-N 3.16Å; L258-L261 VanDerWaalsContact O-N 3.1Å; L258-E262 WeakPolarHBondContact O-CA 3.29Å; L258-E262 WeakPolarHBondContact O-CB 3.01Å; L258-E262 PolarHBondContact O-N 2.91Å; L258-L271 HydrophobicContact CB-CD2 4Å; L258-L271 HydrophobicContact CD1-CD2 3.74Å; L258-L271 HydrophobicContact CD1-CG 4.46Å; L258-L271 HydrophobicContact CD2-CD1 3.81Å; L258-L271 HydrophobicContact CD2-CD2 3.66Å; L258-L271 HydrophobicContact CD2-CG 3.58Å; L258-L271 HydrophobicContact CG-CD2 3.94Å; L258-L271 HydrophobicContact CG-CG 4.41Å |
| 259 | S | 61.9 | Low | 64.1 | Low | 77 Ų | 77 | 102.2 Ų | 102.2 | 54% | 0.538 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 173.1 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | D255 L261 S263 | D255-S259 VanDerWaalsContact O-CB 3.31Å; D255-S259 WeakPolarHBondContact O-CB 2.94Å; D255-S259 PolarHBondContact O-N 3.41Å; S259-L261 VanDerWaalsContact C-N 3.35Å; S259-S263 WeakPolarHBondContact O-CB 3.28Å; S259-S263 PolarHBondContact O-N 3.38Å; S259-S263 VanDerWaalsContact O-N 3.1Å; S259-S263 PolarHBondContact O-OG 3Å |
| 260 | N | 63.8 | Low | 63.8 | Low | 105 Ų | 105 | 98 Ų | 98 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.2 | -22.6 | 168.9 | -83.2 | -25.5 | 0 | 0 | 0 | 113.7 | R256 A257 L258 S263 I264 | R256-N260 WeakPolarHBondContact O-CB 3.22Å; R256-N260 PolarHBondContact O-N 3.17Å; R256-N260 VanDerWaalsContact O-N 3.08Å; A257-N260 CarbonylContact O-C 3.57Å; A257-N260 PolarHBondContact O-N 3.16Å; L258-N260 VanDerWaalsContact C-N 3.35Å; N260-S263 WeakPolarHBondContact CA-OG 3.47Å; N260-S263 PolarHBondContact O-OG 3.29Å; N260-S263 VanDerWaalsContact O-OG 3.06Å; N260-I264 WeakPolarHBondContact O-CD1 3.49Å; N260-I264 VanDerWaalsContact O-CG1 3.31Å; N260-I264 WeakPolarHBondContact O-CG1 3.12Å |
| 261 | L | 57.7 | Low | 63.3 | Low | 69 Ų | 69 | 94.4 Ų | 94.4 | 36% | 0.361 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -90.1 | -26.7 | 174.5 | -84.9 | 156.6 | 0 | 0 | 0 | 112.2 | A257 L258 S259 I264 G267 L271 | A257-L261 WeakPolarHBondContact O-CB 3.24Å; A257-L261 VanDerWaalsContact O-CD1 3.31Å; A257-L261 WeakPolarHBondContact O-CD1 3.43Å; A257-L261 VanDerWaalsContact O-CG 3.26Å; A257-L261 WeakPolarHBondContact O-CG 3.35Å; A257-L261 PolarHBondContact O-N 3.25Å; L258-L261 CarbonylContact O-C 3.59Å; L258-L261 PolarHBondContact O-N 3.16Å; L258-L261 VanDerWaalsContact O-N 3.1Å; S259-L261 VanDerWaalsContact C-N 3.35Å; L261-I264 HydrophobicContact CD2-CD1 4.33Å; L261-I264 WeakPolarHBondContact O-CB 3.25Å; L261-I264 PolarHBondContact O-N 3.35Å; L261-I264 VanDerWaalsContact O-O 3.1Å; L261-G267 WeakPolarHBondContact O-CA 3.41Å; L261-L271 HydrophobicContact CB-CD1 3.97Å |
| 262 | E | 60.8 | Low | 63 | Low | 131 Ų | 131 | 95.2 Ų | 95.2 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -78.8 | -29.1 | 177.2 | -166.8 | 175.8 | 121.6 | 0 | 0 | 110.7 | L258 I264 | L258-E262 WeakPolarHBondContact O-CA 3.29Å; L258-E262 WeakPolarHBondContact O-CB 3.01Å; L258-E262 PolarHBondContact O-N 2.91Å; E262-I264 PolarHBondContact O-N 2.94Å |
| 263 | S | 70.2 | Confident | 62 | Low | 84 Ų | 84 | 94 Ų | 94 | 59% | 0.587 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -71.2 | -10.2 | 165.4 | 51 | 0 | 0 | 0 | 0 | 113.4 | S259 N260 | S259-S263 WeakPolarHBondContact O-CB 3.28Å; S259-S263 PolarHBondContact O-N 3.38Å; S259-S263 VanDerWaalsContact O-N 3.1Å; S259-S263 PolarHBondContact O-OG 3Å; N260-S263 WeakPolarHBondContact CA-OG 3.47Å; N260-S263 PolarHBondContact O-OG 3.29Å; N260-S263 VanDerWaalsContact O-OG 3.06Å |
| 264 | I | 62.4 | Low | 61 | Low | 93 Ų | 93 | 94.9 Ų | 94.9 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -92.6 | 119.8 | 172.3 | -63 | 167.6 | 0 | 0 | 0 | 108.8 | N260 L261 E262 G266 G267 | N260-I264 WeakPolarHBondContact O-CD1 3.49Å; N260-I264 VanDerWaalsContact O-CG1 3.31Å; N260-I264 WeakPolarHBondContact O-CG1 3.12Å; L261-I264 HydrophobicContact CD2-CD1 4.33Å; L261-I264 WeakPolarHBondContact O-CB 3.25Å; L261-I264 PolarHBondContact O-N 3.35Å; L261-I264 VanDerWaalsContact O-O 3.1Å; E262-I264 PolarHBondContact O-N 2.94Å; I264-G266 PolarHBondContact O-N 2.7Å; I264-G267 PolarHBondContact O-N 2.83Å |
| 265 | P | 43.1 | Very low | 60.4 | Low | 132 Ų | 132 | 96.9 Ų | 96.9 | 86% | 0.857 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 116.2 | 178.7 | 20.5 | -29.5 | 0 | 0 | 0 | 110.5 | ||
| 266 | G | 60.9 | Low | 59.8 | Low | 52 Ų | 52 | 94.9 Ų | 94.9 | 54% | 0.536 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | -8.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | I264 Y268 N269 | I264-G266 PolarHBondContact O-N 2.7Å; G266-Y268 PolarHBondContact O-N 3.39Å; G266-N269 PolarHBondContact O-N 3.29Å; G266-N269 VanDerWaalsContact O-N 3.17Å |
| 267 | G | 62.8 | Low | 58.8 | Low | 4 Ų | 4 | 91.2 Ų | 91.2 | 4% | 0.041 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.4 | -26.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | L261 I264 N269 A270 L271 | L261-G267 WeakPolarHBondContact O-CA 3.41Å; I264-G267 PolarHBondContact O-N 2.83Å; G267-N269 VanDerWaalsContact C-N 3.25Å; G267-N269 PolarHBondContact O-N 2.94Å; G267-A270 WeakPolarHBondContact O-CA 3.36Å; G267-A270 WeakPolarHBondContact O-CB 3.36Å; G267-A270 PolarHBondContact O-N 3.48Å; G267-L271 WeakPolarHBondContact O-CD1 3.39Å; G267-L271 PolarHBondContact O-N 3.44Å |
| 268 | Y | 59 | Low | 58.3 | Low | 127 Ų | 127 | 94.5 Ų | 94.5 | 50% | 0.498 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -29.4 | 174.3 | -162.5 | -108 | 0 | 0 | 0 | 113.5 | G266 R272 | G266-Y268 PolarHBondContact O-N 3.39Å; Y268-R272 VanDerWaalsContact CE1-CZ 3.4Å; Y268-R272 WeakPolarHBondContact O-CB 3.46Å; Y268-R272 VanDerWaalsContact O-CG 3.32Å; Y268-R272 WeakPolarHBondContact O-CG 3.44Å; Y268-R272 PolarHBondContact O-N 2.87Å; Y268-R272 PolarHBondContact OH-NH2 2.97Å |
| 269 | N | 62.7 | Low | 57.8 | Low | 112 Ų | 112 | 96.4 Ų | 96.4 | 60% | 0.599 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -77.2 | -28.9 | 172.8 | -87.6 | -47.6 | 0 | 0 | 0 | 112.8 | G266 G267 R273 | G266-N269 PolarHBondContact O-N 3.29Å; G266-N269 VanDerWaalsContact O-N 3.17Å; G267-N269 VanDerWaalsContact C-N 3.25Å; G267-N269 PolarHBondContact O-N 2.94Å; N269-R273 PolarHBondContact O-N 2.87Å; N269-R273 VanDerWaalsContact O-N 3.15Å |
| 270 | A | 65.1 | Low | 57.1 | Low | 52 Ų | 52 | 97.8 Ų | 97.8 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.9 | -37.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G267 R273 M274 | G267-A270 WeakPolarHBondContact O-CA 3.36Å; G267-A270 WeakPolarHBondContact O-CB 3.36Å; G267-A270 PolarHBondContact O-N 3.48Å; A270-R273 PolarHBondContact O-N 2.95Å; A270-M274 WeakPolarHBondContact O-CG 3.32Å; A270-M274 PolarHBondContact O-N 3.38Å |
| 271 | L | 58.6 | Low | 56.2 | Low | 31 Ų | 31 | 96.4 Ų | 96.4 | 16% | 0.162 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 171.6 | -92.7 | 79.8 | 0 | 0 | 0 | 112.1 | L258 L261 G267 R273 M274 Y275 | L258-L271 HydrophobicContact CB-CD2 4Å; L258-L271 HydrophobicContact CD1-CD2 3.74Å; L258-L271 HydrophobicContact CD1-CG 4.46Å; L258-L271 HydrophobicContact CD2-CD1 3.81Å; L258-L271 HydrophobicContact CD2-CD2 3.66Å; L258-L271 HydrophobicContact CD2-CG 3.58Å; L258-L271 HydrophobicContact CG-CD2 3.94Å; L258-L271 HydrophobicContact CG-CG 4.41Å; L261-L271 HydrophobicContact CB-CD1 3.97Å; G267-L271 WeakPolarHBondContact O-CD1 3.39Å; G267-L271 PolarHBondContact O-N 3.44Å; L271-R273 VanDerWaalsContact C-N 3.27Å; L271-R273 PolarHBondContact O-N 3.5Å; L271-M274 PolarHBondContact O-N 3.06Å; L271-M274 VanDerWaalsContact O-N 3.16Å; L271-Y275 WeakPolarHBondContact O-CB 3.48Å; L271-Y275 PolarHBondContact O-N 3.47Å |
| 272 | R | 52.9 | Low | 56 | Low | 138 Ų | 138 | 100.5 Ų | 100.5 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 175.8 | -78.2 | -179.1 | 177.5 | -142.3 | -1.2 | 111.5 | Y268 Y275 T276 | Y268-R272 VanDerWaalsContact CE1-CZ 3.4Å; Y268-R272 WeakPolarHBondContact O-CB 3.46Å; Y268-R272 VanDerWaalsContact O-CG 3.32Å; Y268-R272 WeakPolarHBondContact O-CG 3.44Å; Y268-R272 PolarHBondContact O-N 2.87Å; Y268-R272 PolarHBondContact OH-NH2 2.97Å; R272-Y275 PolarHBondContact O-N 2.95Å; R272-T276 WeakPolarHBondContact O-CB 3.43Å; R272-T276 WeakPolarHBondContact O-CG2 3.23Å; R272-T276 PolarHBondContact O-N 3.17Å; R272-T276 PolarHBondContact O-OG1 3.4Å |
| 273 | R | 58.1 | Low | 55.5 | Low | 173 Ų | 173 | 101 Ų | 101 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 171 | -93.5 | -177.5 | 173.1 | 128.1 | -1.7 | 113.3 | N269 A270 L271 Y275 T276 D277 | N269-R273 PolarHBondContact O-N 2.87Å; N269-R273 VanDerWaalsContact O-N 3.15Å; A270-R273 PolarHBondContact O-N 2.95Å; L271-R273 VanDerWaalsContact C-N 3.27Å; L271-R273 PolarHBondContact O-N 3.5Å; R273-Y275 VanDerWaalsContact C-N 3.28Å; R273-Y275 PolarHBondContact O-N 2.81Å; R273-T276 WeakPolarHBondContact CA-OG1 3.45Å; R273-T276 PolarHBondContact O-N 3.1Å; R273-D277 WeakPolarHBondContact O-CA 3.21Å; R273-D277 WeakPolarHBondContact O-CB 3.46Å; R273-D277 PolarHBondContact O-N 3.5Å |
| 274 | M | 54.4 | Low | 54.7 | Low | 128 Ų | 128 | 99.4 Ų | 99.4 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -37.4 | 173.9 | -76.4 | -76.3 | -158.2 | 0 | 0 | 112.2 | A270 L271 I278 | A270-M274 WeakPolarHBondContact O-CG 3.32Å; A270-M274 PolarHBondContact O-N 3.38Å; L271-M274 PolarHBondContact O-N 3.06Å; L271-M274 VanDerWaalsContact O-N 3.16Å; M274-I278 WeakPolarHBondContact O-CB 3.49Å; M274-I278 PolarHBondContact O-N 3.26Å; M274-I278 HydrophobicContact SD-CD1 3.5Å; M274-I278 WeakPolarHBondContact SD-CD1 3.04Å |
| 275 | Y | 50.3 | Low | 54 | Low | 149 Ų | 149 | 97.4 Ų | 97.4 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | I | π-helix | trans | -73.7 | -35.3 | 177.8 | -152.1 | -87.8 | 0 | 0 | 0 | 112.5 | L271 R272 R273 Q279 E280 | L271-Y275 WeakPolarHBondContact O-CB 3.48Å; L271-Y275 PolarHBondContact O-N 3.47Å; R272-Y275 PolarHBondContact O-N 2.95Å; R273-Y275 VanDerWaalsContact C-N 3.28Å; R273-Y275 PolarHBondContact O-N 2.81Å; Y275-Q279 WeakPolarHBondContact O-CB 3.49Å; Y275-Q279 PolarHBondContact O-N 3.25Å; Y275-E280 PolarHBondContact O-N 3.35Å; Y275-E280 VanDerWaalsContact O-N 3.14Å |
| 276 | T | 56.3 | Low | 54.2 | Low | 60 Ų | 60 | 93.4 Ų | 93.4 | 37% | 0.368 | 48% | 0.483 | S | S | . | . | I | π-helix | trans | -86.4 | -35.3 | -179.9 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | R272 R273 E280 | R272-T276 WeakPolarHBondContact O-CB 3.43Å; R272-T276 WeakPolarHBondContact O-CG2 3.23Å; R272-T276 PolarHBondContact O-N 3.17Å; R272-T276 PolarHBondContact O-OG1 3.4Å; R273-T276 WeakPolarHBondContact CA-OG1 3.45Å; R273-T276 PolarHBondContact O-N 3.1Å; T276-E280 WeakPolarHBondContact CA-OE2 3.4Å; T276-E280 VanDerWaalsContact CB-OE2 3.25Å; T276-E280 WeakPolarHBondContact CB-OE2 3.44Å; T276-E280 VanDerWaalsContact CG2-OE2 3.24Å; T276-E280 WeakPolarHBondContact CG2-OE2 3.43Å; T276-E280 WeakPolarHBondContact O-CB 3.15Å |
| 277 | D | 53.1 | Low | 53.8 | Low | 112 Ų | 112 | 99.6 Ų | 99.6 | 60% | 0.599 | 49% | 0.49 | S | S | * | . | I | π-helix | trans | -85.4 | -25.5 | -178 | -74.6 | -57 | 0 | 0 | 0 | 113.6 | R273 | R273-D277 WeakPolarHBondContact O-CA 3.21Å; R273-D277 WeakPolarHBondContact O-CB 3.46Å; R273-D277 PolarHBondContact O-N 3.5Å |
| 278 | I | 53.8 | Low | 53.4 | Low | 113 Ų | 113 | 107 Ų | 107 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | I | π-helix | trans | -116.7 | -40.2 | -172.9 | -59.3 | 172.5 | 0 | 0 | 0 | 112.5 | M274 | M274-I278 WeakPolarHBondContact O-CB 3.49Å; M274-I278 PolarHBondContact O-N 3.26Å; M274-I278 HydrophobicContact SD-CD1 3.5Å; M274-I278 WeakPolarHBondContact SD-CD1 3.04Å |
| 279 | Q | 46.7 | Very low | 52.9 | Low | 82 Ų | 82 | 106.2 Ų | 106.2 | 38% | 0.383 | 52% | 0.524 | S | S | . | . | I | π-helix | trans | -90.9 | -32.5 | -175.7 | -164.5 | 171.6 | -3.2 | 0 | 0 | 112.7 | Y275 M282 F283 | Y275-Q279 WeakPolarHBondContact O-CB 3.49Å; Y275-Q279 PolarHBondContact O-N 3.25Å; Q279-M282 PolarHBondContact O-N 2.99Å; Q279-F283 WeakPolarHBondContact O-CB 3.5Å; Q279-F283 PolarHBondContact O-N 3.31Å |
| 280 | E | 46 | Very low | 52.2 | Low | 106 Ų | 106 | 106.5 Ų | 106.5 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 178.2 | -141.6 | 170.9 | -166.1 | 0 | 0 | 115.2 | Y275 T276 M282 F283 S284 | Y275-E280 PolarHBondContact O-N 3.35Å; Y275-E280 VanDerWaalsContact O-N 3.14Å; T276-E280 WeakPolarHBondContact CA-OE2 3.4Å; T276-E280 VanDerWaalsContact CB-OE2 3.25Å; T276-E280 WeakPolarHBondContact CB-OE2 3.44Å; T276-E280 VanDerWaalsContact CG2-OE2 3.24Å; T276-E280 WeakPolarHBondContact CG2-OE2 3.43Å; T276-E280 WeakPolarHBondContact O-CB 3.15Å; E280-M282 PolarHBondContact O-N 2.75Å; E280-F283 PolarHBondContact O-N 3.22Å; E280-S284 WeakPolarHBondContact O-CA 3.13Å; E280-S284 WeakPolarHBondContact O-CB 3.38Å; E280-S284 PolarHBondContact O-N 3.16Å |
| 281 | P | 44.7 | Very low | 51.1 | Low | 77 Ų | 77 | 106.2 Ų | 106.2 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -29.9 | 174.4 | 21.7 | -30.9 | 0 | 0 | 0 | 112.3 | A285 | P281-A285 VanDerWaalsContact O-CB 3.22Å; P281-A285 WeakPolarHBondContact O-CB 3.49Å; P281-A285 PolarHBondContact O-N 3.03Å |
| 282 | M | 53.8 | Low | 50.4 | Low | 154 Ų | 154 | 109.7 Ų | 109.7 | 76% | 0.759 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -77.9 | -39.8 | 176.2 | -154.7 | -152.3 | -75.4 | 0 | 0 | 112.1 | Q279 E280 A286 | Q279-M282 PolarHBondContact O-N 2.99Å; E280-M282 PolarHBondContact O-N 2.75Å; M282-A286 WeakPolarHBondContact O-CB 3.28Å; M282-A286 PolarHBondContact O-N 2.76Å; M282-A286 VanDerWaalsContact O-N 3.11Å |
| 283 | F | 50 | Low | 49.9 | Very low | 141 Ų | 141 | 108.3 Ų | 108.3 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -81.6 | -27.8 | -179 | -145.4 | -95.7 | 0 | 0 | 0 | 113 | Q279 E280 R287 | Q279-F283 WeakPolarHBondContact O-CB 3.5Å; Q279-F283 PolarHBondContact O-N 3.31Å; E280-F283 PolarHBondContact O-N 3.22Å; F283-R287 WeakPolarHBondContact O-CB 3.15Å; F283-R287 PolarHBondContact O-N 3.46Å |
| 284 | S | 53.1 | Low | 49.7 | Very low | 51 Ų | 51 | 105.3 Ų | 105.3 | 36% | 0.357 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.8 | -42.2 | 171.1 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | E280 A286 R287 E288 | E280-S284 WeakPolarHBondContact O-CA 3.13Å; E280-S284 WeakPolarHBondContact O-CB 3.38Å; E280-S284 PolarHBondContact O-N 3.16Å; S284-A286 VanDerWaalsContact C-N 3.29Å; S284-A286 PolarHBondContact O-N 3.22Å; S284-R287 PolarHBondContact O-N 2.97Å; S284-E288 WeakPolarHBondContact O-CB 2.93Å; S284-E288 VanDerWaalsContact O-CG 3.29Å; S284-E288 WeakPolarHBondContact O-CG 3.37Å; S284-E288 PolarHBondContact O-N 3.48Å |
| 285 | A | 48.5 | Very low | 49.1 | Very low | 51 Ų | 51 | 107.9 Ų | 107.9 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.8 | -35.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P281 Q289 | P281-A285 VanDerWaalsContact O-CB 3.22Å; P281-A285 WeakPolarHBondContact O-CB 3.49Å; P281-A285 PolarHBondContact O-N 3.03Å; A285-Q289 PolarHBondContact O-N 3.33Å |
| 286 | A | 46.8 | Very low | 48.8 | Very low | 49 Ų | 49 | 105.3 Ų | 105.3 | 41% | 0.405 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.7 | -43.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M282 S284 Q289 F290 | M282-A286 WeakPolarHBondContact O-CB 3.28Å; M282-A286 PolarHBondContact O-N 2.76Å; M282-A286 VanDerWaalsContact O-N 3.11Å; S284-A286 VanDerWaalsContact C-N 3.29Å; S284-A286 PolarHBondContact O-N 3.22Å; A286-Q289 PolarHBondContact O-N 3.14Å; A286-F290 VanDerWaalsContact O-CB 3.26Å; A286-F290 WeakPolarHBondContact O-CB 3.35Å; A286-F290 PolarHBondContact O-N 2.99Å |
| 287 | R | 52.6 | Low | 48.4 | Very low | 182 Ų | 182 | 106.8 Ų | 106.8 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.5 | -26.3 | -179.4 | -170.8 | 170.2 | 179.7 | 142.2 | -0.6 | 113.6 | F283 S284 G291 | F283-R287 WeakPolarHBondContact O-CB 3.15Å; F283-R287 PolarHBondContact O-N 3.46Å; S284-R287 PolarHBondContact O-N 2.97Å; R287-G291 WeakPolarHBondContact O-CA 2.88Å; R287-G291 PolarHBondContact O-N 3.48Å |
| 288 | E | 55.2 | Low | 48.2 | Very low | 158 Ų | 158 | 109.1 Ų | 109.1 | 74% | 0.738 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -80.4 | -21.6 | 174.8 | -70.8 | 179.9 | 128 | 0 | 0 | 112.5 | S284 | S284-E288 WeakPolarHBondContact O-CB 2.93Å; S284-E288 VanDerWaalsContact O-CG 3.29Å; S284-E288 WeakPolarHBondContact O-CG 3.37Å; S284-E288 PolarHBondContact O-N 3.48Å |
| 289 | Q | 48.5 | Very low | 47.8 | Very low | 111 Ų | 111 | 106.9 Ų | 106.9 | 52% | 0.519 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -98.8 | -23.4 | 174.3 | -157.7 | 174.8 | -78.6 | 0 | 0 | 113.6 | A285 A286 | A285-Q289 PolarHBondContact O-N 3.33Å; A286-Q289 PolarHBondContact O-N 3.14Å |
| 290 | F | 48.1 | Very low | 47.4 | Very low | 119 Ų | 119 | 106.5 Ų | 106.5 | 52% | 0.522 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -110.4 | -3.5 | 176.6 | -96.7 | -97.4 | 0 | 0 | 0 | 114.9 | M179 A286 S292 | M179-F290 HydrophobicContact CB-CE1 4.44Å; M179-F290 HydrophobicContact CB-CZ 4Å; M179-F290 HydrophobicContact CE-CE2 4.29Å; M179-F290 HydrophobicContact CG-CZ 4.26Å; M179-F290 HydrophobicContact SD-CD2 4.49Å; M179-F290 HydrophobicContact SD-CE1 4.43Å; M179-F290 HydrophobicContact SD-CE2 3.28Å; M179-F290 WeakPolarHBondContact SD-CE2 3.13Å; M179-F290 HydrophobicContact SD-CZ 3.25Å; M179-F290 WeakPolarHBondContact SD-CZ 3.31Å; A286-F290 VanDerWaalsContact O-CB 3.26Å; A286-F290 WeakPolarHBondContact O-CB 3.35Å; A286-F290 PolarHBondContact O-N 2.99Å; F290-S292 PolarHBondContact O-N 2.57Å |
| 291 | G | 41.6 | Very low | 47 | Very low | 45 Ų | 45 | 108.8 Ų | 108.8 | 46% | 0.464 | 64% | 0.635 | S | S | . | * | trans | -81.1 | 11.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R287 N293 | R287-G291 WeakPolarHBondContact O-CA 2.88Å; R287-G291 PolarHBondContact O-N 3.48Å; G291-N293 PolarHBondContact O-N 2.83Å | ||
| 292 | S | 45 | Very low | 46.4 | Very low | 104 Ų | 104 | 110.4 Ų | 110.4 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | trans | -76.6 | 74.9 | 164.2 | -42.9 | 0 | 0 | 0 | 0 | 109.2 | F290 P294 | F290-S292 PolarHBondContact O-N 2.57Å; S292-P294 WeakPolarHBondContact O-CD 3.47Å | ||
| 293 | N | 42.4 | Very low | 45.7 | Very low | 109 Ų | 109 | 110.5 Ų | 110.5 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | trans | -57.2 | 115 | 173.1 | -90.6 | -1 | 0 | 0 | 0 | 110.3 | G291 F295 S296 | G291-N293 PolarHBondContact O-N 2.83Å; N293-F295 PolarHBondContact O-N 3.39Å; N293-S296 PolarHBondContact O-N 3.15Å; N293-S296 VanDerWaalsContact O-N 3.11Å | ||
| 294 | P | 52.5 | Low | 44.9 | Very low | 111 Ų | 111 | 109 Ų | 109 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -72.2 | -12.5 | 176.4 | 30.4 | -34.2 | 0 | 0 | 0 | 112.7 | S292 S296 A297 | S292-P294 WeakPolarHBondContact O-CD 3.47Å; P294-S296 VanDerWaalsContact C-N 3.31Å; P294-A297 PolarHBondContact O-N 3.4Å |
| 295 | F | 41.9 | Very low | 44.6 | Very low | 181 Ų | 181 | 110.8 Ų | 110.8 | 79% | 0.794 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -75.3 | -15.6 | 170 | -92.3 | -85.5 | 0 | 0 | 0 | 113.6 | N293 A297 | N293-F295 PolarHBondContact O-N 3.39Å; F295-A297 PolarHBondContact O-N 3.38Å |
| 296 | S | 44.2 | Very low | 44.1 | Very low | 95 Ų | 95 | 113 Ų | 113 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -75.1 | -9.2 | 171.9 | -89.7 | 0 | 0 | 0 | 0 | 113.4 | N293 P294 L298 | N293-S296 PolarHBondContact O-N 3.15Å; N293-S296 VanDerWaalsContact O-N 3.11Å; P294-S296 VanDerWaalsContact C-N 3.31Å; S296-L298 VanDerWaalsContact C-N 3.32Å |
| 297 | A | 47.3 | Very low | 43.9 | Very low | 91 Ų | 91 | 119.1 Ų | 119.1 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -83.8 | -4.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P294 F295 | P294-A297 PolarHBondContact O-N 3.4Å; F295-A297 PolarHBondContact O-N 3.38Å |
| 298 | L | 49 | Very low | 43.5 | Very low | 161 Ų | 161 | 116 Ų | 116 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -112.7 | 4 | 178.5 | -145.9 | 79.8 | 0 | 0 | 0 | 113.7 | S296 | S296-L298 VanDerWaalsContact C-N 3.32Š|
| 299 | G | 45.6 | Very low | 43.1 | Very low | 67 Ų | 67 | 113.9 Ų | 113.9 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | -107.4 | 56.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 300 | G | 37.8 | Very low | 43.2 | Very low | 73 Ų | 73 | 120.4 Ų | 120.4 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | -70 | 128.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 301 | N | 38 | Very low | 43.4 | Very low | 154 Ų | 154 | 120.5 Ų | 120.5 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | 86.1 | 94.9 | 152.1 | -145.6 | 74.8 | 0 | 0 | 0 | 118.1 | ||||
| 302 | S | 32.2 | Very low | 43.8 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | -178.6 | 132.8 | 116.8 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 303 | D | 39.3 | Very low | 44 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -52.4 | 129.7 | 169 | -174.5 | -109.3 | 0 | 0 | 0 | 112.7 | ||||
| 304 | S | 33.4 | Very low | 44.5 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 173.6 | 124.9 | 149.6 | -78.4 | 0 | 0 | 0 | 0 | 110.8 | A306 | S304-A306 PolarHBondContact O-N 2.84Š| ||
| 305 | G | 47 | Very low | 44.6 | Very low | 87 Ų | 87 | 136 Ų | 136 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -61.4 | 131.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 306 | A | 38 | Very low | 45.3 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -149.1 | 114.3 | 165 | 0 | 0 | 0 | 0 | 0 | 110.9 | S304 | S304-A306 PolarHBondContact O-N 2.84Š| ||
| 307 | Q | 41.4 | Very low | 46.6 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -19.9 | 138.1 | 158.7 | -148.5 | 156.3 | -95.6 | 0 | 0 | 115.5 | S309 | Q307-S309 PolarHBondContact O-N 3.05Š| ||
| 308 | P | 44.7 | Very low | 47.1 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -67.6 | 123.1 | 171.5 | 27.7 | -31.2 | 0 | 0 | 0 | 109.2 | R310 | P308-R310 VanDerWaalsContact C-N 3.35Å; P308-R310 PolarHBondContact O-N 2.89Å | ||
| 309 | S | 46.5 | Very low | 47.4 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -57.3 | 86.8 | -177.8 | -51.9 | 0 | 0 | 0 | 0 | 112.5 | Q307 T311 | Q307-S309 PolarHBondContact O-N 3.05Å; S309-T311 VanDerWaalsContact C-N 3.28Å; S309-T311 PolarHBondContact O-N 3.25Å | ||
| 310 | R | 51 | Low | 48 | Very low | 248 Ų | 248 | 136.9 Ų | 136.9 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -79.1 | 81.5 | 154.2 | -74.6 | -172.3 | 176.4 | -157.7 | 0.6 | 108 | P308 | P308-R310 VanDerWaalsContact C-N 3.35Å; P308-R310 PolarHBondContact O-N 2.89Å | ||
| 311 | T | 53 | Low | 49.1 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -123.5 | 102.4 | 164 | -18.1 | 0 | 0 | 0 | 0 | 106.3 | S309 N313 | S309-T311 VanDerWaalsContact C-N 3.28Å; S309-T311 PolarHBondContact O-N 3.25Å; T311-N313 PolarHBondContact O-N 3.33Å | ||
| 312 | E | 50.4 | Low | 50.1 | Low | 175 Ų | 175 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -57.6 | 127.9 | 169.5 | -84.8 | 174 | 132 | 0 | 0 | 108.8 | R314 | E312-R314 PolarHBondContact O-N 2.9Š| ||
| 313 | N | 48.2 | Very low | 51.4 | Low | 129 Ų | 129 | 139.5 Ų | 139.5 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -62.3 | 106.1 | 174.6 | -159.5 | 12.9 | 0 | 0 | 0 | 108.3 | T311 | T311-N313 PolarHBondContact O-N 3.33Š| ||
| 314 | R | 54.1 | Low | 52 | Low | 232 Ų | 232 | 138 Ų | 138 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | -95 | 3.7 | -177.4 | -90.7 | -172.1 | 168.1 | -159 | -2.7 | 113.7 | E312 | E312-R314 PolarHBondContact O-N 2.9Š| ||
| 315 | E | 54.5 | Low | 52.4 | Low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -90.2 | 119.9 | 172.8 | -78.8 | 169 | 98.2 | 0 | 0 | 109.4 | L317 | E315-L317 PolarHBondContact O-N 2.72Š|
| 316 | P | 56.4 | Low | 52 | Low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63 | 125.9 | 173.3 | 25.9 | -31.1 | 0 | 0 | 0 | 108.5 | ||
| 317 | L | 71.1 | Confident | 51.9 | Low | 153 Ų | 153 | 142 Ų | 142 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 139 | 174.3 | -71.1 | 150.3 | 0 | 0 | 0 | 109.6 | E315 N319 | E315-L317 PolarHBondContact O-N 2.72Å; L317-N319 PolarHBondContact O-N 3.09Å |
| 318 | P | 58.2 | Low | 51.6 | Low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 134.1 | -179.2 | 24.8 | -32.9 | 0 | 0 | 0 | 110.9 | P320 | P318-P320 WeakPolarHBondContact O-CD 3.41Š|
| 319 | N | 55.4 | Low | 51.2 | Low | 114 Ų | 114 | 141.1 Ų | 141.1 | 61% | 0.61 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 116.6 | -179.1 | -179.5 | 9.6 | 0 | 0 | 0 | 110.9 | L317 W321 G322 | L317-N319 PolarHBondContact O-N 3.09Å; N319-W321 PolarHBondContact O-N 3.46Å; N319-W321 VanDerWaalsContact O-N 3.17Å; N319-W321 PolarHBondContact OD1-N 2.75Å; N319-G322 PolarHBondContact O-N 3.44Å |
| 320 | P | 57.3 | Low | 50.4 | Low | 109 Ų | 109 | 141.9 Ų | 141.9 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -1.7 | -176.3 | 31 | -36.1 | 0 | 0 | 0 | 114.4 | P318 | P318-P320 WeakPolarHBondContact O-CD 3.41Š|
| 321 | W | 60.5 | Low | 49.5 | Very low | 235 Ų | 235 | 138.9 Ų | 138.9 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 15.1 | 175.6 | -60.1 | -45.5 | 0 | 0 | 0 | 113.9 | N319 | N319-W321 PolarHBondContact O-N 3.46Å; N319-W321 VanDerWaalsContact O-N 3.17Å; N319-W321 PolarHBondContact OD1-N 2.75Å |
| 322 | G | 59.3 | Low | 48.3 | Very low | 36 Ų | 36 | 138.4 Ų | 138.4 | 37% | 0.371 | 77% | 0.772 | S | S | . | * | S | Bend | trans | -81.3 | 151.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | N319 | N319-G322 PolarHBondContact O-N 3.44Š|
| 323 | P | 60.6 | Low | 47.3 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -60.9 | 141.1 | 170.3 | 26.7 | -32.6 | 0 | 0 | 0 | 109.9 | N325 | P323-N325 PolarHBondContact O-N 3.03Š| ||
| 324 | P | 50.2 | Low | 46.4 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 110.9 | -174.4 | 26.4 | -33.1 | 0 | 0 | 0 | 110 | S326 | P324-S326 PolarHBondContact O-N 3.17Š| ||
| 325 | N | 41.8 | Very low | 45.2 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -87 | 107.3 | 175.4 | -163.8 | 58.8 | 0 | 0 | 0 | 109.3 | P323 S327 | P323-N325 PolarHBondContact O-N 3.03Å; N325-S327 PolarHBondContact O-N 3.33Å | ||
| 326 | S | 40.4 | Very low | 43.8 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -69.9 | 103.4 | 175.8 | -50.1 | 0 | 0 | 0 | 0 | 110.6 | P324 | P324-S326 PolarHBondContact O-N 3.17Š| ||
| 327 | S | 35.7 | Very low | 42.4 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -90.2 | 104.8 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | N325 | N325-S327 PolarHBondContact O-N 3.33Š| ||
| 328 | N | 33.5 | Very low | 40.4 | Very low | 157 Ų | 157 | 121 Ų | 121 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 134.1 | 161.9 | -132.5 | 40.4 | 0 | 0 | 0 | 108.4 | ||||
| 329 | P | 38 | Very low | 39 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -81.1 | 135.7 | 171.9 | 29.6 | -26.1 | 0 | 0 | 0 | 110.4 | ||||
| 330 | S | 29.5 | Very low | 37.6 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -84.2 | 113.1 | 179 | -160.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 331 | E | 30.9 | Very low | 36.2 | Very low | 184 Ų | 184 | 120.8 Ų | 120.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -103.3 | 141.5 | 167.1 | -153.7 | 172.6 | 134.7 | 0 | 0 | 109.9 | ||||
| 332 | S | 29.1 | Very low | 34.6 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -72.4 | 136.9 | -172.8 | 46.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 333 | G | 28.7 | Very low | 33.2 | Very low | 80 Ų | 80 | 120.2 Ų | 120.2 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 88.1 | 105.4 | 136.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 334 | G | 28.5 | Very low | 31.8 | Very low | 88 Ų | 88 | 118.4 Ų | 118.4 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | 82.7 | 122.6 | 132.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 335 | G | 29.1 | Very low | 31 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | 149.1 | 118.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 336 | T | 26.5 | Very low | 30.5 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 80% | 0.798 | 82% | 0.824 | S | S | * | * | trans | -83.7 | 151.7 | -175.2 | 47.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 337 | T | 25.6 | Very low | 30.4 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | 64.1 | 124.9 | 150.5 | 55.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 338 | G | 29.7 | Very low | 30.7 | Very low | 80 Ų | 80 | 119.7 Ų | 119.7 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 154.2 | 94.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 339 | S | 29 | Very low | 30.9 | Very low | 113 Ų | 113 | 117.1 Ų | 117.1 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | 33.4 | 125.7 | 141.2 | -146.2 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 340 | T | 24.6 | Very low | 30.6 | Very low | 119 Ų | 119 | 118.6 Ų | 118.6 | 73% | 0.73 | 82% | 0.821 | S | S | * | * | 56.9 | 124.1 | 127.7 | -46.1 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 341 | S | 29.8 | Very low | 30.8 | Very low | 103 Ų | 103 | 117.7 Ų | 117.7 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | 158 | 108.1 | 126.9 | 39.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 342 | T | 26.3 | Very low | 31.8 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | 77.7 | 131 | 90.1 | 49.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 343 | S | 29.7 | Very low | 32.4 | Very low | 130 Ų | 130 | 116.7 Ų | 116.7 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | 95.6 | 129 | 161.2 | -50 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 344 | G | 30.4 | Very low | 32.7 | Very low | 82 Ų | 82 | 121 Ų | 121 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | cis | 157.3 | 115.5 | 3.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 345 | T | 34.8 | Very low | 33.8 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -80 | 151 | -178.4 | -45 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 346 | T | 31.2 | Very low | 34.3 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | 174.9 | 137.3 | 129.6 | 37.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 347 | N | 37.4 | Very low | 35.1 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -98.4 | 157 | 166 | -178.5 | 55 | 0 | 0 | 0 | 108.9 | ||||
| 348 | P | 41.8 | Very low | 35.8 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -138.6 | 149.4 | 141.9 | 34.4 | -18.6 | 0 | 0 | 0 | 114.7 | ||||
| 349 | S | 37.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -117 | 142.7 | 168.7 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 350 | V | 32.2 | Very low | 37.9 | Very low | 147 Ų | 147 | 121.4 Ų | 121.4 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -150.2 | 141.7 | 168 | -125.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 351 | S | 34.6 | Very low | 39 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -99.4 | 143.7 | -171.2 | -59.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 352 | N | 50.7 | Low | 39.9 | Very low | 155 Ų | 155 | 122 Ų | 122 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | 30.7 | 133.8 | 146.3 | -112.8 | 49.8 | 0 | 0 | 0 | 121.7 | ||||
| 353 | P | 41.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | -167.2 | 96.4 | 109 | 37.3 | -12.9 | 0 | 0 | 0 | 117.2 | |||||
| 354 | L | 35.9 | Very low | 41.7 | Very low | 172 Ų | 172 | 121.6 Ų | 121.6 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | 171.6 | 117.3 | 146.8 | -125.5 | 59.3 | 0 | 0 | 0 | 110 | ||||
| 355 | G | 50.6 | Low | 42.9 | Very low | 78 Ų | 78 | 126.5 Ų | 126.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -79.8 | 126.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 356 | V | 39.9 | Very low | 43.5 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 92% | 0.915 | 80% | 0.804 | S | S | * | * | trans | -155.8 | 145.5 | 149.3 | -107.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 357 | N | 44.7 | Very low | 44.4 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 66% | 0.658 | 80% | 0.796 | S | S | * | * | trans | -72.7 | 160 | -155.5 | -144.5 | 25.5 | 0 | 0 | 0 | 115.8 | A359 | N357-A359 PolarHBondContact OD1-N 2.97Š| ||
| 358 | P | 39 | Very low | 45.2 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | -148.8 | 78.1 | 94.3 | 38.5 | -19.1 | 0 | 0 | 0 | 112.7 | S360 | P358-S360 PolarHBondContact O-N 2.78Š| |||
| 359 | A | 50.4 | Low | 45.7 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -73.9 | 39.8 | 155 | 0 | 0 | 0 | 0 | 0 | 111.5 | N357 | N357-A359 PolarHBondContact OD1-N 2.97Š| ||
| 360 | S | 52.3 | Low | 46.8 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 56% | 0.559 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -142.1 | 115.5 | 178.4 | -154.8 | 0 | 0 | 0 | 0 | 110.1 | P358 | P358-S360 PolarHBondContact O-N 2.78Š|
| 361 | L | 48.2 | Very low | 48.2 | Very low | 167 Ų | 167 | 122.8 Ų | 122.8 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 77.3 | 90.2 | 177 | -78.4 | 99.2 | 0 | 0 | 0 | 118.1 | ||
| 362 | G | 49.3 | Very low | 49.4 | Very low | 69 Ų | 69 | 122.4 Ų | 122.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | 62.2 | 99.6 | 122.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 363 | N | 50.7 | Low | 49.9 | Very low | 160 Ų | 160 | 118.7 Ų | 118.7 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | trans | -163.5 | 28.9 | 159.5 | -121.5 | 46.1 | 0 | 0 | 0 | 115.1 | ||||
| 364 | G | 43.2 | Very low | 51 | Low | 90 Ų | 90 | 118 Ų | 118 | 93% | 0.928 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -91.1 | -2.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 365 | M | 55 | Low | 52.1 | Low | 185 Ų | 185 | 115.6 Ų | 115.6 | 91% | 0.911 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -122.7 | -5.9 | -166.9 | -154.5 | 163.2 | -168 | 0 | 0 | 115.7 | ||
| 366 | F | 46.4 | Very low | 52.7 | Low | 196 Ų | 196 | 117.5 Ų | 117.5 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -101.6 | 15.8 | -174.3 | -130.7 | -89.1 | 0 | 0 | 0 | 114.9 | ||
| 367 | N | 50 | Low | 53.4 | Low | 128 Ų | 128 | 116.2 Ų | 116.2 | 68% | 0.684 | 69% | 0.687 | S | S | * | * | trans | -133 | 57.1 | -177.5 | -158.1 | 23.5 | 0 | 0 | 0 | 112 | Q372 | N367-Q372 PolarHBondContact OD1-NE2 2.87Š| ||
| 368 | S | 54.5 | Low | 54 | Low | 70 Ų | 70 | 114.7 Ų | 114.7 | 49% | 0.49 | 68% | 0.677 | S | S | . | * | trans | -90.7 | 123.1 | 166.2 | 169.6 | 0 | 0 | 0 | 0 | 109.7 | G370 M371 | S368-G370 PolarHBondContact O-N 2.83Å; S368-G370 VanDerWaalsContact O-N 3.09Å; S368-M371 PolarHBondContact O-N 3.39Å | ||
| 369 | P | 53.1 | Low | 54.9 | Low | 111 Ų | 111 | 112.6 Ų | 112.6 | 72% | 0.721 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -58.9 | -19 | -179 | -24.9 | 32.9 | 0 | 0 | 0 | 115.5 | ||
| 370 | G | 61.4 | Low | 55.6 | Low | 55 Ų | 55 | 115 Ų | 115 | 57% | 0.567 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.8 | -25.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S368 | S368-G370 PolarHBondContact O-N 2.83Å; S368-G370 VanDerWaalsContact O-N 3.09Å |
| 371 | M | 61 | Low | 55.2 | Low | 144 Ų | 144 | 114.4 Ų | 114.4 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -93.4 | -23 | -170.7 | -160.4 | 156.6 | 160.9 | 0 | 0 | 113 | S368 L375 | S368-M371 PolarHBondContact O-N 3.39Å; M371-L375 PolarHBondContact O-N 2.72Å |
| 372 | Q | 60.5 | Low | 56.1 | Low | 106 Ų | 106 | 111 Ų | 111 | 50% | 0.495 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72.3 | -34.8 | 171.6 | -71.3 | 163.8 | 2.4 | 0 | 0 | 111.8 | N367 L374 L375 Q376 | N367-Q372 PolarHBondContact OD1-NE2 2.87Å; Q372-L374 PolarHBondContact O-N 3.09Å; Q372-L375 PolarHBondContact O-N 3.43Å; Q372-Q376 PolarHBondContact O-N 2.8Å; Q372-Q376 VanDerWaalsContact O-N 3.09Å |
| 373 | S | 60.8 | Low | 56.4 | Low | 76 Ų | 76 | 114.7 Ų | 114.7 | 53% | 0.531 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.8 | -35.8 | 176.9 | -169 | 0 | 0 | 0 | 0 | 112.6 | Q377 | S373-Q377 VanDerWaalsContact O-CB 3.29Å; S373-Q377 WeakPolarHBondContact O-CB 3.48Å; S373-Q377 PolarHBondContact O-N 2.72Å; S373-Q377 VanDerWaalsContact O-N 3.1Å |
| 374 | L | 63.7 | Low | 57.1 | Low | 106 Ų | 106 | 111.7 Ų | 111.7 | 56% | 0.555 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.4 | -35.2 | 178.6 | -170.3 | 65.7 | 0 | 0 | 0 | 111.9 | Q372 Q377 I378 | Q372-L374 PolarHBondContact O-N 3.09Å; L374-Q377 PolarHBondContact O-N 3.19Å; L374-I378 PolarHBondContact O-N 3.49Å |
| 375 | L | 60 | Low | 57.7 | Low | 121 Ų | 121 | 113.2 Ų | 113.2 | 63% | 0.634 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.2 | -32.7 | 178.3 | -158.7 | 69.7 | 0 | 0 | 0 | 112 | M371 Q372 S379 | M371-L375 PolarHBondContact O-N 2.72Å; Q372-L375 PolarHBondContact O-N 3.43Å; L375-S379 PolarHBondContact O-N 3.42Å |
| 376 | Q | 62.3 | Low | 57.4 | Low | 118 Ų | 118 | 108.6 Ų | 108.6 | 55% | 0.551 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.8 | -42.7 | 172.4 | -153.5 | 76.6 | 73 | 0 | 0 | 111.4 | Q372 I378 S379 E380 | Q372-Q376 PolarHBondContact O-N 2.8Å; Q372-Q376 VanDerWaalsContact O-N 3.09Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 3.47Å; Q376-S379 PolarHBondContact O-N 2.72Å; Q376-S379 PolarHBondContact O-OG 3.35Å; Q376-E380 WeakPolarHBondContact O-CG 3.14Å; Q376-E380 PolarHBondContact O-N 2.71Å |
| 377 | Q | 54.4 | Low | 57.6 | Low | 124 Ų | 124 | 105.1 Ų | 105.1 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.8 | -28.4 | -179.8 | -170.9 | 172 | -7.4 | 0 | 0 | 113.7 | S373 L374 | S373-Q377 VanDerWaalsContact O-CB 3.29Å; S373-Q377 WeakPolarHBondContact O-CB 3.48Å; S373-Q377 PolarHBondContact O-N 2.72Å; S373-Q377 VanDerWaalsContact O-N 3.1Å; L374-Q377 PolarHBondContact O-N 3.19Å |
| 378 | I | 56.8 | Low | 57.8 | Low | 90 Ų | 90 | 104.7 Ų | 104.7 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.2 | -34.3 | 170.1 | -90 | 168.1 | 0 | 0 | 0 | 111.8 | L374 Q376 | L374-I378 PolarHBondContact O-N 3.49Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 3.47Å |
| 379 | S | 59.5 | Low | 57.8 | Low | 74 Ų | 74 | 103.8 Ų | 103.8 | 52% | 0.517 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -75.5 | -28.9 | 179.6 | 73.8 | 0 | 0 | 0 | 0 | 113.6 | L375 Q376 | L375-S379 PolarHBondContact O-N 3.42Å; Q376-S379 PolarHBondContact O-N 2.72Å; Q376-S379 PolarHBondContact O-OG 3.35Å |
| 380 | E | 64.8 | Low | 57.9 | Low | 145 Ų | 145 | 102 Ų | 102 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -85 | -14.8 | -177 | -71.3 | -176.8 | 128.9 | 0 | 0 | 113.9 | Q376 P382 | Q376-E380 WeakPolarHBondContact O-CG 3.14Å; Q376-E380 PolarHBondContact O-N 2.71Å; E380-P382 VanDerWaalsContact C-CD 3.48Å; E380-P382 WeakPolarHBondContact O-CD 3.48Å |
| 381 | N | 44.6 | Very low | 57.7 | Low | 67 Ų | 67 | 100.8 Ų | 100.8 | 36% | 0.358 | 53% | 0.532 | S | S | . | . | trans | -116.6 | 78.6 | -177 | -153.7 | 7.9 | 0 | 0 | 0 | 112.7 | Q383 L384 M385 | N381-Q383 PolarHBondContact O-N 2.67Å; N381-Q383 VanDerWaalsContact O-N 3.15Å; N381-L384 HydrophobicContact CB-CB 4.01Å; N381-L384 WeakPolarHBondContact O-CB 3.14Å; N381-L384 PolarHBondContact O-N 2.72Å; N381-M385 PolarHBondContact O-N 3.25Å | ||
| 382 | P | 65.4 | Low | 57.2 | Low | 96 Ų | 96 | 99.3 Ų | 99.3 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.2 | -21.3 | 179 | 25.9 | -34 | 0 | 0 | 0 | 112.4 | E380 Q386 | E380-P382 VanDerWaalsContact C-CD 3.48Å; E380-P382 WeakPolarHBondContact O-CD 3.48Å; P382-Q386 VanDerWaalsContact O-CB 3.32Å; P382-Q386 WeakPolarHBondContact O-CB 3.39Å; P382-Q386 PolarHBondContact O-N 3.3Å |
| 383 | Q | 55.9 | Low | 56.8 | Low | 147 Ų | 147 | 102.6 Ų | 102.6 | 69% | 0.687 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.9 | -27 | 173.1 | -76.5 | 176.3 | -30.2 | 0 | 0 | 113.2 | N381 Q386 N387 | N381-Q383 PolarHBondContact O-N 2.67Å; N381-Q383 VanDerWaalsContact O-N 3.15Å; Q383-Q386 PolarHBondContact O-N 2.6Å; Q383-N387 WeakPolarHBondContact O-CB 3.18Å; Q383-N387 PolarHBondContact O-N 3.08Å |
| 384 | L | 65.3 | Low | 56.5 | Low | 97 Ų | 97 | 102.1 Ų | 102.1 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.9 | -41 | 172.5 | -159.7 | 89.5 | 0 | 0 | 0 | 110.2 | N381 Q386 N387 M388 | N381-L384 HydrophobicContact CB-CB 4.01Å; N381-L384 WeakPolarHBondContact O-CB 3.14Å; N381-L384 PolarHBondContact O-N 2.72Å; L384-Q386 VanDerWaalsContact C-N 3.33Å; L384-N387 PolarHBondContact O-N 2.65Å; L384-M388 WeakPolarHBondContact O-CB 3.16Å; L384-M388 PolarHBondContact O-N 3.1Å |
| 385 | M | 56.3 | Low | 56.1 | Low | 121 Ų | 121 | 102.9 Ų | 102.9 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.7 | -35.3 | 171.9 | -164 | 170.8 | 114.8 | 0 | 0 | 111.4 | N381 M388 L389 | N381-M385 PolarHBondContact O-N 3.25Å; M385-M388 PolarHBondContact O-N 2.88Å; M385-L389 WeakPolarHBondContact O-CB 3.17Å; M385-L389 PolarHBondContact O-N 2.75Å |
| 386 | Q | 49.8 | Very low | 56.3 | Low | 89 Ų | 89 | 100.7 Ų | 100.7 | 42% | 0.416 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 172.3 | -166.8 | 76.3 | 59.9 | 0 | 0 | 112 | P382 Q383 L384 M388 L389 S390 | P382-Q386 VanDerWaalsContact O-CB 3.32Å; P382-Q386 WeakPolarHBondContact O-CB 3.39Å; P382-Q386 PolarHBondContact O-N 3.3Å; Q383-Q386 PolarHBondContact O-N 2.6Å; L384-Q386 VanDerWaalsContact C-N 3.33Å; Q386-M388 VanDerWaalsContact C-N 3.32Å; Q386-L389 PolarHBondContact O-N 2.68Å; Q386-S390 WeakPolarHBondContact O-CB 3.29Å; Q386-S390 PolarHBondContact O-N 2.8Å; Q386-S390 PolarHBondContact O-OG 2.79Å |
| 387 | N | 50 | Low | 56.1 | Low | 122 Ų | 122 | 99.1 Ų | 99.1 | 65% | 0.652 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.1 | -32.3 | 173.8 | -110.1 | -31.8 | 0 | 0 | 0 | 112 | Q383 L384 S390 A391 | Q383-N387 WeakPolarHBondContact O-CB 3.18Å; Q383-N387 PolarHBondContact O-N 3.08Å; L384-N387 PolarHBondContact O-N 2.65Å; N387-S390 WeakPolarHBondContact CA-OG 3.34Å; N387-A391 PolarHBondContact O-N 3.22Å |
| 388 | M | 53.6 | Low | 56.2 | Low | 119 Ų | 119 | 94.9 Ų | 94.9 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -75.8 | -36.7 | 174.5 | -165.6 | 152.9 | 73.9 | 0 | 0 | 112.2 | L384 M385 Q386 A391 M394 | L384-M388 WeakPolarHBondContact O-CB 3.16Å; L384-M388 PolarHBondContact O-N 3.1Å; M385-M388 PolarHBondContact O-N 2.88Å; Q386-M388 VanDerWaalsContact C-N 3.32Å; M388-A391 WeakPolarHBondContact O-CB 3.42Å; M388-A391 PolarHBondContact O-N 3.32Å; M388-M394 WeakPolarHBondContact O-CB 3.42Å |
| 389 | L | 55.1 | Low | 56.3 | Low | 51 Ų | 51 | 95.6 Ų | 95.6 | 27% | 0.267 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -78.6 | -32.1 | 179.3 | -158.6 | 73.4 | 0 | 0 | 0 | 112.5 | M385 Q386 M394 M448 | M385-L389 WeakPolarHBondContact O-CB 3.17Å; M385-L389 PolarHBondContact O-N 2.75Å; Q386-L389 PolarHBondContact O-N 2.68Å; L389-M394 HydrophobicContact CD1-CE 3.41Å; L389-M394 VanDerWaalsContact CD1-CE 3.41Å; L389-M394 HydrophobicContact CD1-CG 4.25Å; L389-M448 HydrophobicContact CD2-CE 3.58Å; L389-M448 HydrophobicContact CG-CE 4.31Å |
| 390 | S | 54.8 | Low | 56.4 | Low | 74 Ų | 74 | 94.1 Ų | 94.1 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -81 | -3.9 | 172.4 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | Q386 N387 | Q386-S390 WeakPolarHBondContact O-CB 3.29Å; Q386-S390 PolarHBondContact O-N 2.8Å; Q386-S390 PolarHBondContact O-OG 2.79Å; N387-S390 WeakPolarHBondContact CA-OG 3.34Å |
| 391 | A | 56.5 | Low | 56.2 | Low | 29 Ų | 29 | 89.5 Ų | 89.5 | 24% | 0.24 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -59.4 | 131.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N387 M388 Y393 M394 R395 | N387-A391 PolarHBondContact O-N 3.22Å; M388-A391 WeakPolarHBondContact O-CB 3.42Å; M388-A391 PolarHBondContact O-N 3.32Å; A391-Y393 PolarHBondContact O-N 3.08Å; A391-Y393 VanDerWaalsContact O-N 3.1Å; A391-M394 HydrophobicContact CB-CB 4.33Å; A391-M394 WeakPolarHBondContact O-CB 3.15Å; A391-M394 PolarHBondContact O-N 3.39Å; A391-R395 PolarHBondContact O-N 2.79Å |
| 392 | P | 50.7 | Low | 57.2 | Low | 114 Ų | 114 | 87 Ų | 87 | 74% | 0.74 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.2 | -25.3 | -178.3 | 23.8 | -32.9 | 0 | 0 | 0 | 112.2 | S396 | P392-S396 WeakPolarHBondContact O-CB 3.3Å; P392-S396 PolarHBondContact O-N 2.73Å |
| 393 | Y | 52.7 | Low | 57.2 | Low | 175 Ų | 175 | 88.8 Ų | 88.8 | 69% | 0.686 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -67.3 | -42.8 | 171.7 | -177.5 | -101.6 | 0 | 0 | 0 | 112.9 | A391 R395 S396 M397 | A391-Y393 PolarHBondContact O-N 3.08Å; A391-Y393 VanDerWaalsContact O-N 3.1Å; Y393-R395 VanDerWaalsContact C-N 3.32Å; Y393-S396 PolarHBondContact O-N 2.82Å; Y393-M397 VanDerWaalsContact O-CB 3.31Å; Y393-M397 WeakPolarHBondContact O-CB 3.16Å; Y393-M397 PolarHBondContact O-N 2.98Å |
| 394 | M | 54 | Low | 57.1 | Low | 66 Ų | 66 | 86.4 Ų | 86.4 | 33% | 0.325 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 175.7 | -165.3 | 98.2 | 143.1 | 0 | 0 | 110.4 | M388 L389 A391 M397 M398 | M388-M394 WeakPolarHBondContact O-CB 3.42Å; L389-M394 HydrophobicContact CD1-CE 3.41Å; L389-M394 VanDerWaalsContact CD1-CE 3.41Å; L389-M394 HydrophobicContact CD1-CG 4.25Å; A391-M394 HydrophobicContact CB-CB 4.33Å; A391-M394 WeakPolarHBondContact O-CB 3.15Å; A391-M394 PolarHBondContact O-N 3.39Å; M394-M397 PolarHBondContact O-N 2.88Å; M394-M398 WeakPolarHBondContact O-CA 3.03Å; M394-M398 WeakPolarHBondContact O-CB 3.44Å; M394-M398 PolarHBondContact O-N 3.11Å |
| 395 | R | 55.9 | Low | 57 | Low | 121 Ų | 121 | 85.7 Ų | 85.7 | 46% | 0.457 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 174.8 | -156.8 | 176.4 | 177.3 | 161 | 0 | 111.8 | A391 Y393 Q399 | A391-R395 PolarHBondContact O-N 2.79Å; Y393-R395 VanDerWaalsContact C-N 3.32Å; R395-Q399 WeakPolarHBondContact O-CB 3.16Å; R395-Q399 PolarHBondContact O-N 3.19Å |
| 396 | S | 64.4 | Low | 57.5 | Low | 76 Ų | 76 | 87 Ų | 87 | 53% | 0.531 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 172.7 | -174.3 | 0 | 0 | 0 | 0 | 112.6 | P392 Y393 Q399 S400 | P392-S396 WeakPolarHBondContact O-CB 3.3Å; P392-S396 PolarHBondContact O-N 2.73Å; Y393-S396 PolarHBondContact O-N 2.82Å; S396-Q399 PolarHBondContact O-N 3.35Å; S396-S400 WeakPolarHBondContact O-CB 3.33Å; S396-S400 PolarHBondContact O-N 3.31Å; S396-S400 PolarHBondContact O-OG 3.43Å |
| 397 | M | 57.9 | Low | 58.5 | Low | 84 Ų | 84 | 86.5 Ų | 86.5 | 41% | 0.414 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 177.2 | 176.4 | 160.8 | -98.1 | 0 | 0 | 111.1 | Y393 M394 S400 L401 | Y393-M397 VanDerWaalsContact O-CB 3.31Å; Y393-M397 WeakPolarHBondContact O-CB 3.16Å; Y393-M397 PolarHBondContact O-N 2.98Å; M394-M397 PolarHBondContact O-N 2.88Å; M397-S400 WeakPolarHBondContact CA-OG 3.5Å; M397-S400 PolarHBondContact O-N 2.81Å; M397-S400 PolarHBondContact O-OG 3.26Å; M397-L401 VanDerWaalsContact O-CB 3.24Å; M397-L401 WeakPolarHBondContact O-CB 3.09Å; M397-L401 PolarHBondContact O-N 3.04Å |
| 398 | M | 55.3 | Low | 59.1 | Low | 36 Ų | 36 | 80.8 Ų | 80.8 | 18% | 0.177 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -74.4 | -31.5 | 177.8 | -166.7 | 172.6 | -156.1 | 0 | 0 | 111.3 | M394 L401 A402 F435 M439 M448 | M394-M398 WeakPolarHBondContact O-CA 3.03Å; M394-M398 WeakPolarHBondContact O-CB 3.44Å; M394-M398 PolarHBondContact O-N 3.11Å; M398-L401 WeakPolarHBondContact O-CB 3.21Å; M398-L401 PolarHBondContact O-N 3.28Å; M398-A402 VanDerWaalsContact O-CB 3.23Å; M398-A402 WeakPolarHBondContact O-CB 3.36Å; M398-A402 PolarHBondContact O-N 2.79Å; M398-F435 HydrophobicContact CE-CE1 3.58Å; M398-F435 HydrophobicContact CE-CZ 3.45Å; M398-F435 VanDerWaalsContact CE-CZ 3.45Å; M398-M439 HydrophobicContact CE-CE 3.27Å; M398-M439 HydrophobicContact CE-CG 4.35Å; M398-M439 HydrophobicContact CE-SD 3.2Å; M398-M439 WeakPolarHBondContact CE-SD 3.48Å; M398-M439 HydrophobicContact CG-CE 3.32Å; M398-M439 HydrophobicContact CG-SD 3.32Å; M398-M439 WeakPolarHBondContact CG-SD 2.99Å; M398-M439 HydrophobicContact SD-CE 3.85Å; M398-M439 HydrophobicContact SD-SD 3.3Å; M398-M448 HydrophobicContact CE-CE 4.23Å |
| 399 | Q | 59 | Low | 59.4 | Low | 105 Ų | 105 | 77.4 Ų | 77.4 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -76.4 | -33.1 | 172.2 | -168.9 | 156.5 | -0.1 | 0 | 0 | 112.1 | R395 S396 A402 Q403 | R395-Q399 WeakPolarHBondContact O-CB 3.16Å; R395-Q399 PolarHBondContact O-N 3.19Å; S396-Q399 PolarHBondContact O-N 3.35Å; Q399-A402 PolarHBondContact O-N 3.2Å; Q399-Q403 WeakPolarHBondContact O-CB 3.24Å; Q399-Q403 VanDerWaalsContact O-CG 3.23Å; Q399-Q403 WeakPolarHBondContact O-CG 3.43Å; Q399-Q403 PolarHBondContact O-N 3.39Å |
| 400 | S | 62.8 | Low | 59.7 | Low | 42 Ų | 42 | 80.6 Ų | 80.6 | 29% | 0.294 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72.4 | -31.8 | 168.6 | 73.6 | 0 | 0 | 0 | 0 | 111.8 | S396 M397 A402 Q403 N404 | S396-S400 WeakPolarHBondContact O-CB 3.33Å; S396-S400 PolarHBondContact O-N 3.31Å; S396-S400 PolarHBondContact O-OG 3.43Å; M397-S400 WeakPolarHBondContact CA-OG 3.5Å; M397-S400 PolarHBondContact O-N 2.81Å; M397-S400 PolarHBondContact O-OG 3.26Å; S400-A402 VanDerWaalsContact C-N 3.35Å; S400-Q403 PolarHBondContact O-N 3.39Å; S400-N404 WeakPolarHBondContact O-CB 3.45Å; S400-N404 PolarHBondContact O-N 3.2Å |
| 401 | L | 59.8 | Low | 60 | Low | 48 Ų | 48 | 80.4 Ų | 80.4 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 169.1 | -137.6 | 60.1 | 0 | 0 | 0 | 111.9 | M397 M398 Q403 N404 A408 | M397-L401 VanDerWaalsContact O-CB 3.24Å; M397-L401 WeakPolarHBondContact O-CB 3.09Å; M397-L401 PolarHBondContact O-N 3.04Å; M398-L401 WeakPolarHBondContact O-CB 3.21Å; M398-L401 PolarHBondContact O-N 3.28Å; L401-Q403 VanDerWaalsContact C-N 3.35Å; L401-N404 CarbonylContact O-C 3.51Å; L401-A408 HydrophobicContact CD1-CB 3.5Å; L401-A408 HydrophobicContact CD2-CB 4.19Å; L401-A408 HydrophobicContact CG-CB 3.4Å |
| 402 | A | 65.4 | Low | 60.1 | Low | 14 Ų | 14 | 80.5 Ų | 80.5 | 12% | 0.116 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -72.6 | -28.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M398 Q399 S400 L436 | M398-A402 VanDerWaalsContact O-CB 3.23Å; M398-A402 WeakPolarHBondContact O-CB 3.36Å; M398-A402 PolarHBondContact O-N 2.79Å; Q399-A402 PolarHBondContact O-N 3.2Å; S400-A402 VanDerWaalsContact C-N 3.35Å; A402-L436 HydrophobicContact CB-CD1 4.31Å; A402-L436 HydrophobicContact CB-CG 4.18Å |
| 403 | Q | 66.4 | Low | 60.7 | Low | 134 Ų | 134 | 81.2 Ų | 81.2 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -87.2 | -32.4 | 175.6 | -71.4 | 173.1 | 12.6 | 0 | 0 | 112.2 | Q399 S400 L401 P405 | Q399-Q403 WeakPolarHBondContact O-CB 3.24Å; Q399-Q403 VanDerWaalsContact O-CG 3.23Å; Q399-Q403 WeakPolarHBondContact O-CG 3.43Å; Q399-Q403 PolarHBondContact O-N 3.39Å; S400-Q403 PolarHBondContact O-N 3.39Å; L401-Q403 VanDerWaalsContact C-N 3.35Å; Q403-P405 WeakPolarHBondContact O-CD 3.24Å |
| 404 | N | 53.6 | Low | 61 | Low | 97 Ų | 97 | 79.3 Ų | 79.3 | 52% | 0.519 | 41% | 0.413 | S | S | . | . | trans | -119.7 | 87.6 | 178.5 | -81.9 | 10.2 | 0 | 0 | 0 | 111.4 | S400 L401 E406 L407 A408 | S400-N404 WeakPolarHBondContact O-CB 3.45Å; S400-N404 PolarHBondContact O-N 3.2Å; L401-N404 CarbonylContact O-C 3.51Å; N404-E406 PolarHBondContact O-N 2.94Å; N404-L407 HydrophobicContact CB-CB 3.84Å; N404-L407 WeakPolarHBondContact O-CB 3.25Å; N404-L407 PolarHBondContact O-N 3.24Å; N404-A408 PolarHBondContact O-N 3.33Å | ||
| 405 | P | 63 | Low | 61.1 | Low | 83 Ų | 83 | 79.2 Ų | 79.2 | 54% | 0.539 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.1 | -25.9 | 178.1 | 25.8 | -34.4 | 0 | 0 | 0 | 113.2 | Q403 A408 S409 | Q403-P405 WeakPolarHBondContact O-CD 3.24Å; P405-A408 WeakPolarHBondContact O-CB 3.05Å; P405-A408 PolarHBondContact O-N 2.8Å; P405-S409 PolarHBondContact O-N 3.47Å; P405-S409 VanDerWaalsContact O-N 3.09Å; P405-S409 PolarHBondContact O-OG 3.04Å |
| 406 | E | 67.6 | Low | 61.1 | Low | 148 Ų | 148 | 78.3 Ų | 78.3 | 69% | 0.692 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -69.8 | -32.4 | 172.8 | -89.6 | -98.7 | 92.1 | 0 | 0 | 112.7 | N404 A408 S409 Q410 | N404-E406 PolarHBondContact O-N 2.94Å; E406-A408 VanDerWaalsContact C-N 3.3Å; E406-S409 WeakPolarHBondContact CA-OG 3.28Å; E406-S409 PolarHBondContact O-OG 3.44Å; E406-Q410 VanDerWaalsContact O-CB 3.25Å; E406-Q410 WeakPolarHBondContact O-CB 3.19Å; E406-Q410 PolarHBondContact O-N 3.38Å |
| 407 | L | 70.1 | Confident | 60.9 | Low | 78 Ų | 78 | 80.8 Ų | 80.8 | 41% | 0.408 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.9 | -31 | 174.8 | -171.8 | 67 | 0 | 0 | 0 | 110.5 | N404 Q410 V411 | N404-L407 HydrophobicContact CB-CB 3.84Å; N404-L407 WeakPolarHBondContact O-CB 3.25Å; N404-L407 PolarHBondContact O-N 3.24Å; L407-Q410 PolarHBondContact O-N 3.36Å; L407-V411 HydrophobicContact CG-CG2 4.49Å; L407-V411 WeakPolarHBondContact O-CB 3.26Å; L407-V411 VanDerWaalsContact O-CG2 3.27Å; L407-V411 WeakPolarHBondContact O-CG2 3.28Å; L407-V411 PolarHBondContact O-N 3.25Å |
| 408 | A | 61.8 | Low | 61 | Low | 3 Ų | 3 | 78.6 Ų | 78.6 | 3% | 0.025 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66 | -49.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L401 N404 P405 E406 Q410 V411 M412 | L401-A408 HydrophobicContact CD1-CB 3.5Å; L401-A408 HydrophobicContact CD2-CB 4.19Å; L401-A408 HydrophobicContact CG-CB 3.4Å; N404-A408 PolarHBondContact O-N 3.33Å; P405-A408 WeakPolarHBondContact O-CB 3.05Å; P405-A408 PolarHBondContact O-N 2.8Å; E406-A408 VanDerWaalsContact C-N 3.3Å; A408-Q410 VanDerWaalsContact C-N 3.3Å; A408-Q410 PolarHBondContact O-N 3.49Å; A408-V411 PolarHBondContact O-N 3.46Å; A408-M412 WeakPolarHBondContact O-CB 3.41Å; A408-M412 WeakPolarHBondContact O-CG 3.22Å; A408-M412 PolarHBondContact O-N 2.8Å |
| 409 | S | 60.7 | Low | 61.3 | Low | 47 Ų | 47 | 80.3 Ų | 80.3 | 33% | 0.329 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 173.9 | 55.5 | 0 | 0 | 0 | 0 | 110 | P405 E406 M412 M413 | P405-S409 PolarHBondContact O-N 3.47Å; P405-S409 VanDerWaalsContact O-N 3.09Å; P405-S409 PolarHBondContact O-OG 3.04Å; E406-S409 WeakPolarHBondContact CA-OG 3.28Å; E406-S409 PolarHBondContact O-OG 3.44Å; S409-M412 PolarHBondContact O-N 2.87Å; S409-M413 VanDerWaalsContact O-CB 3.24Å; S409-M413 WeakPolarHBondContact O-CB 3.17Å; S409-M413 PolarHBondContact O-N 2.85Å |
| 410 | Q | 61.4 | Low | 61.4 | Low | 119 Ų | 119 | 78 Ų | 78 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.8 | -49.2 | 178.2 | -164.4 | 89.3 | 11.8 | 0 | 0 | 112.5 | E406 L407 A408 M413 N414 | E406-Q410 VanDerWaalsContact O-CB 3.25Å; E406-Q410 WeakPolarHBondContact O-CB 3.19Å; E406-Q410 PolarHBondContact O-N 3.38Å; L407-Q410 PolarHBondContact O-N 3.36Å; A408-Q410 VanDerWaalsContact C-N 3.3Å; A408-Q410 PolarHBondContact O-N 3.49Å; Q410-M413 PolarHBondContact O-N 3.3Å; Q410-N414 WeakPolarHBondContact O-CB 3.12Å; Q410-N414 PolarHBondContact O-N 2.82Å |
| 411 | V | 61.5 | Low | 61.2 | Low | 70 Ų | 70 | 80.5 Ų | 80.5 | 42% | 0.424 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | -179.7 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L407 A408 N415 | L407-V411 HydrophobicContact CG-CG2 4.49Å; L407-V411 WeakPolarHBondContact O-CB 3.26Å; L407-V411 VanDerWaalsContact O-CG2 3.27Å; L407-V411 WeakPolarHBondContact O-CG2 3.28Å; L407-V411 PolarHBondContact O-N 3.25Å; A408-V411 PolarHBondContact O-N 3.46Å; V411-N415 VanDerWaalsContact O-CB 3.23Å; V411-N415 WeakPolarHBondContact O-CB 3.34Å; V411-N415 PolarHBondContact O-N 3.36Å |
| 412 | M | 57.9 | Low | 61.6 | Low | 31 Ų | 31 | 82.2 Ų | 82.2 | 15% | 0.153 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.2 | -37.4 | 173.2 | -80 | -148.4 | 148.7 | 0 | 0 | 113.5 | A408 S409 N414 N415 F418 F428 L432 | A408-M412 WeakPolarHBondContact O-CB 3.41Å; A408-M412 WeakPolarHBondContact O-CG 3.22Å; A408-M412 PolarHBondContact O-N 2.8Å; S409-M412 PolarHBondContact O-N 2.87Å; M412-N414 VanDerWaalsContact C-N 3.31Å; M412-N415 PolarHBondContact O-N 2.89Å; M412-F418 HydrophobicContact CE-CD1 4.32Å; M412-F418 HydrophobicContact CE-CE1 4.03Å; M412-F418 HydrophobicContact CE-CE2 4.38Å; M412-F418 HydrophobicContact CE-CZ 4.06Å; M412-F428 HydrophobicContact CE-CD1 3.1Å; M412-F428 HydrophobicContact CE-CD2 4.08Å; M412-F428 HydrophobicContact CE-CE1 2.97Å; M412-F428 HydrophobicContact CE-CE2 3.99Å; M412-F428 HydrophobicContact CE-CG 3.67Å; M412-F428 HydrophobicContact CE-CZ 3.45Å; M412-F428 VanDerWaalsContact CE-CZ 3.45Å; M412-F428 HydrophobicContact SD-CD1 3.21Å; M412-F428 WeakPolarHBondContact SD-CD1 3.23Å; M412-F428 HydrophobicContact SD-CE1 3.51Å; M412-F428 VanDerWaalsContact SD-CE1 3.51Å; M412-F428 HydrophobicContact SD-CG 4.03Å; M412-L432 HydrophobicContact SD-CD1 4.27Å |
| 413 | M | 62.7 | Low | 61.9 | Low | 129 Ų | 129 | 89.5 Ų | 89.5 | 64% | 0.635 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72.1 | -30.1 | 178.6 | -142.4 | 150.8 | 170.5 | 0 | 0 | 111.4 | S409 Q410 | S409-M413 VanDerWaalsContact O-CB 3.24Å; S409-M413 WeakPolarHBondContact O-CB 3.17Å; S409-M413 PolarHBondContact O-N 2.85Å; Q410-M413 PolarHBondContact O-N 3.3Å |
| 414 | N | 59.6 | Low | 62 | Low | 134 Ų | 134 | 86.7 Ų | 86.7 | 72% | 0.717 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -88.7 | -5.4 | 174.5 | -111 | 0 | 0 | 0 | 0 | 114.4 | Q410 M412 P416 | Q410-N414 WeakPolarHBondContact O-CB 3.12Å; Q410-N414 PolarHBondContact O-N 2.82Å; M412-N414 VanDerWaalsContact C-N 3.31Å; N414-P416 VanDerWaalsContact O-CD 3.31Å; N414-P416 WeakPolarHBondContact O-CD 3.39Å |
| 415 | N | 55.4 | Low | 62.6 | Low | 64 Ų | 64 | 83.6 Ų | 83.6 | 34% | 0.342 | 47% | 0.465 | S | S | . | . | trans | -88.8 | 112.7 | 178.8 | -168.1 | -14.4 | 0 | 0 | 0 | 109.7 | V411 M412 L417 F418 S419 | V411-N415 VanDerWaalsContact O-CB 3.23Å; V411-N415 WeakPolarHBondContact O-CB 3.34Å; V411-N415 PolarHBondContact O-N 3.36Å; M412-N415 PolarHBondContact O-N 2.89Å; N415-L417 PolarHBondContact O-N 3.44Å; N415-L417 PolarHBondContact OD1-N 3.44Å; N415-F418 HydrophobicContact CB-CD2 3.98Å; N415-F418 PolarHBondContact O-N 3.03Å; N415-S419 PolarHBondContact O-N 3.26Å; N415-S419 VanDerWaalsContact O-N 3.14Å | ||
| 416 | P | 57.2 | Low | 63 | Low | 102 Ų | 102 | 84.7 Ų | 84.7 | 66% | 0.662 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62 | -17.8 | -173.6 | 23.4 | -33.9 | 0 | 0 | 0 | 113.9 | N414 F418 S419 | N414-P416 VanDerWaalsContact O-CD 3.31Å; N414-P416 WeakPolarHBondContact O-CD 3.39Å; P416-F418 VanDerWaalsContact C-N 3.34Å; P416-S419 WeakPolarHBondContact CA-OG 3.34Å; P416-S419 PolarHBondContact O-OG 2.83Å |
| 417 | L | 59.5 | Low | 62.7 | Low | 128 Ų | 128 | 83.1 Ų | 83.1 | 67% | 0.67 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70.4 | -28.6 | 174.5 | -151.6 | 88.8 | 0 | 0 | 0 | 112.9 | N415 | N415-L417 PolarHBondContact O-N 3.44Å; N415-L417 PolarHBondContact OD1-N 3.44Å |
| 418 | F | 59.8 | Low | 62.3 | Low | 39 Ų | 39 | 82.7 Ų | 82.7 | 17% | 0.171 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -102.3 | -29.3 | -178 | -66.4 | -85 | 0 | 0 | 0 | 112.4 | M412 N415 P416 G420 N421 L424 | M412-F418 HydrophobicContact CE-CD1 4.32Å; M412-F418 HydrophobicContact CE-CE1 4.03Å; M412-F418 HydrophobicContact CE-CE2 4.38Å; M412-F418 HydrophobicContact CE-CZ 4.06Å; N415-F418 HydrophobicContact CB-CD2 3.98Å; N415-F418 PolarHBondContact O-N 3.03Å; P416-F418 VanDerWaalsContact C-N 3.34Å; F418-G420 PolarHBondContact O-N 3.49Å; F418-N421 CarbonylContact O-C 3.6Å; F418-N421 PolarHBondContact O-N 3.12Å; F418-L424 HydrophobicContact CD1-CD2 3.99Å; F418-L424 HydrophobicContact CE1-CD2 3.88Å |
| 419 | S | 62 | Low | 62.6 | Low | 72 Ų | 72 | 88.8 Ų | 88.8 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.4 | -23.8 | 175 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | N415 P416 | N415-S419 PolarHBondContact O-N 3.26Å; N415-S419 VanDerWaalsContact O-N 3.14Å; P416-S419 WeakPolarHBondContact CA-OG 3.34Å; P416-S419 PolarHBondContact O-OG 2.83Å |
| 420 | G | 61.1 | Low | 62.9 | Low | 55 Ų | 55 | 90.3 Ų | 90.3 | 57% | 0.567 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -15.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F418 | F418-G420 PolarHBondContact O-N 3.49Š|
| 421 | N | 57.6 | Low | 62.6 | Low | 96 Ų | 96 | 89.9 Ų | 89.9 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | trans | -129.5 | 81.1 | -173.2 | -108.2 | 52.7 | 0 | 0 | 0 | 111.3 | F418 Q423 L424 Q425 | F418-N421 CarbonylContact O-C 3.6Å; F418-N421 PolarHBondContact O-N 3.12Å; N421-Q423 VanDerWaalsContact C-N 3.26Å; N421-Q423 PolarHBondContact O-N 3.27Å; N421-L424 HydrophobicContact CB-CB 4.16Å; N421-L424 PolarHBondContact O-N 2.99Å; N421-L424 VanDerWaalsContact O-N 3.14Å; N421-Q425 PolarHBondContact O-N 2.79Å; N421-Q425 VanDerWaalsContact O-N 3.13Å | ||
| 422 | P | 69.2 | Low | 62.8 | Low | 83 Ų | 83 | 87.9 Ų | 87.9 | 54% | 0.539 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -31.4 | -174 | 23.7 | -33.7 | 0 | 0 | 0 | 113.1 | Q425 E426 | P422-Q425 WeakPolarHBondContact O-CB 3.5Å; P422-Q425 PolarHBondContact O-N 3.47Å; P422-E426 PolarHBondContact O-N 3.25Å |
| 423 | Q | 72.3 | Confident | 63.2 | Low | 168 Ų | 168 | 90.2 Ų | 90.2 | 79% | 0.785 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.1 | -37.1 | 177.6 | -121.5 | 162.3 | 16.9 | 0 | 0 | 113 | N421 Q425 Q427 | N421-Q423 VanDerWaalsContact C-N 3.26Å; N421-Q423 PolarHBondContact O-N 3.27Å; Q423-Q425 VanDerWaalsContact C-N 3.33Å; Q423-Q427 PolarHBondContact O-N 3.09Å; Q423-Q427 VanDerWaalsContact O-N 3.1Å |
| 424 | L | 68.6 | Low | 63.5 | Low | 74 Ų | 74 | 89.5 Ų | 89.5 | 39% | 0.387 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.3 | -33.9 | 174.7 | -166.6 | 76.4 | 0 | 0 | 0 | 110.4 | F418 N421 Q427 F428 | F418-L424 HydrophobicContact CD1-CD2 3.99Å; F418-L424 HydrophobicContact CE1-CD2 3.88Å; N421-L424 HydrophobicContact CB-CB 4.16Å; N421-L424 PolarHBondContact O-N 2.99Å; N421-L424 VanDerWaalsContact O-N 3.14Å; L424-Q427 PolarHBondContact O-N 3.43Å; L424-F428 VanDerWaalsContact O-CB 3.29Å; L424-F428 WeakPolarHBondContact O-CB 3.49Å; L424-F428 PolarHBondContact O-N 3.34Å |
| 425 | Q | 65.1 | Low | 63.6 | Low | 33 Ų | 33 | 86.3 Ų | 86.3 | 15% | 0.154 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 174.8 | -162.9 | 172.5 | 20.9 | 0 | 0 | 111.5 | N421 P422 Q423 R429 | N421-Q425 PolarHBondContact O-N 2.79Å; N421-Q425 VanDerWaalsContact O-N 3.13Å; P422-Q425 WeakPolarHBondContact O-CB 3.5Å; P422-Q425 PolarHBondContact O-N 3.47Å; Q423-Q425 VanDerWaalsContact C-N 3.33Å; Q425-R429 WeakPolarHBondContact O-CB 3.4Å; Q425-R429 PolarHBondContact O-N 3.3Å |
| 426 | E | 70.8 | Confident | 64 | Low | 106 Ų | 106 | 84.5 Ų | 84.5 | 50% | 0.495 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 173.4 | -119.5 | 85.1 | -123.4 | 0 | 0 | 112.4 | P422 R429 S430 | P422-E426 PolarHBondContact O-N 3.25Å; E426-R429 PolarHBondContact O-N 2.81Å; E426-R429 IonicContact OE1-CZ 3.9Å; E426-R429 IonicContact OE1-NH2 3.12Å; E426-R429 PolarHBondContact OE1-NH2 3.32Å; E426-S430 WeakPolarHBondContact O-CB 3.4Å; E426-S430 PolarHBondContact O-N 2.8Å; E426-S430 PolarHBondContact O-OG 2.98Å |
| 427 | Q | 63.1 | Low | 64.3 | Low | 114 Ų | 114 | 85.1 Ų | 85.1 | 53% | 0.533 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 177.7 | -173.5 | -178.7 | -11 | 0 | 0 | 111.5 | Q423 L424 S430 Q431 | Q423-Q427 PolarHBondContact O-N 3.09Å; Q423-Q427 VanDerWaalsContact O-N 3.1Å; L424-Q427 PolarHBondContact O-N 3.43Å; Q427-S430 WeakPolarHBondContact CA-OG 3.44Å; Q427-S430 PolarHBondContact O-OG 3.4Å; Q427-Q431 VanDerWaalsContact O-CB 3.28Å; Q427-Q431 WeakPolarHBondContact O-CB 3.38Å; Q427-Q431 PolarHBondContact O-N 2.78Å |
| 428 | F | 61.6 | Low | 64.2 | Low | 70 Ų | 70 | 83.4 Ų | 83.4 | 31% | 0.307 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73 | -34 | 178.4 | -162.3 | -85.6 | 0 | 0 | 0 | 111.6 | M412 L424 Q431 L432 | M412-F428 HydrophobicContact CE-CD1 3.1Å; M412-F428 HydrophobicContact CE-CD2 4.08Å; M412-F428 HydrophobicContact CE-CE1 2.97Å; M412-F428 HydrophobicContact CE-CE2 3.99Å; M412-F428 HydrophobicContact CE-CG 3.67Å; M412-F428 HydrophobicContact CE-CZ 3.45Å; M412-F428 VanDerWaalsContact CE-CZ 3.45Å; M412-F428 HydrophobicContact SD-CD1 3.21Å; M412-F428 WeakPolarHBondContact SD-CD1 3.23Å; M412-F428 HydrophobicContact SD-CE1 3.51Å; M412-F428 VanDerWaalsContact SD-CE1 3.51Å; M412-F428 HydrophobicContact SD-CG 4.03Å; L424-F428 VanDerWaalsContact O-CB 3.29Å; L424-F428 WeakPolarHBondContact O-CB 3.49Å; L424-F428 PolarHBondContact O-N 3.34Å; F428-Q431 PolarHBondContact O-N 3.49Å; F428-L432 HydrophobicContact CD1-CD1 3.48Å; F428-L432 VanDerWaalsContact CD1-CD1 3.48Å; F428-L432 HydrophobicContact CD1-CG 3.63Å; F428-L432 HydrophobicContact CE1-CD1 3.59Å; F428-L432 HydrophobicContact CE1-CD2 4.1Å; F428-L432 HydrophobicContact CE1-CG 3.45Å; F428-L432 VanDerWaalsContact CE1-CG 3.45Å; F428-L432 WeakPolarHBondContact O-CA 3.35Å; F428-L432 WeakPolarHBondContact O-CB 3.48Å; F428-L432 WeakPolarHBondContact O-CG 3.27Å; F428-L432 PolarHBondContact O-N 3.17Å |
| 429 | R | 67.8 | Low | 63.8 | Low | 131 Ų | 131 | 82.6 Ų | 82.6 | 49% | 0.494 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.7 | -32.8 | 176.4 | -169.6 | 154.8 | 64.6 | 178.8 | 1.7 | 112.7 | Q425 E426 P433 | Q425-R429 WeakPolarHBondContact O-CB 3.4Å; Q425-R429 PolarHBondContact O-N 3.3Å; E426-R429 PolarHBondContact O-N 2.81Å; E426-R429 IonicContact OE1-CZ 3.9Å; E426-R429 IonicContact OE1-NH2 3.12Å; E426-R429 PolarHBondContact OE1-NH2 3.32Å; R429-P433 VanDerWaalsContact O-CD 3.26Å; R429-P433 WeakPolarHBondContact O-CD 3.37Å |
| 430 | S | 67.1 | Low | 63.9 | Low | 78 Ų | 78 | 84.6 Ų | 84.6 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -77.8 | -30.8 | 173.2 | 54 | 0 | 0 | 0 | 0 | 113.1 | E426 Q427 | E426-S430 WeakPolarHBondContact O-CB 3.4Å; E426-S430 PolarHBondContact O-N 2.8Å; E426-S430 PolarHBondContact O-OG 2.98Å; Q427-S430 WeakPolarHBondContact CA-OG 3.44Å; Q427-S430 PolarHBondContact O-OG 3.4Å |
| 431 | Q | 54.9 | Low | 63.6 | Low | 110 Ų | 110 | 85.9 Ų | 85.9 | 51% | 0.514 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -88.6 | -20.3 | 178 | -152.7 | 173.4 | 83.8 | 0 | 0 | 113.1 | Q427 F428 I434 F435 | Q427-Q431 VanDerWaalsContact O-CB 3.28Å; Q427-Q431 WeakPolarHBondContact O-CB 3.38Å; Q427-Q431 PolarHBondContact O-N 2.78Å; F428-Q431 PolarHBondContact O-N 3.49Å; Q431-I434 PolarHBondContact O-N 2.97Å; Q431-F435 WeakPolarHBondContact O-CB 3.25Å; Q431-F435 PolarHBondContact O-N 3.39Å |
| 432 | L | 64.9 | Low | 63.9 | Low | 29 Ų | 29 | 86.3 Ų | 86.3 | 15% | 0.152 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -50.7 | -50.9 | 177.3 | -116.2 | 161.2 | 0 | 0 | 0 | 113.3 | M412 F428 I434 F435 L436 | M412-L432 HydrophobicContact SD-CD1 4.27Å; F428-L432 HydrophobicContact CD1-CD1 3.48Å; F428-L432 VanDerWaalsContact CD1-CD1 3.48Å; F428-L432 HydrophobicContact CD1-CG 3.63Å; F428-L432 HydrophobicContact CE1-CD1 3.59Å; F428-L432 HydrophobicContact CE1-CD2 4.1Å; F428-L432 HydrophobicContact CE1-CG 3.45Å; F428-L432 VanDerWaalsContact CE1-CG 3.45Å; F428-L432 WeakPolarHBondContact O-CA 3.35Å; F428-L432 WeakPolarHBondContact O-CB 3.48Å; F428-L432 WeakPolarHBondContact O-CG 3.27Å; F428-L432 PolarHBondContact O-N 3.17Å; L432-I434 PolarHBondContact O-N 3.45Å; L432-F435 PolarHBondContact O-N 3.49Å; L432-L436 HydrophobicContact CD2-CD1 3.98Å; L432-L436 VanDerWaalsContact O-CB 3.26Å; L432-L436 WeakPolarHBondContact O-CB 3.24Å; L432-L436 PolarHBondContact O-N 2.79Å |
| 433 | P | 66.3 | Low | 63.7 | Low | 80 Ų | 80 | 89.6 Ų | 89.6 | 52% | 0.519 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | -179.1 | 21.3 | -30.2 | 0 | 0 | 0 | 112.6 | R429 Q437 | R429-P433 VanDerWaalsContact O-CD 3.26Å; R429-P433 WeakPolarHBondContact O-CD 3.37Å; P433-Q437 VanDerWaalsContact O-CB 3.23Å; P433-Q437 WeakPolarHBondContact O-CB 3.43Å; P433-Q437 PolarHBondContact O-N 2.81Å |
| 434 | I | 70.5 | Confident | 63.2 | Low | 113 Ų | 113 | 82.6 Ų | 82.6 | 58% | 0.579 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.6 | -41.8 | 173.5 | -82.1 | 92.8 | 0 | 0 | 0 | 111 | Q431 L432 Q438 | Q431-I434 PolarHBondContact O-N 2.97Å; L432-I434 PolarHBondContact O-N 3.45Å; I434-Q438 VanDerWaalsContact O-CB 3.26Å; I434-Q438 WeakPolarHBondContact O-CB 3.37Å; I434-Q438 PolarHBondContact O-N 3.47Å |
| 435 | F | 61.3 | Low | 62.8 | Low | 68 Ų | 68 | 81.2 Ų | 81.2 | 30% | 0.298 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.6 | -38.5 | -179.4 | -178.5 | -107.3 | 0 | 0 | 0 | 112.3 | M398 Q431 L432 Q438 M439 | M398-F435 HydrophobicContact CE-CE1 3.58Å; M398-F435 HydrophobicContact CE-CZ 3.45Å; M398-F435 VanDerWaalsContact CE-CZ 3.45Å; Q431-F435 WeakPolarHBondContact O-CB 3.25Å; Q431-F435 PolarHBondContact O-N 3.39Å; L432-F435 PolarHBondContact O-N 3.49Å; F435-Q438 PolarHBondContact O-N 3.04Å; F435-M439 HydrophobicContact CD1-CE 4.02Å; F435-M439 HydrophobicContact CE1-CE 3.53Å; F435-M439 HydrophobicContact CZ-CE 4.15Å; F435-M439 WeakPolarHBondContact O-CB 3.07Å; F435-M439 PolarHBondContact O-N 3.27Å |
| 436 | L | 63.9 | Low | 62.8 | Low | 25 Ų | 25 | 82.7 Ų | 82.7 | 13% | 0.131 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 174.9 | -136.3 | 79.6 | 0 | 0 | 0 | 110.7 | A402 L432 Q438 M439 Q440 | A402-L436 HydrophobicContact CB-CD1 4.31Å; A402-L436 HydrophobicContact CB-CG 4.18Å; L432-L436 HydrophobicContact CD2-CD1 3.98Å; L432-L436 VanDerWaalsContact O-CB 3.26Å; L432-L436 WeakPolarHBondContact O-CB 3.24Å; L432-L436 PolarHBondContact O-N 2.79Å; L436-Q438 VanDerWaalsContact C-N 3.31Å; L436-M439 PolarHBondContact O-N 2.89Å; L436-Q440 WeakPolarHBondContact O-CB 3.45Å; L436-Q440 PolarHBondContact O-N 3.06Å |
| 437 | Q | 63.8 | Low | 62.5 | Low | 115 Ų | 115 | 79.8 Ų | 79.8 | 54% | 0.537 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 175.5 | -168.5 | 71.4 | 74.9 | 0 | 0 | 111.1 | P433 N441 | P433-Q437 VanDerWaalsContact O-CB 3.23Å; P433-Q437 WeakPolarHBondContact O-CB 3.43Å; P433-Q437 PolarHBondContact O-N 2.81Å; Q437-N441 PolarHBondContact O-N 3.28Å; Q437-N441 PolarHBondContact O-ND2 3.01Å |
| 438 | Q | 56.6 | Low | 62.3 | Low | 92 Ų | 92 | 77.3 Ų | 77.3 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 174.3 | -172.1 | 155.4 | 35.1 | 0 | 0 | 111 | I434 F435 L436 Q440 N441 A444 | I434-Q438 VanDerWaalsContact O-CB 3.26Å; I434-Q438 WeakPolarHBondContact O-CB 3.37Å; I434-Q438 PolarHBondContact O-N 3.47Å; F435-Q438 PolarHBondContact O-N 3.04Å; L436-Q438 VanDerWaalsContact C-N 3.31Å; Q438-Q440 VanDerWaalsContact C-N 3.35Å; Q438-Q440 PolarHBondContact O-N 3.26Å; Q438-N441 WeakPolarHBondContact O-CB 3.35Å; Q438-N441 PolarHBondContact O-N 3.37Å; Q438-N441 VanDerWaalsContact O-N 3.07Å; Q438-A444 HydrophobicContact CG-CB 3.83Å; Q438-A444 WeakPolarHBondContact O-CB 3.31Å |
| 439 | M | 52.3 | Low | 62.6 | Low | 23 Ų | 23 | 78 Ų | 78 | 11% | 0.113 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.2 | -26.7 | 177.1 | -103 | -148.8 | -65.7 | 0 | 0 | 115.3 | M398 F435 L436 N441 | M398-M439 HydrophobicContact CE-CE 3.27Å; M398-M439 HydrophobicContact CE-CG 4.35Å; M398-M439 HydrophobicContact CE-SD 3.2Å; M398-M439 WeakPolarHBondContact CE-SD 3.48Å; M398-M439 HydrophobicContact CG-CE 3.32Å; M398-M439 HydrophobicContact CG-SD 3.32Å; M398-M439 WeakPolarHBondContact CG-SD 2.99Å; M398-M439 HydrophobicContact SD-CE 3.85Å; M398-M439 HydrophobicContact SD-SD 3.3Å; F435-M439 HydrophobicContact CD1-CE 4.02Å; F435-M439 HydrophobicContact CE1-CE 3.53Å; F435-M439 HydrophobicContact CZ-CE 4.15Å; F435-M439 WeakPolarHBondContact O-CB 3.07Å; F435-M439 PolarHBondContact O-N 3.27Å; L436-M439 PolarHBondContact O-N 2.89Å; M439-N441 PolarHBondContact O-N 3.38Å |
| 440 | Q | 63.7 | Low | 62.3 | Low | 113 Ų | 113 | 75.5 Ų | 75.5 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.3 | -20.2 | 170.2 | -105.2 | 175.1 | 37.2 | 0 | 0 | 112 | L436 Q438 P442 | L436-Q440 WeakPolarHBondContact O-CB 3.45Å; L436-Q440 PolarHBondContact O-N 3.06Å; Q438-Q440 VanDerWaalsContact C-N 3.35Å; Q438-Q440 PolarHBondContact O-N 3.26Å; Q440-P442 WeakPolarHBondContact O-CD 3.23Å |
| 441 | N | 54.6 | Low | 62.5 | Low | 83 Ų | 83 | 76.5 Ų | 76.5 | 44% | 0.444 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -77.2 | 118.7 | 175.1 | -69.8 | -27.8 | 0 | 0 | 0 | 110.2 | Q437 Q438 M439 E443 A444 L445 | Q437-N441 PolarHBondContact O-N 3.28Å; Q437-N441 PolarHBondContact O-ND2 3.01Å; Q438-N441 WeakPolarHBondContact O-CB 3.35Å; Q438-N441 PolarHBondContact O-N 3.37Å; Q438-N441 VanDerWaalsContact O-N 3.07Å; M439-N441 PolarHBondContact O-N 3.38Å; N441-E443 PolarHBondContact O-N 3.35Å; N441-A444 HydrophobicContact CB-CB 4.04Å; N441-A444 WeakPolarHBondContact O-CB 3.31Å; N441-A444 PolarHBondContact O-N 3.09Å; N441-L445 PolarHBondContact O-N 3.47Å; N441-L445 VanDerWaalsContact O-N 3.11Å |
| 442 | P | 62.8 | Low | 63.5 | Low | 104 Ų | 104 | 80.9 Ų | 80.9 | 68% | 0.675 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.7 | -29.8 | -178.1 | 25.1 | -33.8 | 0 | 0 | 0 | 112.5 | Q440 L445 S446 | Q440-P442 WeakPolarHBondContact O-CD 3.23Å; P442-L445 PolarHBondContact O-N 3.5Å; P442-S446 WeakPolarHBondContact O-CB 3.45Å; P442-S446 PolarHBondContact O-N 2.84Å |
| 443 | E | 66.3 | Low | 63.6 | Low | 153 Ų | 153 | 80.5 Ų | 80.5 | 72% | 0.715 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 170.6 | -85.1 | -92.7 | 113 | 0 | 0 | 112.3 | N441 S446 V447 | N441-E443 PolarHBondContact O-N 3.35Å; E443-S446 WeakPolarHBondContact O-CB 3.38Å; E443-S446 PolarHBondContact O-N 2.85Å; E443-V447 WeakPolarHBondContact O-CB 3.24Å; E443-V447 WeakPolarHBondContact O-CG2 3.34Å; E443-V447 PolarHBondContact O-N 2.89Å |
| 444 | A | 62.3 | Low | 63.6 | Low | 21 Ų | 21 | 81.5 Ų | 81.5 | 17% | 0.174 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -74 | -34.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q438 N441 S446 V447 M448 | Q438-A444 HydrophobicContact CG-CB 3.83Å; Q438-A444 WeakPolarHBondContact O-CB 3.31Å; N441-A444 HydrophobicContact CB-CB 4.04Å; N441-A444 WeakPolarHBondContact O-CB 3.31Å; N441-A444 PolarHBondContact O-N 3.09Å; A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 3.48Å; A444-V447 PolarHBondContact O-N 3.03Å; A444-M448 VanDerWaalsContact O-CB 3.25Å; A444-M448 WeakPolarHBondContact O-CB 3.44Å; A444-M448 PolarHBondContact O-N 3.32Å |
| 445 | L | 59.8 | Low | 63.9 | Low | 44 Ų | 44 | 83 Ų | 83 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 172.1 | -153.4 | 69.3 | 0 | 0 | 0 | 110.4 | N441 P442 M448 T449 | N441-L445 PolarHBondContact O-N 3.47Å; N441-L445 VanDerWaalsContact O-N 3.11Å; P442-L445 PolarHBondContact O-N 3.5Å; L445-M448 PolarHBondContact O-N 3.47Å; L445-T449 PolarHBondContact O-N 3.34Å; L445-T449 PolarHBondContact O-OG1 2.94Å |
| 446 | S | 64.3 | Low | 64.4 | Low | 65 Ų | 65 | 81.8 Ų | 81.8 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 173.7 | -154.5 | 0 | 0 | 0 | 0 | 112.2 | P442 E443 A444 T449 N450 | P442-S446 WeakPolarHBondContact O-CB 3.45Å; P442-S446 PolarHBondContact O-N 2.84Å; E443-S446 WeakPolarHBondContact O-CB 3.38Å; E443-S446 PolarHBondContact O-N 2.85Å; A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 3.48Å; S446-T449 WeakPolarHBondContact CA-OG1 3.39Å; S446-T449 CarbonylContact O-C 3.59Å; S446-T449 PolarHBondContact O-N 3.27Å; S446-T449 PolarHBondContact O-OG1 3.11Å; S446-N450 WeakPolarHBondContact O-CB 3.23Å; S446-N450 PolarHBondContact O-N 3.24Å |
| 447 | V | 65.8 | Low | 64.6 | Low | 44 Ų | 44 | 83.7 Ų | 83.7 | 27% | 0.267 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 173.2 | 156.9 | 0 | 0 | 0 | 0 | 112.6 | E443 A444 N450 A453 L457 | E443-V447 WeakPolarHBondContact O-CB 3.24Å; E443-V447 WeakPolarHBondContact O-CG2 3.34Å; E443-V447 PolarHBondContact O-N 2.89Å; A444-V447 PolarHBondContact O-N 3.03Å; V447-N450 PolarHBondContact O-N 2.86Å; V447-A453 HydrophobicContact CB-CB 4Å; V447-A453 HydrophobicContact CG1-CB 3.87Å; V447-A453 HydrophobicContact CG2-CB 3.9Å; V447-L457 HydrophobicContact CG1-CD1 3.42Å; V447-L457 VanDerWaalsContact CG1-CD1 3.42Å |
| 448 | M | 57.4 | Low | 64.9 | Low | 62 Ų | 62 | 84.9 Ų | 84.9 | 31% | 0.305 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -75.1 | -31.4 | 177.8 | -168.1 | 176.8 | 178.4 | 0 | 0 | 111.9 | L389 M398 A444 L445 | L389-M448 HydrophobicContact CD2-CE 3.58Å; L389-M448 HydrophobicContact CG-CE 4.31Å; M398-M448 HydrophobicContact CE-CE 4.23Å; A444-M448 VanDerWaalsContact O-CB 3.25Å; A444-M448 WeakPolarHBondContact O-CB 3.44Å; A444-M448 PolarHBondContact O-N 3.32Å; L445-M448 PolarHBondContact O-N 3.47Å |
| 449 | T | 68.4 | Low | 65.9 | Low | 86 Ų | 86 | 87.8 Ų | 87.8 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -83.4 | -12.7 | 169.7 | 46.6 | 0 | 0 | 0 | 0 | 113.9 | L445 S446 P451 | L445-T449 PolarHBondContact O-N 3.34Å; L445-T449 PolarHBondContact O-OG1 2.94Å; S446-T449 WeakPolarHBondContact CA-OG1 3.39Å; S446-T449 CarbonylContact O-C 3.59Å; S446-T449 PolarHBondContact O-N 3.27Å; S446-T449 PolarHBondContact O-OG1 3.11Å; T449-P451 WeakPolarHBondContact O-CD 3.4Å |
| 450 | N | 62.5 | Low | 67 | Low | 77 Ų | 77 | 91.4 Ų | 91.4 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | trans | -97 | 104.5 | 178.3 | -174.3 | -18.5 | 0 | 0 | 0 | 109.4 | S446 V447 R452 A453 M454 | S446-N450 WeakPolarHBondContact O-CB 3.23Å; S446-N450 PolarHBondContact O-N 3.24Å; V447-N450 PolarHBondContact O-N 2.86Å; N450-R452 PolarHBondContact O-N 2.97Å; N450-R452 VanDerWaalsContact O-N 3.14Å; N450-R452 PolarHBondContact OD1-N 2.92Å; N450-A453 HydrophobicContact CB-CB 3.83Å; N450-A453 WeakPolarHBondContact O-CA 3.37Å; N450-A453 WeakPolarHBondContact O-CB 3.17Å; N450-A453 PolarHBondContact O-N 3.05Å; N450-M454 PolarHBondContact O-N 2.72Å; N450-M454 VanDerWaalsContact O-N 3.1Å | ||
| 451 | P | 69.7 | Low | 66.7 | Low | 99 Ų | 99 | 91.8 Ų | 91.8 | 64% | 0.643 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62 | -28.7 | -171.9 | 24.4 | -34.3 | 0 | 0 | 0 | 113.3 | T449 Q455 | T449-P451 WeakPolarHBondContact O-CD 3.4Å; P451-Q455 PolarHBondContact O-N 3.1Å |
| 452 | R | 76.4 | Confident | 67.5 | Low | 202 Ų | 202 | 94.7 Ų | 94.7 | 76% | 0.762 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73.5 | -32.1 | 173.6 | -81.4 | -172 | -179.1 | -150.3 | 0.4 | 112.6 | N450 A456 | N450-R452 PolarHBondContact O-N 2.97Å; N450-R452 VanDerWaalsContact O-N 3.14Å; N450-R452 PolarHBondContact OD1-N 2.92Å; R452-A456 WeakPolarHBondContact O-CB 3.49Å; R452-A456 PolarHBondContact O-N 2.84Å |
| 453 | A | 68 | Low | 67.7 | Low | 21 Ų | 21 | 91.3 Ų | 91.3 | 17% | 0.174 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -72.7 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | V447 N450 A456 L457 | V447-A453 HydrophobicContact CB-CB 4Å; V447-A453 HydrophobicContact CG1-CB 3.87Å; V447-A453 HydrophobicContact CG2-CB 3.9Å; N450-A453 HydrophobicContact CB-CB 3.83Å; N450-A453 WeakPolarHBondContact O-CA 3.37Å; N450-A453 WeakPolarHBondContact O-CB 3.17Å; N450-A453 PolarHBondContact O-N 3.05Å; A453-A456 PolarHBondContact O-N 3Å; A453-L457 VanDerWaalsContact O-CB 3.24Å; A453-L457 WeakPolarHBondContact O-CB 3.2Å; A453-L457 PolarHBondContact O-N 3.39Å |
| 454 | M | 65 | Low | 67.7 | Low | 102 Ų | 102 | 87.6 Ų | 87.6 | 50% | 0.502 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 171.7 | -172.5 | 176.8 | 166.8 | 0 | 0 | 112.5 | N450 L457 M458 | N450-M454 PolarHBondContact O-N 2.72Å; N450-M454 VanDerWaalsContact O-N 3.1Å; M454-L457 PolarHBondContact O-N 3.42Å; M454-M458 WeakPolarHBondContact O-CB 3.38Å; M454-M458 PolarHBondContact O-N 3.25Å |
| 455 | Q | 76.7 | Confident | 67.9 | Low | 143 Ų | 143 | 92 Ų | 92 | 67% | 0.668 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 171.7 | -85 | 179.3 | -21.2 | 0 | 0 | 112.4 | P451 L457 M458 Q459 | P451-Q455 PolarHBondContact O-N 3.1Å; Q455-L457 VanDerWaalsContact C-N 3.32Å; Q455-L457 PolarHBondContact O-N 2.95Å; Q455-M458 PolarHBondContact O-N 3.43Å; Q455-Q459 PolarHBondContact O-N 2.97Å; Q455-Q459 VanDerWaalsContact O-N 3.13Å |
| 456 | A | 72.3 | Confident | 68.4 | Low | 43 Ų | 43 | 93 Ų | 93 | 36% | 0.355 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | R452 A453 Q459 I460 | R452-A456 WeakPolarHBondContact O-CB 3.49Å; R452-A456 PolarHBondContact O-N 2.84Å; A453-A456 PolarHBondContact O-N 3Å; A456-Q459 WeakPolarHBondContact O-CB 3.33Å; A456-Q459 PolarHBondContact O-N 3.41Å; A456-I460 WeakPolarHBondContact O-CB 2.96Å; A456-I460 VanDerWaalsContact O-CG1 3.28Å; A456-I460 WeakPolarHBondContact O-CG1 3.23Å; A456-I460 PolarHBondContact O-N 3.25Å |
| 457 | L | 68 | Low | 68.1 | Low | 66 Ų | 66 | 94.3 Ų | 94.3 | 35% | 0.346 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.5 | -33.4 | 179.2 | -142.4 | 152.9 | 0 | 0 | 0 | 111.7 | V447 A453 M454 Q455 Q459 I460 Q461 | V447-L457 HydrophobicContact CG1-CD1 3.42Å; V447-L457 VanDerWaalsContact CG1-CD1 3.42Å; A453-L457 VanDerWaalsContact O-CB 3.24Å; A453-L457 WeakPolarHBondContact O-CB 3.2Å; A453-L457 PolarHBondContact O-N 3.39Å; M454-L457 PolarHBondContact O-N 3.42Å; Q455-L457 VanDerWaalsContact C-N 3.32Å; Q455-L457 PolarHBondContact O-N 2.95Å; L457-Q459 VanDerWaalsContact C-N 3.3Å; L457-I460 PolarHBondContact O-N 3.02Å; L457-Q461 WeakPolarHBondContact O-CB 3.2Å; L457-Q461 PolarHBondContact O-N 3.4Å |
| 458 | M | 70.8 | Confident | 67.8 | Low | 140 Ų | 140 | 97.4 Ų | 97.4 | 69% | 0.69 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.2 | -36.3 | 170.4 | -166.2 | 169.4 | 120.5 | 0 | 0 | 111.5 | M454 Q455 Q462 | M454-M458 WeakPolarHBondContact O-CB 3.38Å; M454-M458 PolarHBondContact O-N 3.25Å; Q455-M458 PolarHBondContact O-N 3.43Å; M458-Q462 PolarHBondContact O-N 3.14Å |
| 459 | Q | 77.3 | Confident | 68.1 | Low | 152 Ų | 152 | 100 Ų | 100 | 71% | 0.71 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.3 | -37.2 | 173.8 | -139.8 | 172 | 12.3 | 0 | 0 | 112.2 | Q455 A456 L457 G463 | Q455-Q459 PolarHBondContact O-N 2.97Å; Q455-Q459 VanDerWaalsContact O-N 3.13Å; A456-Q459 WeakPolarHBondContact O-CB 3.33Å; A456-Q459 PolarHBondContact O-N 3.41Å; L457-Q459 VanDerWaalsContact C-N 3.3Å; Q459-G463 PolarHBondContact O-N 3.44Å |
| 460 | I | 74.6 | Confident | 67.3 | Low | 100 Ų | 100 | 103 Ų | 103 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.9 | -39.3 | 175.3 | -73.4 | 164.5 | 0 | 0 | 0 | 111.5 | A456 L457 Q462 G463 L464 | A456-I460 WeakPolarHBondContact O-CB 2.96Å; A456-I460 VanDerWaalsContact O-CG1 3.28Å; A456-I460 WeakPolarHBondContact O-CG1 3.23Å; A456-I460 PolarHBondContact O-N 3.25Å; L457-I460 PolarHBondContact O-N 3.02Å; I460-Q462 VanDerWaalsContact C-N 3.28Å; I460-Q462 PolarHBondContact O-N 2.76Å; I460-G463 CarbonylContact O-C 3.6Å; I460-G463 PolarHBondContact O-N 2.94Å; I460-G463 VanDerWaalsContact O-N 3.12Å; I460-L464 HydrophobicContact CG2-CD1 4.14Å; I460-L464 WeakPolarHBondContact O-CB 3.39Å; I460-L464 PolarHBondContact O-N 3.47Å |
| 461 | Q | 56.9 | Low | 66.7 | Low | 121 Ų | 121 | 101.2 Ų | 101.2 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.8 | -40 | 177.4 | -169.8 | 178.6 | 102.7 | 0 | 0 | 110.3 | L457 L464 Q465 | L457-Q461 WeakPolarHBondContact O-CB 3.2Å; L457-Q461 PolarHBondContact O-N 3.4Å; Q461-L464 PolarHBondContact O-N 3.11Å; Q461-Q465 WeakPolarHBondContact O-CB 3.26Å; Q461-Q465 PolarHBondContact O-N 3.44Å |
| 462 | Q | 72.2 | Confident | 65.8 | Low | 144 Ų | 144 | 102.1 Ų | 102.1 | 67% | 0.673 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.3 | -40.4 | 172.7 | -150.6 | 165.9 | 78.4 | 0 | 0 | 111.5 | M458 I460 Q465 T466 | M458-Q462 PolarHBondContact O-N 3.14Å; I460-Q462 VanDerWaalsContact C-N 3.28Å; I460-Q462 PolarHBondContact O-N 2.76Å; Q462-Q465 PolarHBondContact O-N 3.4Å; Q462-T466 PolarHBondContact O-N 3.45Å; Q462-T466 VanDerWaalsContact O-N 3.08Å; Q462-T466 PolarHBondContact O-OG1 3.01Å |
| 463 | G | 67.5 | Low | 65 | Low | 32 Ų | 32 | 95.3 Ų | 95.3 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.8 | -33.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q459 I460 T466 L467 | Q459-G463 PolarHBondContact O-N 3.44Å; I460-G463 CarbonylContact O-C 3.6Å; I460-G463 PolarHBondContact O-N 2.94Å; I460-G463 VanDerWaalsContact O-N 3.12Å; G463-T466 PolarHBondContact O-N 2.83Å; G463-L467 WeakPolarHBondContact O-CB 3.36Å; G463-L467 PolarHBondContact O-N 3.44Å |
| 464 | L | 67 | Low | 64.4 | Low | 76 Ų | 76 | 100 Ų | 100 | 40% | 0.398 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -77.6 | -31.4 | 175.9 | -109.6 | 162.4 | 0 | 0 | 0 | 111.8 | I460 Q461 T466 L467 Q468 M475 | I460-L464 HydrophobicContact CG2-CD1 4.14Å; I460-L464 WeakPolarHBondContact O-CB 3.39Å; I460-L464 PolarHBondContact O-N 3.47Å; Q461-L464 PolarHBondContact O-N 3.11Å; L464-T466 VanDerWaalsContact C-N 3.34Å; L464-L467 PolarHBondContact O-N 3.28Å; L464-Q468 VanDerWaalsContact O-CB 3.28Å; L464-Q468 WeakPolarHBondContact O-CB 3.32Å; L464-Q468 WeakPolarHBondContact O-CG 3.41Å; L464-Q468 PolarHBondContact O-N 3.07Å; L464-M475 HydrophobicContact CD2-CE 3.43Å; L464-M475 VanDerWaalsContact CD2-CE 3.43Å |
| 465 | Q | 65.9 | Low | 64 | Low | 112 Ų | 112 | 100.3 Ų | 100.3 | 52% | 0.523 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 169.5 | -142.5 | 100 | 62.4 | 0 | 0 | 110.3 | Q461 Q462 T469 | Q461-Q465 WeakPolarHBondContact O-CB 3.26Å; Q461-Q465 PolarHBondContact O-N 3.44Å; Q462-Q465 PolarHBondContact O-N 3.4Å; Q465-T469 WeakPolarHBondContact O-CB 3.22Å; Q465-T469 PolarHBondContact O-N 2.88Å; Q465-T469 VanDerWaalsContact O-N 3.07Å; Q465-T469 PolarHBondContact O-OG1 2.87Å |
| 466 | T | 68.9 | Low | 63.1 | Low | 67 Ų | 67 | 97.9 Ų | 97.9 | 41% | 0.411 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 173.1 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | Q462 G463 L464 T469 E470 | Q462-T466 PolarHBondContact O-N 3.45Å; Q462-T466 VanDerWaalsContact O-N 3.08Å; Q462-T466 PolarHBondContact O-OG1 3.01Å; G463-T466 PolarHBondContact O-N 2.83Å; L464-T466 VanDerWaalsContact C-N 3.34Å; T466-T469 CarbonylContact O-C 3.55Å; T466-T469 WeakPolarHBondContact O-CB 3.44Å; T466-T469 PolarHBondContact O-N 2.87Å; T466-T469 VanDerWaalsContact O-N 3.12Å; T466-E470 HydrophobicContact CG2-CG 4.38Å; T466-E470 WeakPolarHBondContact O-CB 3.12Å; T466-E470 WeakPolarHBondContact O-CG 3.37Å; T466-E470 PolarHBondContact O-N 3.39Å |
| 467 | L | 59.5 | Low | 62.2 | Low | 91 Ų | 91 | 100.8 Ų | 100.8 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.8 | -33.9 | 176.5 | -108.6 | 97.5 | 0 | 0 | 0 | 113.9 | G463 L464 T469 E470 A471 | G463-L467 WeakPolarHBondContact O-CB 3.36Å; G463-L467 PolarHBondContact O-N 3.44Å; L464-L467 PolarHBondContact O-N 3.28Å; L467-T469 PolarHBondContact O-N 3.47Å; L467-E470 PolarHBondContact O-N 2.77Å; L467-A471 CarbonylContact O-C 3.36Å; L467-A471 WeakPolarHBondContact O-CA 3.26Å; L467-A471 PolarHBondContact O-N 3.32Å |
| 468 | Q | 58.7 | Low | 61.7 | Low | 109 Ų | 109 | 105.2 Ų | 105.2 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.2 | -30 | 171.7 | -86.9 | -175.8 | -14.7 | 0 | 0 | 111.6 | L464 | L464-Q468 VanDerWaalsContact O-CB 3.28Å; L464-Q468 WeakPolarHBondContact O-CB 3.32Å; L464-Q468 WeakPolarHBondContact O-CG 3.41Å; L464-Q468 PolarHBondContact O-N 3.07Å |
| 469 | T | 63 | Low | 60.9 | Low | 116 Ų | 116 | 107.1 Ų | 107.1 | 71% | 0.712 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -81.4 | -33.4 | 177.1 | -49.7 | 0 | 0 | 0 | 0 | 111.6 | Q465 T466 L467 | Q465-T469 WeakPolarHBondContact O-CB 3.22Å; Q465-T469 PolarHBondContact O-N 2.88Å; Q465-T469 VanDerWaalsContact O-N 3.07Å; Q465-T469 PolarHBondContact O-OG1 2.87Å; T466-T469 CarbonylContact O-C 3.55Å; T466-T469 WeakPolarHBondContact O-CB 3.44Å; T466-T469 PolarHBondContact O-N 2.87Å; T466-T469 VanDerWaalsContact O-N 3.12Å; L467-T469 PolarHBondContact O-N 3.47Å |
| 470 | E | 52.5 | Low | 59.5 | Low | 151 Ų | 151 | 105.6 Ų | 105.6 | 71% | 0.706 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -96.2 | -29.2 | -176 | -72.2 | -175.4 | 159.5 | 0 | 0 | 114.8 | T466 L467 | T466-E470 HydrophobicContact CG2-CG 4.38Å; T466-E470 WeakPolarHBondContact O-CB 3.12Å; T466-E470 WeakPolarHBondContact O-CG 3.37Å; T466-E470 PolarHBondContact O-N 3.39Å; L467-E470 PolarHBondContact O-N 2.77Å |
| 471 | A | 49.4 | Very low | 57.9 | Low | 39 Ų | 39 | 103.9 Ų | 103.9 | 32% | 0.322 | 60% | 0.6 | S | S | . | * | trans | -149.1 | 73.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L467 G473 L474 | L467-A471 CarbonylContact O-C 3.36Å; L467-A471 WeakPolarHBondContact O-CA 3.26Å; L467-A471 PolarHBondContact O-N 3.32Å; A471-G473 PolarHBondContact O-N 3.02Å; A471-L474 HydrophobicContact CB-CD1 4.28Å | ||
| 472 | P | 51.6 | Low | 56.9 | Low | 117 Ų | 117 | 101.5 Ų | 101.5 | 76% | 0.76 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 5.7 | -176.7 | 25.5 | -34.1 | 0 | 0 | 0 | 116.2 | ||
| 473 | G | 58.4 | Low | 55.3 | Low | 59 Ų | 59 | 102.8 Ų | 102.8 | 61% | 0.608 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -6.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117 | A471 P476 | A471-G473 PolarHBondContact O-N 3.02Å; G473-P476 WeakPolarHBondContact O-CD 3.21Å |
| 474 | L | 56.3 | Low | 53.9 | Low | 119 Ų | 119 | 107.3 Ų | 107.3 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -97.1 | -12.8 | -166.6 | -62.4 | 176.8 | 0 | 0 | 0 | 115.2 | A471 P476 | A471-L474 HydrophobicContact CB-CD1 4.28Å; L474-P476 VanDerWaalsContact C-CD 3.44Å |
| 475 | M | 56.8 | Low | 52.3 | Low | 109 Ų | 109 | 106.9 Ų | 106.9 | 54% | 0.537 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -70.4 | -27.1 | -179.7 | -88.4 | -138.9 | -169.5 | 0 | 0 | 117.1 | L464 S477 | L464-M475 HydrophobicContact CD2-CE 3.43Å; L464-M475 VanDerWaalsContact CD2-CE 3.43Å; M475-S477 VanDerWaalsContact C-N 3.25Å; M475-S477 PolarHBondContact O-N 3.3Å |
| 476 | P | 57.2 | Low | 50.8 | Low | 92 Ų | 92 | 108.4 Ų | 108.4 | 60% | 0.597 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.9 | -22 | -178.7 | -15.5 | 29.1 | 0 | 0 | 0 | 113.6 | G473 L474 T480 | G473-P476 WeakPolarHBondContact O-CD 3.21Å; L474-P476 VanDerWaalsContact C-CD 3.44Å; P476-T480 PolarHBondContact O-OG1 2.83Å; P476-T480 VanDerWaalsContact O-OG1 3.14Å |
| 477 | S | 54.2 | Low | 49.5 | Very low | 104 Ų | 104 | 110.8 Ų | 110.8 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -84.6 | -26.7 | -171.1 | -161.7 | 0 | 0 | 0 | 0 | 113.4 | M475 | M475-S477 VanDerWaalsContact C-N 3.25Å; M475-S477 PolarHBondContact O-N 3.3Å |
| 478 | L | 56.6 | Low | 48 | Very low | 159 Ų | 159 | 113 Ų | 113 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -97.2 | -21.9 | -172.5 | -162 | 62.4 | 0 | 0 | 0 | 114.3 | ||
| 479 | M | 54.1 | Low | 46.6 | Very low | 180 Ų | 180 | 111.7 Ų | 111.7 | 89% | 0.887 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -92.2 | -10.4 | 177.6 | -87.7 | -93.1 | -131 | 0 | 0 | 114 | ||
| 480 | T | 49.3 | Very low | 45.1 | Very low | 121 Ų | 121 | 109.9 Ų | 109.9 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -99.7 | 1.4 | 177.3 | -47.7 | 0 | 0 | 0 | 0 | 112.5 | P476 G482 | P476-T480 PolarHBondContact O-OG1 2.83Å; P476-T480 VanDerWaalsContact O-OG1 3.14Å; T480-G482 PolarHBondContact O-N 2.8Å; T480-G482 VanDerWaalsContact O-N 3.09Å |
| 481 | G | 40.2 | Very low | 43.9 | Very low | 64 Ų | 64 | 107.7 Ų | 107.7 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | trans | -86.2 | 66.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 482 | G | 35.7 | Very low | 43.2 | Very low | 71 Ų | 71 | 112.4 Ų | 112.4 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 128.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T480 | T480-G482 PolarHBondContact O-N 2.8Å; T480-G482 VanDerWaalsContact O-N 3.09Å |
| 483 | I | 38.4 | Very low | 43.1 | Very low | 171 Ų | 171 | 112.3 Ų | 112.3 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 141.5 | 176.6 | 23.2 | 170.1 | 0 | 0 | 0 | 112 | ||
| 484 | P | 37.4 | Very low | 41.7 | Very low | 126 Ų | 126 | 113.7 Ų | 113.7 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 145.4 | -169.1 | 35.5 | -33.2 | 0 | 0 | 0 | 113.3 | ||
| 485 | G | 33.9 | Very low | 40.3 | Very low | 68 Ų | 68 | 117 Ų | 117 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 158.8 | 85.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 486 | V | 33.9 | Very low | 39.4 | Very low | 144 Ų | 144 | 118.9 Ų | 118.9 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | 173 | 128.7 | 118 | -80.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 487 | P | 42.3 | Very low | 38.5 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -85.9 | 157.1 | 172.8 | 35 | -29.6 | 0 | 0 | 0 | 109.8 | ||||
| 488 | T | 28.5 | Very low | 37.2 | Very low | 137 Ų | 137 | 119 Ų | 119 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | 177.8 | 118.4 | 82.5 | -41.9 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 489 | G | 29.8 | Very low | 35.9 | Very low | 83 Ų | 83 | 116.9 Ų | 116.9 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | 93.6 | 130.8 | 96.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 490 | G | 30.8 | Very low | 34.7 | Very low | 77 Ų | 77 | 113.8 Ų | 113.8 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | cis | 175.9 | -173.1 | 2.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 491 | A | 27.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 113.8 Ų | 113.8 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | 96.9 | 128.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 492 | V | 33.7 | Very low | 33.5 | Very low | 137 Ų | 137 | 116 Ų | 116 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -121.6 | -169.6 | -164.8 | -71.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 493 | P | 50.1 | Low | 33.2 | Very low | 116 Ų | 116 | 118 Ų | 118 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | -134 | -164.6 | -29.5 | 22.8 | 2.6 | 0 | 0 | 0 | 112.7 | ||||
| 494 | A | 29.2 | Very low | 32.9 | Very low | 88 Ų | 88 | 114.8 Ų | 114.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 98.3 | 143.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 495 | E | 27.6 | Very low | 32.6 | Very low | 189 Ų | 189 | 113.5 Ų | 113.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | cis | -176.4 | 140.3 | -12.2 | -171.5 | 167.4 | 122.6 | 0 | 0 | 103.4 | ||||
| 496 | N | 36.1 | Very low | 32.8 | Very low | 148 Ų | 148 | 116.4 Ų | 116.4 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -94 | 148 | -179.7 | -144.2 | 18 | 0 | 0 | 0 | 108.8 | ||||
| 497 | P | 38.7 | Very low | 33.4 | Very low | 118 Ų | 118 | 115.6 Ų | 115.6 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | -154.7 | 149.9 | 99.3 | 35 | -14.7 | 0 | 0 | 0 | 117.9 | |||||
| 498 | A | 28 | Very low | 33.8 | Very low | 80 Ų | 80 | 115.1 Ų | 115.1 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | trans | 62.2 | 135.2 | 135.4 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 499 | S | 27.7 | Very low | 35 | Very low | 115 Ų | 115 | 112.5 Ų | 112.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 94.4 | 119.6 | 145.6 | -10.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 500 | S | 30.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 115.5 Ų | 115.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -56.1 | 167.4 | 164.1 | -18.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 501 | P | 36.3 | Very low | 37.3 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -144.9 | 170.3 | 36.2 | 37.5 | -15 | 0 | 0 | 0 | 118.4 | ||||
| 502 | S | 26.4 | Very low | 38.7 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 61 | 117.2 | 152.9 | -81.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 503 | S | 30.7 | Very low | 40 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 62.5 | 107.9 | 134.9 | 59.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 504 | A | 31.4 | Very low | 40.7 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | 153.6 | 103.7 | 114.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 505 | A | 30.4 | Very low | 42.1 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -166.4 | 99.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 506 | T | 39.6 | Very low | 43.6 | Very low | 128 Ų | 128 | 121.7 Ų | 121.7 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -81 | 124.1 | 179.6 | -52.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 507 | N | 46.1 | Very low | 44.7 | Very low | 128 Ų | 128 | 121 Ų | 121 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | trans | -77.5 | 136.1 | 172.1 | -86.1 | -29.1 | 0 | 0 | 0 | 111.1 | A509 | N507-A509 PolarHBondContact O-N 3.28Š| ||
| 508 | P | 49.8 | Very low | 45.9 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -6.2 | -176.1 | 27.1 | -33.9 | 0 | 0 | 0 | 115.1 | Q510 | P508-Q510 VanDerWaalsContact C-N 3.32Å; P508-Q510 PolarHBondContact O-N 3.22Å |
| 509 | A | 54.2 | Low | 47.2 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -73.7 | -20.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N507 | N507-A509 PolarHBondContact O-N 3.28Å |
| 510 | Q | 52.7 | Low | 48.5 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -85.1 | -21.7 | -177.3 | -163.9 | 170.5 | -27.5 | 0 | 0 | 113 | P508 M514 | P508-Q510 VanDerWaalsContact C-N 3.32Å; P508-Q510 PolarHBondContact O-N 3.22Å; Q510-M514 PolarHBondContact O-N 3.4Å |
| 511 | Q | 55.6 | Low | 49.7 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -73.8 | -28.7 | 176 | -99.1 | 174.6 | 3 | 0 | 0 | 113 | M514 Q515 | Q511-M514 PolarHBondContact O-N 3.48Å; Q511-Q515 PolarHBondContact O-N 2.75Å; Q511-Q515 VanDerWaalsContact O-N 3.12Å |
| 512 | Q | 58.6 | Low | 50.4 | Low | 157 Ų | 157 | 126 Ų | 126 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -76.4 | -30.4 | -179.6 | -157 | 139.5 | -14.4 | 0 | 0 | 112.5 | Q516 | Q512-Q516 PolarHBondContact O-N 2.73Å |
| 513 | L | 60.8 | Low | 51.3 | Low | 122 Ų | 122 | 124.1 Ų | 124.1 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -70.4 | -37 | 171.1 | -164.3 | 87.2 | 0 | 0 | 0 | 111.7 | Q516 M517 | L513-Q516 PolarHBondContact O-N 2.96Å; L513-M517 PolarHBondContact O-N 3.48Å; L513-M517 VanDerWaalsContact O-N 3.12Å |
| 514 | M | 63.8 | Low | 52.2 | Low | 144 Ų | 144 | 121.7 Ų | 121.7 | 71% | 0.709 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -68.3 | -34.3 | 178.2 | -158.7 | 96.3 | 157.2 | 0 | 0 | 112.1 | Q510 Q511 L518 | Q510-M514 PolarHBondContact O-N 3.4Å; Q511-M514 PolarHBondContact O-N 3.48Å; M514-L518 PolarHBondContact O-N 2.84Å |
| 515 | Q | 59.5 | Low | 52.5 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -74.7 | -34.2 | 176.5 | -148.1 | 104.4 | 91.3 | 0 | 0 | 112.3 | Q511 L518 Q519 | Q511-Q515 PolarHBondContact O-N 2.75Å; Q511-Q515 VanDerWaalsContact O-N 3.12Å; Q515-L518 PolarHBondContact O-N 3.32Å; Q515-Q519 PolarHBondContact O-N 3.17Å |
| 516 | Q | 59.2 | Low | 52.8 | Low | 139 Ų | 139 | 118.7 Ų | 118.7 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -67.5 | -34.9 | 174.3 | -169.3 | 104.4 | 66.5 | 0 | 0 | 111.9 | Q512 L513 M520 | Q512-Q516 PolarHBondContact O-N 2.73Å; L513-Q516 PolarHBondContact O-N 2.96Å; Q516-M520 PolarHBondContact O-N 3.23Å |
| 517 | M | 59 | Low | 52.8 | Low | 134 Ų | 134 | 118 Ų | 118 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -72.5 | -35.1 | 177.9 | -165.4 | 175.4 | -74.5 | 0 | 0 | 112.5 | L513 M520 F521 | L513-M517 PolarHBondContact O-N 3.48Å; L513-M517 VanDerWaalsContact O-N 3.12Å; M517-M520 PolarHBondContact O-N 3.13Å; M517-F521 PolarHBondContact O-N 3.2Å; M517-F521 VanDerWaalsContact O-N 3.12Å |
| 518 | L | 62.7 | Low | 52.8 | Low | 110 Ų | 110 | 116.3 Ų | 116.3 | 58% | 0.576 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -72 | -31.7 | 175.9 | -168.9 | 60.7 | 0 | 0 | 0 | 112.5 | M514 Q515 F521 A522 | M514-L518 PolarHBondContact O-N 2.84Å; Q515-L518 PolarHBondContact O-N 3.32Å; L518-F521 PolarHBondContact O-N 3.33Å; L518-A522 VanDerWaalsContact O-CB 3.23Å; L518-A522 WeakPolarHBondContact O-CB 3.29Å; L518-A522 PolarHBondContact O-N 2.87Å |
| 519 | Q | 57 | Low | 52 | Low | 147 Ų | 147 | 114.3 Ų | 114.3 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72.4 | -28.6 | 175.3 | -152.6 | 83.7 | 48.4 | 0 | 0 | 112.5 | Q515 G523 | Q515-Q519 PolarHBondContact O-N 3.17Å; Q519-G523 PolarHBondContact O-N 2.91Å |
| 520 | M | 54.5 | Low | 51.1 | Low | 149 Ų | 149 | 114.2 Ų | 114.2 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -80.7 | -27.7 | 175.5 | -161.3 | 178.7 | -66.4 | 0 | 0 | 112.6 | Q516 M517 | Q516-M520 PolarHBondContact O-N 3.23Å; M517-M520 PolarHBondContact O-N 3.13Å |
| 521 | F | 55 | Low | 50 | Low | 165 Ų | 165 | 114.9 Ų | 114.9 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -84 | -33.4 | 175.3 | -166.6 | -105.7 | 0 | 0 | 0 | 113.1 | M517 L518 G525 | M517-F521 PolarHBondContact O-N 3.2Å; M517-F521 VanDerWaalsContact O-N 3.12Å; L518-F521 PolarHBondContact O-N 3.33Å; F521-G525 PolarHBondContact O-N 3.01Å |
| 522 | A | 52.3 | Low | 48.9 | Very low | 80 Ų | 80 | 110 Ų | 110 | 66% | 0.661 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -81.5 | -13.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L518 | L518-A522 VanDerWaalsContact O-CB 3.23Å; L518-A522 WeakPolarHBondContact O-CB 3.29Å; L518-A522 PolarHBondContact O-N 2.87Å |
| 523 | G | 44.7 | Very low | 48.1 | Very low | 72 Ų | 72 | 107.7 Ų | 107.7 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -95.6 | -6.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q519 | Q519-G523 PolarHBondContact O-N 2.91Š|
| 524 | G | 49.3 | Very low | 47 | Very low | 62 Ų | 62 | 106.6 Ų | 106.6 | 64% | 0.639 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -121.8 | 10.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G526 | G524-G526 PolarHBondContact O-N 3.33Š|
| 525 | G | 37.9 | Very low | 46.2 | Very low | 73 Ų | 73 | 105.2 Ų | 105.2 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | -82.5 | 72.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F521 | F521-G525 PolarHBondContact O-N 3.01Š| ||
| 526 | G | 36.6 | Very low | 45.8 | Very low | 68 Ų | 68 | 102.6 Ų | 102.6 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -129.9 | 75.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G524 | G524-G526 PolarHBondContact O-N 3.33Š|
| 527 | S | 39.2 | Very low | 45.8 | Very low | 112 Ų | 112 | 98 Ų | 98 | 78% | 0.783 | 67% | 0.67 | S | S | * | * | trans | 71.6 | 90.2 | 160.1 | -174.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 528 | G | 47.3 | Very low | 46 | Very low | 93 Ų | 93 | 96.4 Ų | 96.4 | 96% | 0.959 | 66% | 0.661 | S | S | * | * | trans | -83.7 | 112.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 529 | G | 33.2 | Very low | 46.3 | Very low | 64 Ų | 64 | 94.7 Ų | 94.7 | 66% | 0.66 | 66% | 0.655 | S | S | * | * | trans | -166.2 | 113.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 530 | G | 35 | Very low | 47.1 | Very low | 79 Ų | 79 | 91.6 Ų | 91.6 | 81% | 0.814 | 64% | 0.637 | S | S | * | * | trans | -67.7 | 146.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 531 | N | 29.7 | Very low | 48.1 | Very low | 161 Ų | 161 | 85.8 Ų | 85.8 | 86% | 0.861 | 61% | 0.607 | S | S | * | * | trans | -168.9 | 163.9 | 144.2 | -139.7 | -66.4 | 0 | 0 | 0 | 108.7 | ||||
| 532 | G | 32.3 | Very low | 49.4 | Very low | 43 Ų | 43 | 82.8 Ų | 82.8 | 44% | 0.443 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -53.8 | 159.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | S534 | G532-S534 PolarHBondContact O-N 3.34Å; G532-S534 PolarHBondContact O-OG 2.82Å; G532-S534 VanDerWaalsContact O-OG 3.05Å |
| 533 | T | 40.7 | Very low | 50.9 | Low | 109 Ų | 109 | 84 Ų | 84 | 67% | 0.669 | 60% | 0.595 | S | S | * | * | trans | 32 | 82.3 | 147.3 | -19.2 | 0 | 0 | 0 | 0 | 114.1 | R540 | T533-R540 VanDerWaalsContact CG2-NH1 3.29Å; T533-R540 PolarHBondContact O-NH1 3.25Å; T533-R540 PolarHBondContact O-NH2 2.83Å | ||
| 534 | S | 38.8 | Very low | 52.7 | Low | 99 Ų | 99 | 82.9 Ų | 82.9 | 69% | 0.692 | 57% | 0.57 | S | S | * | * | trans | -135.1 | 49.9 | 166.5 | 7.6 | 0 | 0 | 0 | 0 | 112.6 | G532 T536 R540 | G532-S534 PolarHBondContact O-N 3.34Å; G532-S534 PolarHBondContact O-OG 2.82Å; G532-S534 VanDerWaalsContact O-OG 3.05Å; S534-T536 PolarHBondContact O-N 3.49Å; S534-R540 VanDerWaalsContact CA-NH2 3.34Å | ||
| 535 | Q | 45.4 | Very low | 54.2 | Low | 115 Ų | 115 | 80.1 Ų | 80.1 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -43.1 | 129 | 139.6 | -82.5 | -179.9 | -58.8 | 0 | 0 | 106.8 | R540 | Q535-R540 HydrophobicContact CB-CB 4.38Å; Q535-R540 HydrophobicContact CB-CG 3.71Å; Q535-R540 HydrophobicContact CG-CG 4.41Å; Q535-R540 PolarHBondContact O-NE 3.02Å; Q535-R540 VanDerWaalsContact O-NE 3.16Å; Q535-R540 PolarHBondContact O-NH2 3.35Å |
| 536 | T | 51.1 | Low | 56.4 | Low | 80 Ų | 80 | 81.8 Ų | 81.8 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | trans | -43.8 | 130.1 | 170.6 | 41.9 | 0 | 0 | 0 | 0 | 107.1 | S534 E538 V539 R540 | S534-T536 PolarHBondContact O-N 3.49Å; T536-E538 PolarHBondContact O-N 3.42Å; T536-V539 PolarHBondContact O-N 2.97Å; T536-V539 WeakPolarHBondContact OG1-CG2 3.44Å; T536-R540 PolarHBondContact O-N 2.63Å; T536-R540 VanDerWaalsContact O-N 3.09Å | ||
| 537 | P | 59.1 | Low | 58.5 | Low | 44 Ų | 44 | 83.1 Ų | 83.1 | 29% | 0.286 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.7 | -25 | -173.1 | 22.5 | -33 | 0 | 0 | 0 | 111.5 | R540 F541 L560 I564 | P537-R540 PolarHBondContact O-N 3.48Å; P537-F541 HydrophobicContact CB-CD2 4.21Å; P537-F541 HydrophobicContact CB-CE2 4.24Å; P537-F541 WeakPolarHBondContact O-CB 3Å; P537-F541 WeakPolarHBondContact O-CD2 3.41Å; P537-F541 PolarHBondContact O-N 3.31Å; P537-L560 VanDerWaalsContact C-CD1 3.43Å; P537-L560 HydrophobicContact CB-CD1 3.95Å; P537-L560 HydrophobicContact CG-CD1 4.36Å; P537-I564 HydrophobicContact CB-CD1 3.54Å; P537-I564 HydrophobicContact CB-CG1 3.54Å; P537-I564 HydrophobicContact CG-CD1 3.65Å; P537-I564 HydrophobicContact CG-CG1 4.23Å |
| 538 | E | 64.3 | Low | 60.5 | Low | 100 Ų | 100 | 77.8 Ų | 77.8 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 170.1 | -83.2 | 167.7 | 99.7 | 0 | 0 | 114.3 | T536 Q542 L545 L560 | T536-E538 PolarHBondContact O-N 3.42Å; E538-Q542 WeakPolarHBondContact O-CA 3.34Å; E538-Q542 PolarHBondContact O-N 2.81Å; E538-L545 HydrophobicContact CG-CD1 4.38Å; E538-L560 HydrophobicContact CB-CD1 4.34Å; E538-L560 HydrophobicContact CG-CD1 3.72Å; E538-L560 HydrophobicContact CG-CD2 3.51Å; E538-L560 HydrophobicContact CG-CG 4.18Å |
| 539 | V | 69.4 | Low | 62.2 | Low | 73 Ų | 73 | 75.7 Ų | 75.7 | 44% | 0.442 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -77.2 | -31.5 | 179 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | T536 | T536-V539 PolarHBondContact O-N 2.97Å; T536-V539 WeakPolarHBondContact OG1-CG2 3.44Å |
| 540 | R | 72.5 | Confident | 64.5 | Low | 83 Ų | 83 | 76.7 Ų | 76.7 | 31% | 0.313 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | 174.7 | -109.9 | -176.7 | -65.3 | -179.7 | 2.7 | 113.1 | T533 S534 Q535 T536 P537 | T533-R540 VanDerWaalsContact CG2-NH1 3.29Å; T533-R540 PolarHBondContact O-NH1 3.25Å; T533-R540 PolarHBondContact O-NH2 2.83Å; S534-R540 VanDerWaalsContact CA-NH2 3.34Å; Q535-R540 HydrophobicContact CB-CB 4.38Å; Q535-R540 HydrophobicContact CB-CG 3.71Å; Q535-R540 HydrophobicContact CG-CG 4.41Å; Q535-R540 PolarHBondContact O-NE 3.02Å; Q535-R540 VanDerWaalsContact O-NE 3.16Å; Q535-R540 PolarHBondContact O-NH2 3.35Å; T536-R540 PolarHBondContact O-N 2.63Å; T536-R540 VanDerWaalsContact O-N 3.09Å; P537-R540 PolarHBondContact O-N 3.48Å |
| 541 | F | 77.3 | Confident | 66.7 | Low | 27 Ų | 27 | 77.4 Ų | 77.4 | 12% | 0.118 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 20.7 | -175.6 | -54.5 | -55.8 | 0 | 0 | 0 | 112.9 | P537 T543 Q544 L545 L560 L563 I564 | P537-F541 HydrophobicContact CB-CD2 4.21Å; P537-F541 HydrophobicContact CB-CE2 4.24Å; P537-F541 WeakPolarHBondContact O-CB 3Å; P537-F541 WeakPolarHBondContact O-CD2 3.41Å; P537-F541 PolarHBondContact O-N 3.31Å; F541-T543 VanDerWaalsContact C-N 3.33Å; F541-T543 PolarHBondContact O-N 2.85Å; F541-Q544 VanDerWaalsContact C-OE1 3.3Å; F541-Q544 HydrophobicContact CB-CB 4.4Å; F541-Q544 CarbonylContact O-C 3.59Å; F541-Q544 PolarHBondContact O-N 3.37Å; F541-Q544 VanDerWaalsContact O-N 3.16Å; F541-Q544 PolarHBondContact O-OE1 2.85Å; F541-L545 WeakPolarHBondContact O-CB 3.42Å; F541-L545 VanDerWaalsContact O-CG 3.27Å; F541-L545 WeakPolarHBondContact O-CG 3.09Å; F541-L545 PolarHBondContact O-N 3.09Å; F541-L560 HydrophobicContact CD2-CD1 4.48Å; F541-L563 HydrophobicContact CB-CB 4.25Å; F541-L563 HydrophobicContact CB-CD1 4.06Å; F541-L563 HydrophobicContact CD2-CB 4.11Å; F541-L563 HydrophobicContact CG-CB 4.08Å; F541-I564 HydrophobicContact CD2-CG1 4.3Å; F541-I564 HydrophobicContact CE2-CG1 3.98Å |
| 542 | Q | 81.6 | Confident | 69 | Low | 102 Ų | 102 | 72.1 Ų | 72.1 | 48% | 0.477 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.3 | -45.5 | -175.6 | -164.8 | 92 | 79.7 | 0 | 0 | 111.8 | E538 L545 D546 | E538-Q542 WeakPolarHBondContact O-CA 3.34Å; E538-Q542 PolarHBondContact O-N 2.81Å; Q542-L545 PolarHBondContact O-N 3.46Å; Q542-D546 PolarHBondContact O-N 3.35Å |
| 543 | T | 83.8 | Confident | 71.2 | Confident | 106 Ų | 106 | 72 Ų | 72 | 65% | 0.65 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 178.7 | -44.7 | 0 | 0 | 0 | 0 | 111.4 | F541 D546 Q547 | F541-T543 VanDerWaalsContact C-N 3.33Å; F541-T543 PolarHBondContact O-N 2.85Å; T543-D546 PolarHBondContact O-N 3.49Å; T543-Q547 WeakPolarHBondContact O-CB 3.33Å; T543-Q547 PolarHBondContact O-N 3.07Å |
| 544 | Q | 82.2 | Confident | 73.1 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -71.8 | -35.1 | 178.6 | -64.2 | 77.5 | 7.1 | 0 | 0 | 111.9 | F541 Q547 L548 L563 I570 | F541-Q544 VanDerWaalsContact C-OE1 3.3Å; F541-Q544 HydrophobicContact CB-CB 4.4Å; F541-Q544 CarbonylContact O-C 3.59Å; F541-Q544 PolarHBondContact O-N 3.37Å; F541-Q544 VanDerWaalsContact O-N 3.16Å; F541-Q544 PolarHBondContact O-OE1 2.85Å; Q544-Q547 PolarHBondContact O-N 3.49Å; Q544-L548 WeakPolarHBondContact O-CB 3.49Å; Q544-L548 WeakPolarHBondContact O-CG 3.2Å; Q544-L548 PolarHBondContact O-N 3.01Å; Q544-L563 HydrophobicContact CB-CD1 3.76Å; Q544-L563 HydrophobicContact CB-CD2 3.54Å; Q544-L563 HydrophobicContact CB-CG 4.31Å; Q544-L563 HydrophobicContact CG-CD2 4.03Å; Q544-I570 HydrophobicContact CB-CD1 4.28Å; Q544-I570 HydrophobicContact CB-CG1 3.81Å; Q544-I570 HydrophobicContact CG-CD1 3.77Å; Q544-I570 HydrophobicContact CG-CG1 3.6Å |
| 545 | L | 81.2 | Confident | 75.2 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 173.5 | -77.5 | 172.2 | 0 | 0 | 0 | 111.4 | E538 F541 Q542 Q547 L548 N549 N559 L560 L563 | E538-L545 HydrophobicContact CG-CD1 4.38Å; F541-L545 WeakPolarHBondContact O-CB 3.42Å; F541-L545 VanDerWaalsContact O-CG 3.27Å; F541-L545 WeakPolarHBondContact O-CG 3.09Å; F541-L545 PolarHBondContact O-N 3.09Å; Q542-L545 PolarHBondContact O-N 3.46Å; L545-Q547 VanDerWaalsContact C-N 3.32Å; L545-L548 PolarHBondContact O-N 3.42Å; L545-N549 VanDerWaalsContact O-CB 3.23Å; L545-N549 WeakPolarHBondContact O-CB 3.4Å; L545-N549 PolarHBondContact O-N 3.17Å; L545-N559 HydrophobicContact CD2-CB 3.54Å; L545-L560 HydrophobicContact CD1-CD1 4.17Å; L545-L560 HydrophobicContact CD2-CB 4.15Å; L545-L563 HydrophobicContact CD2-CD1 3.86Å; L545-L563 HydrophobicContact CG-CD1 3.96Å |
| 546 | D | 84.4 | Confident | 76.9 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 176.1 | -163.4 | -105.1 | 0 | 0 | 0 | 111.1 | Q542 T543 N549 A550 | Q542-D546 PolarHBondContact O-N 3.35Å; T543-D546 PolarHBondContact O-N 3.49Å; D546-N549 PolarHBondContact O-N 3.09Å; D546-A550 WeakPolarHBondContact O-CB 3.35Å; D546-A550 PolarHBondContact O-N 2.84Å |
| 547 | Q | 80.3 | Confident | 78.4 | Confident | 95 Ų | 95 | 78.3 Ų | 78.3 | 44% | 0.444 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 175.6 | -166.9 | 167.4 | 21.4 | 0 | 0 | 113 | T543 Q544 L545 N549 A550 M551 | T543-Q547 WeakPolarHBondContact O-CB 3.33Å; T543-Q547 PolarHBondContact O-N 3.07Å; Q544-Q547 PolarHBondContact O-N 3.49Å; L545-Q547 VanDerWaalsContact C-N 3.32Å; Q547-N549 VanDerWaalsContact C-N 3.32Å; Q547-N549 PolarHBondContact O-N 3.04Å; Q547-A550 PolarHBondContact O-N 3.42Å; Q547-M551 HydrophobicContact CG-CE 4.23Å; Q547-M551 WeakPolarHBondContact O-CG 3.32Å; Q547-M551 PolarHBondContact O-N 3.1Å |
| 548 | L | 81.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 173.4 | -77.8 | 169.5 | 0 | 0 | 0 | 111.7 | Q544 L545 M551 G552 F553 N559 L563 I570 I574 L577 | Q544-L548 WeakPolarHBondContact O-CB 3.49Å; Q544-L548 WeakPolarHBondContact O-CG 3.2Å; Q544-L548 PolarHBondContact O-N 3.01Å; L545-L548 PolarHBondContact O-N 3.42Å; L548-M551 HydrophobicContact CD2-CE 3.92Å; L548-M551 HydrophobicContact CG-CE 4.44Å; L548-M551 CarbonylContact O-C 3.58Å; L548-M551 PolarHBondContact O-N 2.94Å; L548-G552 PolarHBondContact O-N 3.14Å; L548-F553 HydrophobicContact CB-CB 4.36Å; L548-F553 HydrophobicContact CD2-CD2 4.1Å; L548-F553 WeakPolarHBondContact O-CB 3.25Å; L548-F553 PolarHBondContact O-N 3.03Å; L548-N559 HydrophobicContact CB-CB 4.48Å; L548-N559 HydrophobicContact CD1-CB 3.79Å; L548-L563 HydrophobicContact CD1-CD1 3.46Å; L548-L563 VanDerWaalsContact CD1-CD1 3.46Å; L548-L563 HydrophobicContact CD1-CD2 4.43Å; L548-L563 HydrophobicContact CD1-CG 3.87Å; L548-I570 HydrophobicContact CD2-CG2 4.32Å; L548-I570 HydrophobicContact CG-CG2 4.49Å; L548-I574 HydrophobicContact CD2-CD1 4.31Å; L548-I574 HydrophobicContact CD2-CG1 3.5Å; L548-I574 VanDerWaalsContact CD2-CG1 3.5Å; L548-L577 HydrophobicContact CD1-CD1 4.13Å; L548-L577 HydrophobicContact CD2-CD1 4Å |
| 549 | N | 83.6 | Confident | 80.4 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 176.4 | -158.4 | 13.7 | 0 | 0 | 0 | 111.5 | L545 D546 Q547 M551 G552 F553 I554 | L545-N549 VanDerWaalsContact O-CB 3.23Å; L545-N549 WeakPolarHBondContact O-CB 3.4Å; L545-N549 PolarHBondContact O-N 3.17Å; D546-N549 PolarHBondContact O-N 3.09Å; Q547-N549 VanDerWaalsContact C-N 3.32Å; Q547-N549 PolarHBondContact O-N 3.04Å; N549-M551 VanDerWaalsContact C-N 3.27Å; N549-M551 PolarHBondContact O-N 2.83Å; N549-G552 PolarHBondContact O-N 3.22Å; N549-G552 VanDerWaalsContact O-N 3.09Å; N549-F553 WeakPolarHBondContact CA-O 3.37Å; N549-I554 WeakPolarHBondContact OD1-CA 3.26Å |
| 550 | A | 81.3 | Confident | 81.2 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 70% | 0.702 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.4 | -28.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | D546 Q547 G552 | D546-A550 WeakPolarHBondContact O-CB 3.35Å; D546-A550 PolarHBondContact O-N 2.84Å; Q547-A550 PolarHBondContact O-N 3.42Å; A550-G552 VanDerWaalsContact C-N 3.27Å |
| 551 | M | 80.1 | Confident | 81.7 | Confident | 93 Ų | 93 | 73.6 Ų | 73.6 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 0.1 | 173.5 | -69.7 | -174.5 | -63.2 | 0 | 0 | 113.7 | Q547 L548 N549 F553 I570 I574 | Q547-M551 HydrophobicContact CG-CE 4.23Å; Q547-M551 WeakPolarHBondContact O-CG 3.32Å; Q547-M551 PolarHBondContact O-N 3.1Å; L548-M551 HydrophobicContact CD2-CE 3.92Å; L548-M551 HydrophobicContact CG-CE 4.44Å; L548-M551 CarbonylContact O-C 3.58Å; L548-M551 PolarHBondContact O-N 2.94Å; N549-M551 VanDerWaalsContact C-N 3.27Å; N549-M551 PolarHBondContact O-N 2.83Å; M551-F553 HydrophobicContact CB-CD2 4.41Å; M551-I570 HydrophobicContact CE-CG2 3.84Å; M551-I574 HydrophobicContact CE-CD1 3.52Å; M551-I574 HydrophobicContact CE-CG1 4.19Å; M551-I574 HydrophobicContact SD-CD1 4.05Å |
| 552 | G | 78.3 | Confident | 81.9 | Confident | 50 Ų | 50 | 72.7 Ų | 72.7 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | 4.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L548 N549 A550 I554 | L548-G552 PolarHBondContact O-N 3.14Å; N549-G552 PolarHBondContact O-N 3.22Å; N549-G552 VanDerWaalsContact O-N 3.09Å; A550-G552 VanDerWaalsContact C-N 3.27Å; G552-I554 PolarHBondContact O-N 3.35Å |
| 553 | F | 78.2 | Confident | 82 | Confident | 40 Ų | 40 | 67.9 Ų | 67.9 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | trans | -84.7 | 92.1 | 170.6 | -64.7 | -85.4 | 0 | 0 | 0 | 109.5 | L548 N549 M551 N559 I574 L577 | L548-F553 HydrophobicContact CB-CB 4.36Å; L548-F553 HydrophobicContact CD2-CD2 4.1Å; L548-F553 WeakPolarHBondContact O-CB 3.25Å; L548-F553 PolarHBondContact O-N 3.03Å; N549-F553 WeakPolarHBondContact CA-O 3.37Å; M551-F553 HydrophobicContact CB-CD2 4.41Å; F553-N559 WeakPolarHBondContact CB-ND2 3.43Å; F553-N559 WeakPolarHBondContact CB-OD1 3.35Å; F553-N559 PolarHBondContact O-ND2 3.3Å; F553-I574 HydrophobicContact CE2-CG1 4.28Å; F553-I574 HydrophobicContact CE2-CG2 4.1Å; F553-I574 HydrophobicContact CZ-CG2 4.06Å; F553-L577 HydrophobicContact CD1-CB 3.99Å; F553-L577 HydrophobicContact CD1-CD1 4.1Å; F553-L577 HydrophobicContact CE1-CB 3.76Å; F553-L577 HydrophobicContact CG-CD1 4.24Å; F553-L577 HydrophobicContact CZ-CB 4.45Å | ||
| 554 | I | 80.8 | Confident | 81.9 | Confident | 139 Ų | 139 | 67 Ų | 67 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | trans | -80.5 | -19.7 | -170.6 | -53.3 | 148 | 0 | 0 | 0 | 112.1 | N549 G552 R556 | N549-I554 WeakPolarHBondContact OD1-CA 3.26Å; G552-I554 PolarHBondContact O-N 3.35Å; I554-R556 PolarHBondContact O-N 3.14Å; I554-R556 VanDerWaalsContact O-N 3.08Å | ||
| 555 | N | 83.9 | Confident | 81.9 | Confident | 96 Ų | 96 | 67.3 Ų | 67.3 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | trans | -79.8 | 93.9 | -177.5 | -168.6 | -32 | 0 | 0 | 0 | 111.4 | E557 A558 N559 | N555-E557 VanDerWaalsContact C-N 3.29Å; N555-E557 PolarHBondContact O-N 3.33Å; N555-E557 PolarHBondContact OD1-N 3.07Å; N555-A558 HydrophobicContact CB-CB 4.1Å; N555-A558 PolarHBondContact O-N 3.1Å; N555-A558 PolarHBondContact OD1-N 3.14Å; N555-A558 VanDerWaalsContact OD1-N 3.14Å; N555-N559 WeakPolarHBondContact O-CB 3.28Å; N555-N559 PolarHBondContact O-N 2.9Å; N555-N559 PolarHBondContact O-ND2 3.15Å; N555-N559 PolarHBondContact O-OD1 2.96Å | ||
| 556 | R | 80.7 | Confident | 82 | Confident | 145 Ų | 145 | 68.7 Ų | 68.7 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.7 | -38.1 | 179.4 | -92.8 | -176.1 | -167 | 163.6 | 4.1 | 113.8 | I554 L560 | I554-R556 PolarHBondContact O-N 3.14Å; I554-R556 VanDerWaalsContact O-N 3.08Å; R556-L560 WeakPolarHBondContact O-CB 3.48Å; R556-L560 PolarHBondContact O-N 2.68Å |
| 557 | E | 82.4 | Confident | 81.8 | Confident | 157 Ų | 157 | 66.5 Ų | 66.5 | 73% | 0.734 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.3 | -44.8 | -178 | -76.6 | 179.8 | 88.9 | 0 | 0 | 111.8 | N555 N559 L560 Q561 | N555-E557 VanDerWaalsContact C-N 3.29Å; N555-E557 PolarHBondContact O-N 3.33Å; N555-E557 PolarHBondContact OD1-N 3.07Å; E557-N559 VanDerWaalsContact C-N 3.32Å; E557-N559 PolarHBondContact O-N 3.21Å; E557-L560 PolarHBondContact O-N 3.07Å; E557-Q561 WeakPolarHBondContact O-CB 3.39Å; E557-Q561 PolarHBondContact O-N 3.4Å |
| 558 | A | 81.9 | Confident | 81.6 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N555 Q561 A562 L577 | N555-A558 HydrophobicContact CB-CB 4.1Å; N555-A558 PolarHBondContact O-N 3.1Å; N555-A558 PolarHBondContact OD1-N 3.14Å; N555-A558 VanDerWaalsContact OD1-N 3.14Å; A558-Q561 PolarHBondContact O-N 3.1Å; A558-A562 WeakPolarHBondContact O-CB 3.43Å; A558-A562 PolarHBondContact O-N 3.09Å; A558-L577 HydrophobicContact CB-CD2 3.8Å |
| 559 | N | 83.2 | Confident | 81.6 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.011 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 178.3 | -65.5 | -4.3 | 0 | 0 | 0 | 112 | L545 L548 F553 N555 E557 Q561 A562 L563 L577 | L545-N559 HydrophobicContact CD2-CB 3.54Å; L548-N559 HydrophobicContact CB-CB 4.48Å; L548-N559 HydrophobicContact CD1-CB 3.79Å; F553-N559 WeakPolarHBondContact CB-ND2 3.43Å; F553-N559 WeakPolarHBondContact CB-OD1 3.35Å; F553-N559 PolarHBondContact O-ND2 3.3Å; N555-N559 WeakPolarHBondContact O-CB 3.28Å; N555-N559 PolarHBondContact O-N 2.9Å; N555-N559 PolarHBondContact O-ND2 3.15Å; N555-N559 PolarHBondContact O-OD1 2.96Å; E557-N559 VanDerWaalsContact C-N 3.32Å; E557-N559 PolarHBondContact O-N 3.21Å; N559-Q561 VanDerWaalsContact C-N 3.33Å; N559-A562 PolarHBondContact O-N 2.9Å; N559-L563 VanDerWaalsContact O-CB 3.32Å; N559-L563 WeakPolarHBondContact O-CB 3.48Å; N559-L563 WeakPolarHBondContact O-CD1 3.29Å; N559-L563 WeakPolarHBondContact O-CG 3.15Å; N559-L563 PolarHBondContact O-N 2.8Å; N559-L577 HydrophobicContact CB-CD1 4.38Å; N559-L577 WeakPolarHBondContact OD1-CD1 3.28Å; N559-L577 WeakPolarHBondContact OD1-CD2 3.24Å |
| 560 | L | 85.3 | Confident | 81.5 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.4 | 177.9 | 70.1 | 0 | 0 | 0 | 110.5 | P537 E538 F541 L545 R556 E557 L563 I564 | P537-L560 VanDerWaalsContact C-CD1 3.43Å; P537-L560 HydrophobicContact CB-CD1 3.95Å; P537-L560 HydrophobicContact CG-CD1 4.36Å; E538-L560 HydrophobicContact CB-CD1 4.34Å; E538-L560 HydrophobicContact CG-CD1 3.72Å; E538-L560 HydrophobicContact CG-CD2 3.51Å; E538-L560 HydrophobicContact CG-CG 4.18Å; F541-L560 HydrophobicContact CD2-CD1 4.48Å; L545-L560 HydrophobicContact CD1-CD1 4.17Å; L545-L560 HydrophobicContact CD2-CB 4.15Å; R556-L560 WeakPolarHBondContact O-CB 3.48Å; R556-L560 PolarHBondContact O-N 2.68Å; E557-L560 PolarHBondContact O-N 3.07Å; L560-L563 PolarHBondContact O-N 3.49Å; L560-I564 HydrophobicContact CD1-CD1 4.21Å; L560-I564 HydrophobicContact CD1-CG1 4.45Å; L560-I564 HydrophobicContact CD2-CD1 4.45Å; L560-I564 HydrophobicContact CG-CD1 3.83Å; L560-I564 HydrophobicContact CG-CG1 4.47Å; L560-I564 WeakPolarHBondContact O-CB 3.41Å; L560-I564 WeakPolarHBondContact O-CD1 3.36Å; L560-I564 WeakPolarHBondContact O-CG1 3.48Å; L560-I564 PolarHBondContact O-N 3.46Å |
| 561 | Q | 83.5 | Confident | 81.5 | Confident | 143 Ų | 143 | 68 Ų | 68 | 67% | 0.668 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.8 | -38.3 | 179.5 | -167.3 | 164.1 | 5.7 | 0 | 0 | 112.1 | E557 A558 N559 A565 | E557-Q561 WeakPolarHBondContact O-CB 3.39Å; E557-Q561 PolarHBondContact O-N 3.4Å; A558-Q561 PolarHBondContact O-N 3.1Å; N559-Q561 VanDerWaalsContact C-N 3.33Å; Q561-A565 WeakPolarHBondContact O-CB 3.4Å; Q561-A565 PolarHBondContact O-N 3.31Å |
| 562 | A | 81.8 | Confident | 81.7 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 7% | 0.066 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A558 N559 A565 T566 A573 L577 | A558-A562 WeakPolarHBondContact O-CB 3.43Å; A558-A562 PolarHBondContact O-N 3.09Å; N559-A562 PolarHBondContact O-N 2.9Å; A562-A565 CarbonylContact O-C 3.48Å; A562-A565 PolarHBondContact O-N 3.13Å; A562-T566 WeakPolarHBondContact O-CG2 3.45Å; A562-T566 PolarHBondContact O-N 2.93Å; A562-T566 PolarHBondContact O-OG1 3.22Å; A562-T566 VanDerWaalsContact O-OG1 3.07Å; A562-A573 HydrophobicContact CB-CB 3.92Å; A562-L577 HydrophobicContact CB-CD1 4.11Å; A562-L577 HydrophobicContact CB-CD2 4.08Å; A562-L577 HydrophobicContact CB-CG 3.7Å |
| 563 | L | 83.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 177.9 | -80.4 | 159.9 | 0 | 0 | 0 | 113.2 | F541 Q544 L545 L548 N559 L560 A565 T566 G567 G568 I570 A573 | F541-L563 HydrophobicContact CB-CB 4.25Å; F541-L563 HydrophobicContact CB-CD1 4.06Å; F541-L563 HydrophobicContact CD2-CB 4.11Å; F541-L563 HydrophobicContact CG-CB 4.08Å; Q544-L563 HydrophobicContact CB-CD1 3.76Å; Q544-L563 HydrophobicContact CB-CD2 3.54Å; Q544-L563 HydrophobicContact CB-CG 4.31Å; Q544-L563 HydrophobicContact CG-CD2 4.03Å; L545-L563 HydrophobicContact CD2-CD1 3.86Å; L545-L563 HydrophobicContact CG-CD1 3.96Å; L548-L563 HydrophobicContact CD1-CD1 3.46Å; L548-L563 VanDerWaalsContact CD1-CD1 3.46Å; L548-L563 HydrophobicContact CD1-CD2 4.43Å; L548-L563 HydrophobicContact CD1-CG 3.87Å; N559-L563 VanDerWaalsContact O-CB 3.32Å; N559-L563 WeakPolarHBondContact O-CB 3.48Å; N559-L563 WeakPolarHBondContact O-CD1 3.29Å; N559-L563 WeakPolarHBondContact O-CG 3.15Å; N559-L563 PolarHBondContact O-N 2.8Å; L560-L563 PolarHBondContact O-N 3.49Å; L563-A565 VanDerWaalsContact C-N 3.31Å; L563-T566 PolarHBondContact O-N 3.4Å; L563-T566 PolarHBondContact O-OG1 2.85Å; L563-G567 PolarHBondContact O-N 3.41Å; L563-G568 PolarHBondContact O-N 2.78Å; L563-I570 HydrophobicContact CD2-CG1 4.4Å; L563-A573 HydrophobicContact CD2-CB 4.14Å; L563-A573 HydrophobicContact CG-CB 4.09Å |
| 564 | I | 82.8 | Confident | 82 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 45% | 0.446 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 171.9 | -68.3 | 162.8 | 0 | 0 | 0 | 109.7 | P537 F541 L560 T566 G567 | P537-I564 HydrophobicContact CB-CD1 3.54Å; P537-I564 HydrophobicContact CB-CG1 3.54Å; P537-I564 HydrophobicContact CG-CD1 3.65Å; P537-I564 HydrophobicContact CG-CG1 4.23Å; F541-I564 HydrophobicContact CD2-CG1 4.3Å; F541-I564 HydrophobicContact CE2-CG1 3.98Å; L560-I564 HydrophobicContact CD1-CD1 4.21Å; L560-I564 HydrophobicContact CD1-CG1 4.45Å; L560-I564 HydrophobicContact CD2-CD1 4.45Å; L560-I564 HydrophobicContact CG-CD1 3.83Å; L560-I564 HydrophobicContact CG-CG1 4.47Å; L560-I564 WeakPolarHBondContact O-CB 3.41Å; L560-I564 WeakPolarHBondContact O-CD1 3.36Å; L560-I564 WeakPolarHBondContact O-CG1 3.48Å; L560-I564 PolarHBondContact O-N 3.46Å; I564-T566 VanDerWaalsContact C-N 3.3Å; I564-T566 PolarHBondContact O-N 3.25Å; I564-G567 PolarHBondContact O-N 2.94Å |
| 565 | A | 81.9 | Confident | 82.1 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 45% | 0.446 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -74.6 | -19 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q561 A562 L563 | Q561-A565 WeakPolarHBondContact O-CB 3.4Å; Q561-A565 PolarHBondContact O-N 3.31Å; A562-A565 CarbonylContact O-C 3.48Å; A562-A565 PolarHBondContact O-N 3.13Å; L563-A565 VanDerWaalsContact C-N 3.31Å |
| 566 | T | 84.1 | Confident | 81.8 | Confident | 33 Ų | 33 | 65.1 Ų | 65.1 | 20% | 0.202 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -104 | 1.2 | 174.5 | 62.5 | 0 | 0 | 0 | 0 | 113.2 | A562 L563 I564 G568 D569 A572 A573 | A562-T566 WeakPolarHBondContact O-CG2 3.45Å; A562-T566 PolarHBondContact O-N 2.93Å; A562-T566 PolarHBondContact O-OG1 3.22Å; A562-T566 VanDerWaalsContact O-OG1 3.07Å; L563-T566 PolarHBondContact O-N 3.4Å; L563-T566 PolarHBondContact O-OG1 2.85Å; I564-T566 VanDerWaalsContact C-N 3.3Å; I564-T566 PolarHBondContact O-N 3.25Å; T566-G568 VanDerWaalsContact C-N 3.31Å; T566-G568 PolarHBondContact O-N 3.32Å; T566-D569 PolarHBondContact OG1-O 3.32Å; T566-A572 HydrophobicContact CG2-CB 3.61Å; T566-A573 HydrophobicContact CG2-CB 4.41Å |
| 567 | G | 79.9 | Confident | 81.7 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 66% | 0.66 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 23.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | L563 I564 | L563-G567 PolarHBondContact O-N 3.41Å; I564-G567 PolarHBondContact O-N 2.94Å |
| 568 | G | 75.1 | Confident | 81.5 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.8 | 4.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L563 T566 I570 | L563-G568 PolarHBondContact O-N 2.78Å; T566-G568 VanDerWaalsContact C-N 3.31Å; T566-G568 PolarHBondContact O-N 3.32Å; G568-I570 PolarHBondContact O-N 3.12Å |
| 569 | D | 81.9 | Confident | 81.1 | Confident | 95 Ų | 95 | 58.4 Ų | 58.4 | 51% | 0.508 | 34% | 0.34 | S | S | . | . | trans | -83.1 | 113.8 | 178.8 | -139.2 | -52.9 | 0 | 0 | 0 | 110.9 | T566 A572 A573 | T566-D569 PolarHBondContact OG1-O 3.32Å; D569-A572 HydrophobicContact CB-CB 4.28Å; D569-A573 VanDerWaalsContact O-CB 3.26Å; D569-A573 WeakPolarHBondContact O-CB 3.37Å; D569-A573 PolarHBondContact O-N 2.99Å | ||
| 570 | I | 80.1 | Confident | 80.1 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.9 | -41.8 | -171.7 | -65.2 | 150.4 | 0 | 0 | 0 | 111.2 | Q544 L548 M551 L563 G568 A573 I574 | Q544-I570 HydrophobicContact CB-CD1 4.28Å; Q544-I570 HydrophobicContact CB-CG1 3.81Å; Q544-I570 HydrophobicContact CG-CD1 3.77Å; Q544-I570 HydrophobicContact CG-CG1 3.6Å; L548-I570 HydrophobicContact CD2-CG2 4.32Å; L548-I570 HydrophobicContact CG-CG2 4.49Å; M551-I570 HydrophobicContact CE-CG2 3.84Å; L563-I570 HydrophobicContact CD2-CG1 4.4Å; G568-I570 PolarHBondContact O-N 3.12Å; I570-A573 WeakPolarHBondContact O-CB 3.49Å; I570-A573 PolarHBondContact O-N 2.73Å; I570-I574 HydrophobicContact CG2-CD1 3.96Å; I570-I574 HydrophobicContact CG2-CG1 4.44Å; I570-I574 VanDerWaalsContact O-CG1 3.23Å; I570-I574 WeakPolarHBondContact O-CG1 3.41Å; I570-I574 PolarHBondContact O-N 3.45Å |
| 571 | N | 83.2 | Confident | 78.6 | Confident | 116 Ų | 116 | 67.5 Ų | 67.5 | 62% | 0.62 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68 | -43.5 | -177 | -68.3 | -57.5 | 0 | 0 | 0 | 111.8 | A573 I574 E575 | N571-A573 VanDerWaalsContact C-N 3.28Å; N571-A573 PolarHBondContact O-N 3.43Å; N571-I574 WeakPolarHBondContact O-CB 3.28Å; N571-I574 PolarHBondContact O-N 2.89Å; N571-E575 PolarHBondContact O-N 3.08Å; N571-E575 VanDerWaalsContact O-N 3.07Å |
| 572 | A | 82.8 | Confident | 77.3 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.4 | -32.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | T566 D569 E575 R576 | T566-A572 HydrophobicContact CG2-CB 3.61Å; D569-A572 HydrophobicContact CB-CB 4.28Å; A572-E575 PolarHBondContact O-N 3.44Å; A572-R576 PolarHBondContact O-N 2.96Å; A572-R576 VanDerWaalsContact O-N 3.11Å |
| 573 | A | 81.7 | Confident | 75.3 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.8 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | A562 L563 T566 D569 I570 N571 R576 L577 | A562-A573 HydrophobicContact CB-CB 3.92Å; L563-A573 HydrophobicContact CD2-CB 4.14Å; L563-A573 HydrophobicContact CG-CB 4.09Å; T566-A573 HydrophobicContact CG2-CB 4.41Å; D569-A573 VanDerWaalsContact O-CB 3.26Å; D569-A573 WeakPolarHBondContact O-CB 3.37Å; D569-A573 PolarHBondContact O-N 2.99Å; I570-A573 WeakPolarHBondContact O-CB 3.49Å; I570-A573 PolarHBondContact O-N 2.73Å; N571-A573 VanDerWaalsContact C-N 3.28Å; N571-A573 PolarHBondContact O-N 3.43Å; A573-R576 PolarHBondContact O-N 3.24Å; A573-L577 WeakPolarHBondContact O-CB 3.43Å; A573-L577 WeakPolarHBondContact O-CD1 3.43Å; A573-L577 VanDerWaalsContact O-CG 3.23Å; A573-L577 WeakPolarHBondContact O-CG 3.42Å; A573-L577 PolarHBondContact O-N 3.48Å |
| 574 | I | 82.2 | Confident | 74.9 | Confident | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.185 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 173.4 | -65.8 | 162.7 | 0 | 0 | 0 | 110.8 | L548 M551 F553 I570 N571 R576 L577 L578 | L548-I574 HydrophobicContact CD2-CD1 4.31Å; L548-I574 HydrophobicContact CD2-CG1 3.5Å; L548-I574 VanDerWaalsContact CD2-CG1 3.5Å; M551-I574 HydrophobicContact CE-CD1 3.52Å; M551-I574 HydrophobicContact CE-CG1 4.19Å; M551-I574 HydrophobicContact SD-CD1 4.05Å; F553-I574 HydrophobicContact CE2-CG1 4.28Å; F553-I574 HydrophobicContact CE2-CG2 4.1Å; F553-I574 HydrophobicContact CZ-CG2 4.06Å; I570-I574 HydrophobicContact CG2-CD1 3.96Å; I570-I574 HydrophobicContact CG2-CG1 4.44Å; I570-I574 VanDerWaalsContact O-CG1 3.23Å; I570-I574 WeakPolarHBondContact O-CG1 3.41Å; I570-I574 PolarHBondContact O-N 3.45Å; N571-I574 WeakPolarHBondContact O-CB 3.28Å; N571-I574 PolarHBondContact O-N 2.89Å; I574-R576 VanDerWaalsContact C-N 3.29Å; I574-R576 PolarHBondContact O-N 3.48Å; I574-L577 PolarHBondContact O-N 3.03Å; I574-L578 VanDerWaalsContact O-CB 3.24Å; I574-L578 WeakPolarHBondContact O-CB 3.48Å; I574-L578 PolarHBondContact O-N 2.78Å |
| 575 | E | 81.9 | Confident | 74.4 | Confident | 149 Ų | 149 | 78.5 Ų | 78.5 | 70% | 0.696 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.4 | -38.1 | 178.2 | -73.3 | -174.3 | 103.5 | 0 | 0 | 112.1 | N571 A572 G579 | N571-E575 PolarHBondContact O-N 3.08Å; N571-E575 VanDerWaalsContact O-N 3.07Å; A572-E575 PolarHBondContact O-N 3.44Å; E575-G579 PolarHBondContact O-N 3.46Å |
| 576 | R | 79.1 | Confident | 74 | Confident | 136 Ų | 136 | 79.9 Ų | 79.9 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71 | -41.4 | 173.4 | -70.2 | -169.1 | 100.6 | 161.2 | 5.6 | 112.5 | A572 A573 I574 L578 G579 S580 | A572-R576 PolarHBondContact O-N 2.96Å; A572-R576 VanDerWaalsContact O-N 3.11Å; A573-R576 PolarHBondContact O-N 3.24Å; I574-R576 VanDerWaalsContact C-N 3.29Å; I574-R576 PolarHBondContact O-N 3.48Å; R576-L578 VanDerWaalsContact C-N 3.33Å; R576-L578 PolarHBondContact O-N 3.44Å; R576-G579 CarbonylContact O-C 3.55Å; R576-G579 PolarHBondContact O-N 2.78Å; R576-S580 WeakPolarHBondContact O-CB 3.42Å; R576-S580 PolarHBondContact O-N 2.67Å; R576-S580 PolarHBondContact O-OG 3.07Å |
| 577 | L | 78.1 | Confident | 73.4 | Confident | 13 Ų | 13 | 82.6 Ų | 82.6 | 7% | 0.068 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 177.5 | -76.2 | 163.9 | 0 | 0 | 0 | 112.1 | L548 F553 A558 N559 A562 A573 I574 S580 Q581 | L548-L577 HydrophobicContact CD1-CD1 4.13Å; L548-L577 HydrophobicContact CD2-CD1 4Å; F553-L577 HydrophobicContact CD1-CB 3.99Å; F553-L577 HydrophobicContact CD1-CD1 4.1Å; F553-L577 HydrophobicContact CE1-CB 3.76Å; F553-L577 HydrophobicContact CG-CD1 4.24Å; F553-L577 HydrophobicContact CZ-CB 4.45Å; A558-L577 HydrophobicContact CB-CD2 3.8Å; N559-L577 HydrophobicContact CB-CD1 4.38Å; N559-L577 WeakPolarHBondContact OD1-CD1 3.28Å; N559-L577 WeakPolarHBondContact OD1-CD2 3.24Å; A562-L577 HydrophobicContact CB-CD1 4.11Å; A562-L577 HydrophobicContact CB-CD2 4.08Å; A562-L577 HydrophobicContact CB-CG 3.7Å; A573-L577 WeakPolarHBondContact O-CB 3.43Å; A573-L577 WeakPolarHBondContact O-CD1 3.43Å; A573-L577 VanDerWaalsContact O-CG 3.23Å; A573-L577 WeakPolarHBondContact O-CG 3.42Å; A573-L577 PolarHBondContact O-N 3.48Å; I574-L577 PolarHBondContact O-N 3.03Å; L577-S580 PolarHBondContact O-N 2.95Å; L577-Q581 PolarHBondContact O-N 3.12Å |
| 578 | L | 78.2 | Confident | 73 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 60% | 0.597 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.5 | -34 | 176.9 | -167.2 | 65.8 | 0 | 0 | 0 | 111.8 | I574 R576 | I574-L578 VanDerWaalsContact O-CB 3.24Å; I574-L578 WeakPolarHBondContact O-CB 3.48Å; I574-L578 PolarHBondContact O-N 2.78Å; R576-L578 VanDerWaalsContact C-N 3.33Å; R576-L578 PolarHBondContact O-N 3.44Å |
| 579 | G | 72.1 | Confident | 72.9 | Confident | 69 Ų | 69 | 88.3 Ų | 88.3 | 71% | 0.711 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -77.9 | -16.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E575 R576 | E575-G579 PolarHBondContact O-N 3.46Å; R576-G579 CarbonylContact O-C 3.55Å; R576-G579 PolarHBondContact O-N 2.78Å |
| 580 | S | 64.1 | Low | 72.3 | Confident | 88 Ų | 88 | 87.8 Ų | 87.8 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -103.2 | -3.5 | -177.4 | -51.2 | 0 | 0 | 0 | 0 | 113.7 | R576 L577 P582 | R576-S580 WeakPolarHBondContact O-CB 3.42Å; R576-S580 PolarHBondContact O-N 2.67Å; R576-S580 PolarHBondContact O-OG 3.07Å; L577-S580 PolarHBondContact O-N 2.95Å; S580-P582 WeakPolarHBondContact O-CD 3.47Å |
| 581 | Q | 53.1 | Low | 71.7 | Confident | 126 Ų | 126 | 92 Ų | 92 | 59% | 0.589 | 54% | 0.54 | S | S | * | . | trans | -72.3 | 111.1 | 171.1 | -92.4 | -171.9 | -25.5 | 0 | 0 | 109.4 | L577 S583 | L577-Q581 PolarHBondContact O-N 3.12Å; Q581-S583 PolarHBondContact O-N 2.82Å | ||
| 582 | P | 55.2 | Low | 70.7 | Confident | 121 Ų | 121 | 90 Ų | 90 | 79% | 0.786 | 53% | 0.533 | S | S | * | . | trans | -65.5 | 132.8 | 162 | 29.9 | -32.2 | 0 | 0 | 0 | 108 | S580 | S580-P582 WeakPolarHBondContact O-CD 3.47Š| ||
| 583 | S | 39.9 | Very low | 69.6 | Low | 192 Ų | 192 | 94.9 Ų | 94.9 | 100% | 1.343 | 56% | 0.555 | S | S | * | * | trans | -58.2 | 0 | 179.5 | -51.7 | 0 | 0 | 0 | 0 | 113.7 | Q581 | Q581-S583 PolarHBondContact O-N 2.82Š|
Retrieved 583 of 583 residues in 127.2 ms
(Link to these results)