| 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 | 36.7 | Very low | 228 Ų | 228 | 139.5 Ų | 139.5 | 100% | 1.123 | 84% | 0.837 | S | S | * | * | 0 | 89 | 0 | -62.9 | -179 | 138.9 | 0 | 0 | 106.4 | |||||
| 2 | T | 36 | Very low | 36.8 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | cis | 54.9 | 133.1 | 26.4 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3 | S | 36.9 | Very low | 37.2 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | cis | -149.5 | 143.8 | 25.6 | 47.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 4 | F | 32.6 | Very low | 37.4 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | 31.7 | 138.3 | 142.4 | -60.7 | -74 | 0 | 0 | 0 | 123.7 | ||||
| 5 | S | 39.2 | Very low | 37.5 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -82.5 | 147.1 | 160.9 | -39.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 6 | T | 36.4 | Very low | 37.4 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -143 | 138.1 | 162.3 | -44.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 7 | S | 39.6 | Very low | 37.4 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -89.1 | 143.3 | 172 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 8 | A | 38.2 | Very low | 37.7 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -133.3 | 143.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | Q | 40.5 | Very low | 37.9 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -100.1 | -159.1 | 175.4 | -63 | 179.4 | -14.1 | 0 | 0 | 109.7 | ||||
| 10 | C | 27.3 | Very low | 38.3 | Very low | 120 Ų | 120 | 136 Ų | 136 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | 78.8 | 132 | 174.6 | -54.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 11 | S | 34.4 | Very low | 38.6 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | cis | -152.3 | 153.2 | -10.1 | -86.7 | 0 | 0 | 0 | 0 | 110.9 | S13 | S11-S13 PolarHBondContact O-N 3.21Š| ||
| 12 | T | 38.6 | Very low | 38.8 | Very low | 131 Ų | 131 | 127 Ų | 127 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -65.9 | 114.9 | 165.7 | 45.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 13 | S | 42 | Very low | 39.6 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -102.2 | 79.8 | 163.8 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | S11 S15 | S11-S13 PolarHBondContact O-N 3.21Å; S13-S15 VanDerWaalsContact C-N 3.33Å; S13-S15 PolarHBondContact O-N 3.42Å | ||
| 14 | D | 39.2 | Very low | 40.7 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -58.3 | 99.1 | 163.5 | -86.9 | -60.6 | 0 | 0 | 0 | 109 | A16 | D14-A16 HydrophobicContact CB-CB 4.46Å; D14-A16 PolarHBondContact O-N 3.38Å | ||
| 15 | S | 40.2 | Very low | 42.6 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -75.1 | 50.9 | 164.3 | 52.5 | 0 | 0 | 0 | 0 | 109.8 | S13 C17 | S13-S15 VanDerWaalsContact C-N 3.33Å; S13-S15 PolarHBondContact O-N 3.42Å; S15-C17 VanDerWaalsContact C-N 3.31Å; S15-C17 PolarHBondContact O-N 2.95Å | ||
| 16 | A | 35.1 | Very low | 44.6 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 60% | 0.595 | 75% | 0.747 | S | S | * | * | trans | -63 | 94.5 | 170 | 0 | 0 | 0 | 0 | 0 | 108 | D14 R18 | D14-A16 HydrophobicContact CB-CB 4.46Å; D14-A16 PolarHBondContact O-N 3.38Å; A16-R18 PolarHBondContact O-N 3.28Å | ||
| 17 | C | 37.5 | Very low | 46.9 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | -55 | 105.2 | 171.1 | -65.3 | 0 | 0 | 0 | 0 | 107.8 | S15 I19 | S15-C17 VanDerWaalsContact C-N 3.31Å; S15-C17 PolarHBondContact O-N 2.95Å; C17-I19 PolarHBondContact O-N 3.23Å | ||
| 18 | R | 43.7 | Very low | 49.4 | Very low | 248 Ų | 248 | 125 Ų | 125 | 94% | 0.936 | 72% | 0.718 | S | S | * | * | trans | -71.2 | 76.5 | 177.3 | -69.7 | -170.4 | 180 | -141.5 | 2.3 | 109.4 | A16 S20 | A16-R18 PolarHBondContact O-N 3.28Å; R18-S20 PolarHBondContact O-N 3.19Å | ||
| 19 | I | 41 | Very low | 51.7 | Low | 155 Ų | 155 | 121.1 Ų | 121.1 | 80% | 0.795 | 68% | 0.684 | S | S | * | * | trans | -59.8 | 117.9 | 163.6 | -60 | 174.7 | 0 | 0 | 0 | 105.8 | C17 | C17-I19 PolarHBondContact O-N 3.23Š| ||
| 20 | S | 44.9 | Very low | 54.2 | Low | 100 Ų | 100 | 120.8 Ų | 120.8 | 70% | 0.699 | 68% | 0.68 | S | S | * | * | trans | -56.2 | 143.8 | 175.2 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | R18 G22 | R18-S20 PolarHBondContact O-N 3.19Å; S20-G22 PolarHBondContact O-N 3.31Å | ||
| 21 | P | 45.2 | Very low | 57.2 | Low | 122 Ų | 122 | 120.3 Ų | 120.3 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | trans | -74.2 | 63.7 | -178.4 | 32.8 | -37.5 | 0 | 0 | 0 | 112 | ||||
| 22 | G | 46 | Very low | 60.1 | Low | 53 Ų | 53 | 120 Ų | 120 | 55% | 0.546 | 66% | 0.664 | S | S | . | * | trans | -58.1 | 138.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | S20 I24 | S20-G22 PolarHBondContact O-N 3.31Å; G22-I24 WeakPolarHBondContact O-CG1 3.38Å; G22-I24 PolarHBondContact O-N 2.98Å | ||
| 23 | Q | 53 | Low | 62.5 | Low | 181 Ų | 181 | 118 Ų | 118 | 85% | 0.846 | 65% | 0.649 | S | S | * | * | trans | -61.4 | 103.5 | -173.5 | -71.2 | 172.1 | -84.6 | 0 | 0 | 110.2 | N25 | Q23-N25 PolarHBondContact O-N 3.2Š| ||
| 24 | I | 59.5 | Low | 65 | Low | 117 Ų | 117 | 113.4 Ų | 113.4 | 60% | 0.6 | 62% | 0.615 | S | S | * | * | trans | -74.8 | 97.2 | 179.4 | -38 | 176.2 | 0 | 0 | 0 | 106.9 | G22 Q26 T48 | G22-I24 WeakPolarHBondContact O-CG1 3.38Å; G22-I24 PolarHBondContact O-N 2.98Å; I24-Q26 VanDerWaalsContact C-N 3.26Å; I24-Q26 PolarHBondContact O-N 3.12Å; I24-T48 HydrophobicContact CG2-CG2 3.42Å; I24-T48 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 25 | N | 72.4 | Confident | 67.5 | Low | 108 Ų | 108 | 113.1 Ų | 113.1 | 58% | 0.578 | 61% | 0.607 | S | S | * | * | trans | -66.1 | 87 | 179.5 | -73.7 | -27.5 | 0 | 0 | 0 | 109.9 | Q23 V49 | Q23-N25 PolarHBondContact O-N 3.2Å; N25-V49 PolarHBondContact O-N 3.11Å | ||
| 26 | Q | 81.4 | Confident | 70.1 | Confident | 107 Ų | 107 | 113.1 Ų | 113.1 | 50% | 0.5 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 119.4 | 172.4 | -69.6 | -173.6 | 36.4 | 0 | 0 | 109 | I24 F47 T48 | I24-Q26 VanDerWaalsContact C-N 3.26Å; I24-Q26 PolarHBondContact O-N 3.12Å; Q26-F47 WeakPolarHBondContact CA-O 3.37Å; Q26-T48 HydrophobicContact CG-CG2 4.03Å |
| 27 | V | 85.4 | Confident | 72.9 | Confident | 68 Ų | 68 | 112 Ų | 112 | 41% | 0.412 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 147.8 | 177.3 | -64 | 0 | 0 | 0 | 0 | 110 | P29 M46 F47 V49 | V27-P29 WeakPolarHBondContact O-CD 3.18Å; V27-M46 WeakPolarHBondContact O-CA 3.39Å; V27-F47 PolarHBondContact N-O 2.77Å; V27-F47 PolarHBondContact O-N 2.85Å; V27-V49 HydrophobicContact CB-CG2 4.45Å; V27-V49 HydrophobicContact CG1-CG2 3.82Å; V27-V49 HydrophobicContact CG2-CG2 3.73Å |
| 28 | R | 91.2 | Very high | 75.7 | Confident | 174 Ų | 174 | 110.5 Ų | 110.5 | 66% | 0.657 | 56% | 0.562 | S | S | * | * | trans | -99.9 | 104.8 | 169 | -170.3 | 175.8 | -175.5 | -137.4 | 2.3 | 108.3 | E45 | R28-E45 HydrophobicContact CG-CB 4.4Å; R28-E45 IonicContact CZ-OE2 2.66Å; R28-E45 IonicContact NE-OE2 3.56Å; R28-E45 PolarHBondContact NE-OE2 3.15Å; R28-E45 IonicContact NH2-OE1 2.77Å; R28-E45 IonicContact NH2-OE2 3.11Å; R28-E45 PolarHBondContact NH2-OE2 3.14Å | ||
| 29 | P | 87.6 | Confident | 78.1 | Confident | 19 Ų | 19 | 103.1 Ų | 103.1 | 12% | 0.123 | 55% | 0.554 | C | S | . | * | trans | -61 | 148.8 | -175.2 | -26.3 | 36.5 | 0 | 0 | 0 | 112.8 | V27 L33 L34 L37 E45 F47 | V27-P29 WeakPolarHBondContact O-CD 3.18Å; P29-L33 HydrophobicContact CB-CB 4.09Å; P29-L33 HydrophobicContact CB-CD2 4.08Å; P29-L33 HydrophobicContact CB-CG 3.99Å; P29-L34 HydrophobicContact CB-CB 4.45Å; P29-L37 HydrophobicContact CB-CD1 4.4Å; P29-L37 HydrophobicContact CG-CD1 3.87Å; P29-E45 VanDerWaalsContact CD-O 3.25Å; P29-E45 WeakPolarHBondContact CD-O 3.39Å; P29-F47 HydrophobicContact CG-CD2 3.56Å; P29-F47 HydrophobicContact CG-CE2 4.11Å; P29-F47 HydrophobicContact CG-CG 4.28Å | ||
| 30 | K | 91.9 | Very high | 80.6 | Confident | 180 Ų | 180 | 99.8 Ų | 99.8 | 78% | 0.783 | 55% | 0.55 | S | S | * | . | trans | -59.3 | 145.5 | 169.3 | -66.5 | -179.6 | -178.7 | 174.9 | 0 | 109.6 | P32 L33 L34 | K30-P32 VanDerWaalsContact C-N 3.31Å; K30-P32 WeakPolarHBondContact O-CD 3.25Å; K30-L33 PolarHBondContact O-N 3.49Å; K30-L34 PolarHBondContact O-N 2.89Å; K30-L34 VanDerWaalsContact O-N 3.13Å | ||
| 31 | L | 91.9 | Very high | 82.9 | Confident | 110 Ų | 110 | 97.6 Ų | 97.6 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -46.8 | -37.2 | -171 | -175.8 | 62.4 | 0 | 0 | 0 | 116.2 | L34 K35 | L31-L34 HydrophobicContact CD1-CD2 4.5Å; L31-K35 HydrophobicContact CD1-CG 4.41Å; L31-K35 WeakPolarHBondContact O-CG 3.45Å; L31-K35 PolarHBondContact O-N 3.36Å; L31-K35 VanDerWaalsContact O-N 3.12Å |
| 32 | P | 93.6 | Very high | 85.1 | Confident | 96 Ų | 96 | 93.6 Ų | 93.6 | 62% | 0.623 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 175 | -23.9 | 35.5 | 0 | 0 | 0 | 113.4 | K30 I36 | K30-P32 VanDerWaalsContact C-N 3.31Å; K30-P32 WeakPolarHBondContact O-CD 3.25Å; P32-I36 WeakPolarHBondContact O-CG1 3.44Å; P32-I36 PolarHBondContact O-N 3.47Å |
| 33 | L | 90.5 | Very high | 87.1 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72 | -38.5 | 179.2 | 179.7 | 54.9 | 0 | 0 | 0 | 111.3 | P29 K30 K35 I36 L37 | P29-L33 HydrophobicContact CB-CB 4.09Å; P29-L33 HydrophobicContact CB-CD2 4.08Å; P29-L33 HydrophobicContact CB-CG 3.99Å; K30-L33 PolarHBondContact O-N 3.49Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 2.81Å; L33-I36 PolarHBondContact O-N 2.98Å; L33-I36 VanDerWaalsContact O-N 3.12Å; L33-L37 HydrophobicContact CD1-CD1 4.4Å; L33-L37 HydrophobicContact CD1-CG 4.35Å; L33-L37 HydrophobicContact CG-CD1 4.12Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.28Å |
| 34 | L | 92.9 | Very high | 88.8 | Confident | 14 Ų | 14 | 93.2 Ų | 93.2 | 7% | 0.073 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -56.7 | -43.9 | 174.6 | -176 | 62.5 | 0 | 0 | 0 | 111.9 | P29 K30 L31 I36 L37 H38 E45 F47 | P29-L34 HydrophobicContact CB-CB 4.45Å; K30-L34 PolarHBondContact O-N 2.89Å; K30-L34 VanDerWaalsContact O-N 3.13Å; L31-L34 HydrophobicContact CD1-CD2 4.5Å; L34-I36 VanDerWaalsContact C-N 3.34Å; L34-I36 PolarHBondContact O-N 3.1Å; L34-L37 PolarHBondContact O-N 3.39Å; L34-H38 WeakPolarHBondContact CD1-NE2 3.49Å; L34-H38 PolarHBondContact O-N 2.94Å; L34-E45 HydrophobicContact CD1-CB 4.47Å; L34-E45 HydrophobicContact CD2-CG 4.35Å; L34-F47 HydrophobicContact CD1-CE2 3.71Å; L34-F47 HydrophobicContact CD1-CZ 4.27Å |
| 35 | K | 93.2 | Very high | 90.2 | Very high | 136 Ų | 136 | 91.9 Ų | 91.9 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.2 | -37.5 | 175.8 | -74.6 | 178.5 | 177.7 | -174.7 | 0 | 113.2 | L31 L33 A39 | L31-K35 HydrophobicContact CD1-CG 4.41Å; L31-K35 WeakPolarHBondContact O-CG 3.45Å; L31-K35 PolarHBondContact O-N 3.36Å; L31-K35 VanDerWaalsContact O-N 3.12Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 2.81Å; K35-A39 WeakPolarHBondContact O-CB 3.41Å; K35-A39 PolarHBondContact O-N 3.03Å |
| 36 | I | 94.9 | Very high | 91 | Very high | 113 Ų | 113 | 92.7 Ų | 92.7 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.6 | -43.4 | 177.3 | -65.4 | 166.2 | 0 | 0 | 0 | 110.3 | P32 L33 L34 A39 A40 | P32-I36 WeakPolarHBondContact O-CG1 3.44Å; P32-I36 PolarHBondContact O-N 3.47Å; L33-I36 PolarHBondContact O-N 2.98Å; L33-I36 VanDerWaalsContact O-N 3.12Å; L34-I36 VanDerWaalsContact C-N 3.34Å; L34-I36 PolarHBondContact O-N 3.1Å; I36-A39 PolarHBondContact O-N 3.32Å; I36-A40 PolarHBondContact O-N 2.69Å |
| 37 | L | 93.9 | Very high | 91.3 | Very high | 47 Ų | 47 | 89.5 Ų | 89.5 | 25% | 0.246 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 177 | -67.5 | 166 | 0 | 0 | 0 | 111.7 | P29 L33 L34 A40 G41 A42 F47 | P29-L37 HydrophobicContact CB-CD1 4.4Å; P29-L37 HydrophobicContact CG-CD1 3.87Å; L33-L37 HydrophobicContact CD1-CD1 4.4Å; L33-L37 HydrophobicContact CD1-CG 4.35Å; L33-L37 HydrophobicContact CG-CD1 4.12Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.28Å; L34-L37 PolarHBondContact O-N 3.39Å; L37-A40 CarbonylContact O-C 3.59Å; L37-A40 PolarHBondContact O-N 2.81Å; L37-G41 PolarHBondContact O-N 3.34Å; L37-A42 HydrophobicContact CB-CB 4.37Å; L37-A42 VanDerWaalsContact O-CB 3.29Å; L37-A42 WeakPolarHBondContact O-CB 3.14Å; L37-A42 PolarHBondContact O-N 3.1Å; L37-F47 HydrophobicContact CB-CE1 4.08Å; L37-F47 HydrophobicContact CB-CZ 3.95Å; L37-F47 HydrophobicContact CD1-CD1 4.04Å; L37-F47 HydrophobicContact CD1-CD2 4.08Å; L37-F47 HydrophobicContact CD1-CE1 3.9Å; L37-F47 HydrophobicContact CD1-CE2 3.94Å; L37-F47 HydrophobicContact CD1-CG 4.12Å; L37-F47 HydrophobicContact CD1-CZ 3.86Å; L37-F47 HydrophobicContact CD2-CE1 4.46Å; L37-F47 HydrophobicContact CG-CE1 4.37Å; L37-F47 HydrophobicContact CG-CZ 4.47Å |
| 38 | H | 95.2 | Very high | 91.5 | Very high | 82 Ų | 82 | 90.5 Ų | 90.5 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 173.9 | -67.7 | 174.1 | 0 | 0 | 0 | 112.6 | L34 A40 G41 A42 G44 | L34-H38 WeakPolarHBondContact CD1-NE2 3.49Å; L34-H38 PolarHBondContact O-N 2.94Å; H38-A40 PolarHBondContact O-N 2.93Å; H38-G41 PolarHBondContact O-N 3.17Å; H38-A42 PolarHBondContact CD2-O 3.27Å; H38-A42 VanDerWaalsContact CD2-O 3.32Å; H38-G44 PolarHBondContact NE2-O 3.07Å |
| 39 | A | 94.6 | Very high | 90.9 | Very high | 92 Ų | 92 | 86.5 Ų | 86.5 | 76% | 0.76 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.1 | -26.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K35 I36 G41 | K35-A39 WeakPolarHBondContact O-CB 3.41Å; K35-A39 PolarHBondContact O-N 3.03Å; I36-A39 PolarHBondContact O-N 3.32Å; A39-G41 PolarHBondContact O-N 3.29Å |
| 40 | A | 93.6 | Very high | 90.5 | Very high | 85 Ų | 85 | 94.1 Ų | 94.1 | 70% | 0.702 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 3.7 | 170 | 0 | 0 | 0 | 0 | 0 | 113.8 | I36 L37 H38 | I36-A40 PolarHBondContact O-N 2.69Å; L37-A40 CarbonylContact O-C 3.59Å; L37-A40 PolarHBondContact O-N 2.81Å; H38-A40 PolarHBondContact O-N 2.93Å |
| 41 | G | 92.4 | Very high | 89.4 | Confident | 55 Ų | 55 | 93.1 Ų | 93.1 | 57% | 0.567 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L37 H38 A39 | L37-G41 PolarHBondContact O-N 3.34Å; H38-G41 PolarHBondContact O-N 3.17Å; A39-G41 PolarHBondContact O-N 3.29Å |
| 42 | A | 92.6 | Very high | 87.6 | Confident | 38 Ų | 38 | 93.4 Ų | 93.4 | 31% | 0.314 | 53% | 0.531 | S | S | . | . | trans | -74 | 148.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | L37 H38 F47 | L37-A42 HydrophobicContact CB-CB 4.37Å; L37-A42 VanDerWaalsContact O-CB 3.29Å; L37-A42 WeakPolarHBondContact O-CB 3.14Å; L37-A42 PolarHBondContact O-N 3.1Å; H38-A42 PolarHBondContact CD2-O 3.27Å; H38-A42 VanDerWaalsContact CD2-O 3.32Å; A42-F47 HydrophobicContact CB-CE1 3.87Å; A42-F47 HydrophobicContact CB-CZ 4.44Å | ||
| 43 | Q | 87.5 | Confident | 85.8 | Confident | 179 Ų | 179 | 95.3 Ų | 95.3 | 84% | 0.836 | 54% | 0.535 | S | S | * | . | trans | -117.3 | 148.1 | -171.8 | -60 | 179.9 | 8.1 | 0 | 0 | 111.3 | ||||
| 44 | G | 89 | Confident | 83.6 | Confident | 47 Ų | 47 | 99.7 Ų | 99.7 | 49% | 0.485 | 55% | 0.553 | S | S | . | * | S | Bend | trans | 85 | -177 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | H38 | H38-G44 PolarHBondContact NE2-O 3.07Š|
| 45 | E | 89 | Confident | 81.3 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 41% | 0.411 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -117.3 | -12.3 | -176.9 | -60.7 | -168 | 157.8 | 0 | 0 | 114.5 | R28 P29 L34 | R28-E45 HydrophobicContact CG-CB 4.4Å; R28-E45 IonicContact CZ-OE2 2.66Å; R28-E45 IonicContact NE-OE2 3.56Å; R28-E45 PolarHBondContact NE-OE2 3.15Å; R28-E45 IonicContact NH2-OE1 2.77Å; R28-E45 IonicContact NH2-OE2 3.11Å; R28-E45 PolarHBondContact NH2-OE2 3.14Å; P29-E45 VanDerWaalsContact CD-O 3.25Å; P29-E45 WeakPolarHBondContact CD-O 3.39Å; L34-E45 HydrophobicContact CD1-CB 4.47Å; L34-E45 HydrophobicContact CD2-CG 4.35Å |
| 46 | M | 89 | Confident | 78.9 | Confident | 125 Ų | 125 | 101 Ų | 101 | 62% | 0.616 | 58% | 0.584 | S | S | * | * | trans | -107.3 | 132.3 | 179.6 | -60.5 | -168.7 | -56.6 | 0 | 0 | 109.6 | V27 | V27-M46 WeakPolarHBondContact O-CA 3.39Š| ||
| 47 | F | 87.9 | Confident | 76.4 | Confident | 40 Ų | 40 | 104.3 Ų | 104.3 | 18% | 0.175 | 60% | 0.595 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.6 | 140.4 | -174.7 | -63.8 | -96.4 | 0 | 0 | 0 | 109.3 | Q26 V27 P29 L34 L37 A42 | Q26-F47 WeakPolarHBondContact CA-O 3.37Å; V27-F47 PolarHBondContact N-O 2.77Å; V27-F47 PolarHBondContact O-N 2.85Å; P29-F47 HydrophobicContact CG-CD2 3.56Å; P29-F47 HydrophobicContact CG-CE2 4.11Å; P29-F47 HydrophobicContact CG-CG 4.28Å; L34-F47 HydrophobicContact CD1-CE2 3.71Å; L34-F47 HydrophobicContact CD1-CZ 4.27Å; L37-F47 HydrophobicContact CB-CE1 4.08Å; L37-F47 HydrophobicContact CB-CZ 3.95Å; L37-F47 HydrophobicContact CD1-CD1 4.04Å; L37-F47 HydrophobicContact CD1-CD2 4.08Å; L37-F47 HydrophobicContact CD1-CE1 3.9Å; L37-F47 HydrophobicContact CD1-CE2 3.94Å; L37-F47 HydrophobicContact CD1-CG 4.12Å; L37-F47 HydrophobicContact CD1-CZ 3.86Å; L37-F47 HydrophobicContact CD2-CE1 4.46Å; L37-F47 HydrophobicContact CG-CE1 4.37Å; L37-F47 HydrophobicContact CG-CZ 4.47Å; A42-F47 HydrophobicContact CB-CE1 3.87Å; A42-F47 HydrophobicContact CB-CZ 4.44Å |
| 48 | T | 88.2 | Confident | 73.7 | Confident | 89 Ų | 89 | 109.2 Ų | 109.2 | 55% | 0.546 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.2 | 178 | 50.2 | 0 | 0 | 0 | 0 | 109.9 | I24 Q26 K50 | I24-T48 HydrophobicContact CG2-CG2 3.42Å; I24-T48 VanDerWaalsContact CG2-CG2 3.42Å; Q26-T48 HydrophobicContact CG-CG2 4.03Å; T48-K50 PolarHBondContact O-N 3.01Å |
| 49 | V | 79.3 | Confident | 71.4 | Confident | 90 Ų | 90 | 112.7 Ų | 112.7 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | trans | -72.2 | 114 | 168.8 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | N25 V27 | N25-V49 PolarHBondContact O-N 3.11Å; V27-V49 HydrophobicContact CB-CG2 4.45Å; V27-V49 HydrophobicContact CG1-CG2 3.82Å; V27-V49 HydrophobicContact CG2-CG2 3.73Å | ||
| 50 | K | 79.5 | Confident | 69.1 | Low | 179 Ų | 179 | 115.9 Ų | 115.9 | 78% | 0.778 | 65% | 0.647 | S | S | * | * | trans | -104.8 | 99.3 | 168.4 | -173.7 | -179.3 | 178.4 | -175.8 | 0 | 109 | T48 | T48-K50 PolarHBondContact O-N 3.01Š| ||
| 51 | E | 68.2 | Low | 67.3 | Low | 159 Ų | 159 | 120.2 Ų | 120.2 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | trans | -67 | 136.6 | 170.1 | -162.3 | 159.7 | -135.8 | 0 | 0 | 109.8 | I53 | E51-I53 HydrophobicContact CG-CG1 4.33Š| ||
| 52 | V | 54.5 | Low | 65.6 | Low | 117 Ų | 117 | 125.8 Ų | 125.8 | 71% | 0.709 | 67% | 0.668 | S | S | * | * | trans | -115.7 | 87.9 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | E54 | V52-E54 PolarHBondContact O-N 2.92Š| ||
| 53 | I | 55.7 | Low | 63.5 | Low | 135 Ų | 135 | 130 Ų | 130 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | trans | -76.9 | 100.9 | 175.3 | -55.7 | 175.1 | 0 | 0 | 0 | 107.7 | E51 V55 | E51-I53 HydrophobicContact CG-CG1 4.33Å; I53-V55 HydrophobicContact CG2-CG2 4.33Å; I53-V55 PolarHBondContact O-N 3.48Å | ||
| 54 | E | 43.5 | Very low | 62 | Low | 183 Ų | 183 | 126.7 Ų | 126.7 | 86% | 0.855 | 68% | 0.682 | S | S | * | * | trans | -81.6 | 102.8 | 177.2 | -170.1 | 155.6 | -126.4 | 0 | 0 | 109.8 | V52 G56 | V52-E54 PolarHBondContact O-N 2.92Å; E54-G56 VanDerWaalsContact C-N 3.29Å; E54-G56 PolarHBondContact O-N 3.32Å | ||
| 55 | V | 45 | Very low | 60.4 | Low | 121 Ų | 121 | 133.1 Ų | 133.1 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | trans | -77.4 | 79.8 | -175.4 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | I53 K57 | I53-V55 HydrophobicContact CG2-CG2 4.33Å; I53-V55 PolarHBondContact O-N 3.48Å; V55-K57 PolarHBondContact O-N 2.95Å; V55-K57 VanDerWaalsContact O-N 3.14Å | ||
| 56 | G | 44.2 | Very low | 58.6 | Low | 58 Ų | 58 | 134 Ų | 134 | 60% | 0.598 | 71% | 0.713 | S | S | * | * | trans | -67 | 102 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E54 N58 | E54-G56 VanDerWaalsContact C-N 3.29Å; E54-G56 PolarHBondContact O-N 3.32Å; G56-N58 PolarHBondContact O-N 3.44Å | ||
| 57 | K | 42.6 | Very low | 56.9 | Low | 182 Ų | 182 | 135.5 Ų | 135.5 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | -70.3 | 120.2 | 166.9 | -68 | -174 | 176.3 | -170.2 | 0 | 109.5 | V55 | V55-K57 PolarHBondContact O-N 2.95Å; V55-K57 VanDerWaalsContact O-N 3.14Å | ||
| 58 | N | 37 | Very low | 55 | Low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -125.6 | 117.9 | 162.8 | -62 | -81.9 | 0 | 0 | 0 | 105.9 | G56 | G56-N58 PolarHBondContact O-N 3.44Š| ||
| 59 | D | 45.3 | Very low | 53.4 | Low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | -85.2 | 146.7 | 174.8 | -60.2 | -58 | 0 | 0 | 0 | 109.2 | ||||
| 60 | D | 47.8 | Very low | 52.6 | Low | 160 Ų | 160 | 145 Ų | 145 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -64.7 | 142.1 | -168 | -58.6 | -73.2 | 0 | 0 | 0 | 114.9 | ||||
| 61 | L | 54.8 | Low | 51.6 | Low | 175 Ų | 175 | 142.8 Ų | 142.8 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -152 | 115.6 | 145.3 | -136.3 | 149.1 | 0 | 0 | 0 | 111.4 | ||||
| 62 | E | 56.2 | Low | 51.1 | Low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -79.9 | 173.6 | -179 | -98.4 | -73.8 | 173.4 | 0 | 0 | 113.7 | ||||
| 63 | D | 48.7 | Very low | 51.5 | Low | 128 Ų | 128 | 141.8 Ų | 141.8 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | trans | 68.1 | 106.6 | 176.9 | -166.1 | 19.5 | 0 | 0 | 0 | 118.4 | K65 | D63-K65 PolarHBondContact OD1-N 3.15Š| ||
| 64 | S | 56 | Low | 51.5 | Low | 109 Ų | 109 | 142.8 Ų | 142.8 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -155.1 | 71.2 | 145.1 | -81.1 | 0 | 0 | 0 | 0 | 110 | S66 | S64-S66 PolarHBondContact O-N 2.78Å; S64-S66 PolarHBondContact O-OG 3.04Å | ||
| 65 | K | 55.8 | Low | 51.7 | Low | 182 Ų | 182 | 140.5 Ų | 140.5 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -53.7 | 96.4 | 179.2 | -176.5 | -179.6 | -179.8 | 176 | 0 | 112.6 | D63 | D63-K65 PolarHBondContact OD1-N 3.15Š| ||
| 66 | S | 52.4 | Low | 52 | Low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -102.4 | 110.2 | -177.1 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | S64 S68 | S64-S66 PolarHBondContact O-N 2.78Å; S64-S66 PolarHBondContact O-OG 3.04Å; S66-S68 PolarHBondContact O-N 2.87Å | ||
| 67 | L | 52.8 | Low | 52.7 | Low | 155 Ų | 155 | 141.1 Ų | 141.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -77.4 | 109.5 | 173.8 | -67.7 | 166.9 | 0 | 0 | 0 | 109.4 | D69 | L67-D69 PolarHBondContact O-N 3.26Š| ||
| 68 | S | 47 | Very low | 53.4 | Low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -85.6 | 94 | 164.6 | 56.7 | 0 | 0 | 0 | 0 | 109 | S66 | S66-S68 PolarHBondContact O-N 2.87Š| ||
| 69 | D | 56.1 | Low | 54.9 | Low | 163 Ų | 163 | 137.9 Ų | 137.9 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -70.1 | 150 | 172 | -120.1 | -24.8 | 0 | 0 | 0 | 111 | L67 | L67-D69 PolarHBondContact O-N 3.26Š| ||
| 70 | D | 60.8 | Low | 56.8 | Low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -80.5 | 124.1 | -174.4 | 172.7 | 22.6 | 0 | 0 | 0 | 112.5 | D72 | D70-D72 PolarHBondContact OD1-N 2.96Š| ||
| 71 | T | 59.1 | Low | 58.8 | Low | 132 Ų | 132 | 127.8 Ų | 127.8 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | trans | -143.6 | 91.4 | 143.2 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | V73 | T71-V73 PolarHBondContact O-N 2.96Å; T71-V73 VanDerWaalsContact O-N 3.07Å | ||
| 72 | D | 58.9 | Low | 60.6 | Low | 137 Ų | 137 | 123.7 Ų | 123.7 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | trans | -62.6 | 106.6 | 165.1 | -159.5 | -7 | 0 | 0 | 0 | 109.7 | D70 E74 | D70-D72 PolarHBondContact OD1-N 2.96Å; D72-E74 PolarHBondContact O-N 3.17Å; D72-E74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | V | 62.2 | Low | 62.3 | Low | 118 Ų | 118 | 115.5 Ų | 115.5 | 72% | 0.715 | 64% | 0.643 | S | S | * | * | trans | -86.8 | 86.7 | -179.9 | 66.7 | 0 | 0 | 0 | 0 | 109.1 | T71 V75 | T71-V73 PolarHBondContact O-N 2.96Å; T71-V73 VanDerWaalsContact O-N 3.07Å; V73-V75 PolarHBondContact O-N 2.93Å | ||
| 74 | E | 55.2 | Low | 64.4 | Low | 155 Ų | 155 | 111.8 Ų | 111.8 | 72% | 0.724 | 63% | 0.625 | S | S | * | * | trans | -37.9 | 106.5 | 167.6 | -80.7 | -73.1 | 176.1 | 0 | 0 | 110.3 | D72 T76 | D72-E74 PolarHBondContact O-N 3.17Å; D72-E74 VanDerWaalsContact O-N 3.15Å; E74-T76 VanDerWaalsContact C-N 3.29Å; E74-T76 PolarHBondContact O-N 2.98Å | ||
| 75 | V | 48.8 | Very low | 66.1 | Low | 135 Ų | 135 | 112 Ų | 112 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | trans | -72.7 | 92.1 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 106.7 | V73 S77 | V73-V75 PolarHBondContact O-N 2.93Å; V75-S77 PolarHBondContact O-N 3.42Å | ||
| 76 | T | 50.5 | Low | 67.9 | Low | 85 Ų | 85 | 105.7 Ų | 105.7 | 52% | 0.521 | 59% | 0.592 | S | S | . | * | trans | -54.9 | 132.5 | -179.2 | 66.9 | 0 | 0 | 0 | 0 | 109.5 | E74 E78 | E74-T76 VanDerWaalsContact C-N 3.29Å; E74-T76 PolarHBondContact O-N 2.98Å; T76-E78 WeakPolarHBondContact CB-OE2 3.43Å; T76-E78 PolarHBondContact O-N 3.36Å; T76-E78 PolarHBondContact OG1-OE2 3.16Å | ||
| 77 | S | 58.4 | Low | 69.8 | Low | 107 Ų | 107 | 106.4 Ų | 106.4 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -75.1 | 24.1 | -173.8 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | V75 | V75-S77 PolarHBondContact O-N 3.42Š|
| 78 | E | 58.5 | Low | 71.7 | Confident | 158 Ų | 158 | 103 Ų | 103 | 74% | 0.738 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -88.6 | -18.2 | -160.9 | -65.4 | 173.6 | 143.9 | 0 | 0 | 114.1 | T76 | T76-E78 WeakPolarHBondContact CB-OE2 3.43Å; T76-E78 PolarHBondContact O-N 3.36Å; T76-E78 PolarHBondContact OG1-OE2 3.16Å |
| 79 | D | 67.5 | Low | 73.9 | Confident | 105 Ų | 105 | 101.8 Ų | 101.8 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -96.3 | 8.7 | -179.9 | -160.5 | 15.8 | 0 | 0 | 0 | 113 | W81 P92 | D79-W81 PolarHBondContact O-N 3.21Å; D79-P92 HydrophobicContact CB-CB 4.25Å; D79-P92 HydrophobicContact CB-CG 3.89Å; D79-P92 VanDerWaalsContact CG-CG 3.48Å; D79-P92 VanDerWaalsContact O-CB 3.3Å; D79-P92 WeakPolarHBondContact O-CB 3.23Å; D79-P92 VanDerWaalsContact O-CD 3.26Å; D79-P92 WeakPolarHBondContact O-CD 3.36Å; D79-P92 WeakPolarHBondContact O-CG 3.37Å; D79-P92 WeakPolarHBondContact OD2-CB 3.44Å; D79-P92 WeakPolarHBondContact OD2-CG 3.36Å |
| 80 | E | 86.4 | Confident | 75.4 | Confident | 86 Ų | 86 | 94.1 Ų | 94.1 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 126.8 | 172.9 | -71 | -139.6 | 117.6 | 0 | 0 | 112.4 | F89 N90 | E80-F89 HydrophobicContact CB-CB 4.14Å; E80-F89 HydrophobicContact CB-CD1 4.26Å; E80-F89 WeakPolarHBondContact OE2-CB 3.25Å; E80-N90 CarbonylContact C-O 3.57Å; E80-N90 WeakPolarHBondContact CA-O 3.41Å |
| 81 | W | 89 | Confident | 76.8 | Confident | 17 Ų | 17 | 90.1 Ų | 90.1 | 6% | 0.064 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130 | 177 | 70.2 | -84.1 | 0 | 0 | 0 | 112.6 | D79 C83 F89 N90 S91 K94 C97 R104 | D79-W81 PolarHBondContact O-N 3.21Å; W81-C83 HydrophobicContact CZ3-CB 4.26Å; W81-F89 CarbonylContact O-C 3.59Å; W81-F89 WeakPolarHBondContact O-CA 3.05Å; W81-N90 HydrophobicContact CD2-CB 4.3Å; W81-N90 HydrophobicContact CZ2-CB 4.01Å; W81-N90 PolarHBondContact N-O 3.47Å; W81-N90 PolarHBondContact O-N 3.35Å; W81-N90 PolarHBondContact O-ND2 3.23Å; W81-S91 PolarHBondContact NE1-O 3.36Å; W81-S91 VanDerWaalsContact NE1-O 3.12Å; W81-K94 WeakPolarHBondContact CZ2-O 3.47Å; W81-K94 PolarHBondContact NE1-O 3.1Å; W81-C97 HydrophobicContact CH2-CB 4.11Å; W81-R104 HydrophobicContact CD2-CB 4.02Å; W81-R104 HydrophobicContact CD2-CG 3.77Å; W81-R104 HydrophobicContact CE3-CB 3.83Å; W81-R104 HydrophobicContact CE3-CG 3.67Å; W81-R104 HydrophobicContact CG-CG 4.27Å; W81-R104 HydrophobicContact CH2-CB 3.66Å; W81-R104 HydrophobicContact CH2-CG 4.43Å; W81-R104 HydrophobicContact CZ2-CB 3.84Å; W81-R104 HydrophobicContact CZ3-CB 3.64Å; W81-R104 HydrophobicContact CZ3-CG 4.01Å |
| 82 | Q | 92.8 | Very high | 78 | Confident | 90 Ų | 90 | 85.7 Ų | 85.7 | 42% | 0.421 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 127.6 | 177.7 | -155.1 | -173.3 | 55.6 | 0 | 0 | 111.6 | T84 K87 F89 | Q82-T84 PolarHBondContact O-N 3.42Å; Q82-K87 WeakPolarHBondContact CG-O 3.32Å; Q82-K87 PolarHBondContact NE2-O 3.44Å; Q82-F89 HydrophobicContact CB-CD1 3.98Å; Q82-F89 HydrophobicContact CB-CE1 3.87Å; Q82-F89 HydrophobicContact CB-CZ 4.38Å; Q82-F89 HydrophobicContact CG-CD1 4.2Å; Q82-F89 HydrophobicContact CG-CD2 4.44Å; Q82-F89 HydrophobicContact CG-CE1 4.05Å; Q82-F89 HydrophobicContact CG-CE2 4.29Å; Q82-F89 HydrophobicContact CG-CG 4.4Å; Q82-F89 HydrophobicContact CG-CZ 4.09Å |
| 83 | C | 92.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 127.6 | 172.8 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | W81 E85 K87 K88 C97 | W81-C83 HydrophobicContact CZ3-CB 4.26Å; C83-E85 VanDerWaalsContact C-N 3.26Å; C83-E85 PolarHBondContact O-N 2.73Å; C83-E85 PolarHBondContact SG-N 2.93Å; C83-K87 WeakPolarHBondContact O-CA 3.29Å; C83-K87 PolarHBondContact O-N 3.19Å; C83-K88 WeakPolarHBondContact CB-O 3.39Å; C83-K88 PolarHBondContact N-O 3.06Å; C83-C97 HydrophobicContact CB-CB 3.71Å; C83-C97 VanDerWaalsContact CB-SG 3.58Å; C83-C97 VanDerWaalsContact SG-CB 3.54Å |
| 84 | T | 91.4 | Very high | 80.3 | Confident | 49 Ų | 49 | 82.8 Ų | 82.8 | 30% | 0.301 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -30.1 | -178.8 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | Q82 K87 K105 | Q82-T84 PolarHBondContact O-N 3.42Å; T84-K87 PolarHBondContact O-NZ 2.86Å; T84-K105 HydrophobicContact CG2-CD 3.97Å; T84-K105 HydrophobicContact CG2-CG 4.35Å; T84-K105 WeakPolarHBondContact OG1-CE 3.49Å; T84-K105 PolarHBondContact OG1-NZ 3.07Å; T84-K105 VanDerWaalsContact OG1-NZ 3.1Å |
| 85 | E | 92.8 | Very high | 81.9 | Confident | 115 Ų | 115 | 82.7 Ų | 82.7 | 54% | 0.537 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -47.5 | -174.2 | -46.8 | -49 | 116.3 | 0 | 0 | 112.5 | C83 A102 K105 | C83-E85 VanDerWaalsContact C-N 3.26Å; C83-E85 PolarHBondContact O-N 2.73Å; C83-E85 PolarHBondContact SG-N 2.93Å; E85-A102 HydrophobicContact CB-CB 4.2Å; E85-A102 HydrophobicContact CG-CB 3.6Å; E85-K105 WeakPolarHBondContact OE1-CE 3.31Å; E85-K105 IonicContact OE1-NZ 2.81Å; E85-K105 PolarHBondContact OE1-NZ 3.31Å |
| 86 | C | 93 | Very high | 84 | Confident | 49 Ų | 49 | 80.5 Ų | 80.5 | 33% | 0.331 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 7.4 | -176 | 78 | 0 | 0 | 0 | 0 | 115.1 | K88 C97 C100 | C86-K88 PolarHBondContact O-N 2.94Å; C86-C97 PolarHBondContact SG-SG 2.85Å; C86-C100 HydrophobicContact CB-CB 4.19Å; C86-C100 PolarHBondContact SG-SG 2.66Å |
| 87 | K | 92.1 | Very high | 86 | Confident | 121 Ų | 121 | 76.5 Ų | 76.5 | 53% | 0.526 | 38% | 0.384 | S | S | . | . | trans | 56.3 | 3.2 | 178.1 | -50.9 | -50.6 | -173.8 | -164 | 0 | 117.1 | Q82 C83 T84 F89 | Q82-K87 WeakPolarHBondContact CG-O 3.32Å; Q82-K87 PolarHBondContact NE2-O 3.44Å; C83-K87 WeakPolarHBondContact O-CA 3.29Å; C83-K87 PolarHBondContact O-N 3.19Å; T84-K87 PolarHBondContact O-NZ 2.86Å; K87-F89 PolarHBondContact O-N 3.13Å | ||
| 88 | K | 92.4 | Very high | 87.6 | Confident | 85 Ų | 85 | 76.5 Ų | 76.5 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | trans | -68.5 | 129.5 | 172 | -179.2 | 61.7 | -131.7 | -173.4 | 0 | 109.9 | C83 C86 N90 F98 R99 | C83-K88 WeakPolarHBondContact CB-O 3.39Å; C83-K88 PolarHBondContact N-O 3.06Å; C86-K88 PolarHBondContact O-N 2.94Å; K88-N90 PolarHBondContact O-ND2 3.05Å; K88-F98 HydrophobicContact CD-CE1 4.13Å; K88-F98 HydrophobicContact CD-CZ 3.83Å; K88-F98 HydrophobicContact CG-CE1 3.77Å; K88-F98 HydrophobicContact CG-CZ 3.78Å; K88-R99 HydrophobicContact CB-CB 4.25Å; K88-R99 HydrophobicContact CG-CB 4.2Å | ||
| 89 | F | 92.6 | Very high | 89.2 | Confident | 95 Ų | 95 | 77.3 Ų | 77.3 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 144.4 | 167.8 | -66.5 | -88.5 | 0 | 0 | 0 | 111.6 | E80 W81 Q82 K87 F98 | E80-F89 HydrophobicContact CB-CB 4.14Å; E80-F89 HydrophobicContact CB-CD1 4.26Å; E80-F89 WeakPolarHBondContact OE2-CB 3.25Å; W81-F89 CarbonylContact O-C 3.59Å; W81-F89 WeakPolarHBondContact O-CA 3.05Å; Q82-F89 HydrophobicContact CB-CD1 3.98Å; Q82-F89 HydrophobicContact CB-CE1 3.87Å; Q82-F89 HydrophobicContact CB-CZ 4.38Å; Q82-F89 HydrophobicContact CG-CD1 4.2Å; Q82-F89 HydrophobicContact CG-CD2 4.44Å; Q82-F89 HydrophobicContact CG-CE1 4.05Å; Q82-F89 HydrophobicContact CG-CE2 4.29Å; Q82-F89 HydrophobicContact CG-CG 4.4Å; Q82-F89 HydrophobicContact CG-CZ 4.09Å; K87-F89 PolarHBondContact O-N 3.13Å; F89-F98 WeakPolarHBondContact O-CE1 3.46Å |
| 90 | N | 89.4 | Confident | 90.5 | Very high | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.7 | -174.7 | -42.1 | -96.2 | 0 | 0 | 0 | 109.7 | E80 W81 K88 C97 F98 | E80-N90 CarbonylContact C-O 3.57Å; E80-N90 WeakPolarHBondContact CA-O 3.41Å; W81-N90 HydrophobicContact CD2-CB 4.3Å; W81-N90 HydrophobicContact CZ2-CB 4.01Å; W81-N90 PolarHBondContact N-O 3.47Å; W81-N90 PolarHBondContact O-N 3.35Å; W81-N90 PolarHBondContact O-ND2 3.23Å; K88-N90 PolarHBondContact O-ND2 3.05Å; N90-C97 VanDerWaalsContact OD1-CA 3.26Å; N90-C97 WeakPolarHBondContact OD1-CA 3.2Å; N90-C97 PolarHBondContact OD1-SG 3.15Å; N90-F98 HydrophobicContact CB-CD1 4.34Å; N90-F98 VanDerWaalsContact OD1-CD1 3.29Å; N90-F98 WeakPolarHBondContact OD1-CD1 3.48Å; N90-F98 PolarHBondContact OD1-N 3.5Å; N90-F98 VanDerWaalsContact OD1-N 3.1Å |
| 91 | S | 88.7 | Confident | 90.8 | Very high | 53 Ų | 53 | 79.2 Ų | 79.2 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | trans | -60.2 | 141.7 | 178.9 | -36.4 | 0 | 0 | 0 | 0 | 112.3 | W81 S93 K94 | W81-S91 PolarHBondContact NE1-O 3.36Å; W81-S91 VanDerWaalsContact NE1-O 3.12Å; S91-S93 PolarHBondContact O-N 3.48Å; S91-K94 PolarHBondContact O-N 3.17Å | ||
| 92 | P | 85.6 | Confident | 91 | Very high | 38 Ų | 38 | 79.6 Ų | 79.6 | 25% | 0.247 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.9 | -177.6 | 23.9 | -34.7 | 0 | 0 | 0 | 113.1 | D79 K94 | D79-P92 HydrophobicContact CB-CB 4.25Å; D79-P92 HydrophobicContact CB-CG 3.89Å; D79-P92 VanDerWaalsContact CG-CG 3.48Å; D79-P92 VanDerWaalsContact O-CB 3.3Å; D79-P92 WeakPolarHBondContact O-CB 3.23Å; D79-P92 VanDerWaalsContact O-CD 3.26Å; D79-P92 WeakPolarHBondContact O-CD 3.36Å; D79-P92 WeakPolarHBondContact O-CG 3.37Å; D79-P92 WeakPolarHBondContact OD2-CB 3.44Å; D79-P92 WeakPolarHBondContact OD2-CG 3.36Å; P92-K94 PolarHBondContact O-N 3.24Å |
| 93 | S | 83.8 | Confident | 90.9 | Very high | 91 Ų | 91 | 81.4 Ų | 81.4 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -8.9 | 177.3 | 61.6 | 0 | 0 | 0 | 0 | 114.6 | S91 | S91-S93 PolarHBondContact O-N 3.48Š|
| 94 | K | 84.9 | Confident | 90.8 | Very high | 104 Ų | 104 | 85 Ų | 85 | 45% | 0.452 | 40% | 0.402 | S | S | . | . | trans | -110.4 | 129.8 | -178.5 | -51.6 | -60.2 | 179.6 | 177.1 | 0 | 110.8 | W81 S91 P92 | W81-K94 WeakPolarHBondContact CZ2-O 3.47Å; W81-K94 PolarHBondContact NE1-O 3.1Å; S91-K94 PolarHBondContact O-N 3.17Å; P92-K94 PolarHBondContact O-N 3.24Å | ||
| 95 | R | 88.8 | Confident | 90.2 | Very high | 152 Ų | 152 | 88.4 Ų | 88.4 | 57% | 0.574 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -86 | -13.2 | -177 | -59.2 | -179.1 | -178.5 | 140.4 | 3.4 | 114.4 | L103 R104 W107 | R95-L103 WeakPolarHBondContact O-CA 3.12Å; R95-R104 PolarHBondContact O-N 2.86Å; R95-W107 VanDerWaalsContact CD-NE1 3.3Å; R95-W107 HydrophobicContact CG-CD2 4.15Å; R95-W107 HydrophobicContact CG-CG 4.42Å; R95-W107 HydrophobicContact CG-CZ2 4.02Å |
| 96 | Y | 92.4 | Very high | 89.1 | Confident | 90 Ų | 90 | 89.1 Ų | 89.1 | 35% | 0.353 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -126.9 | 148.7 | -178.7 | 58.1 | -89.9 | 0 | 0 | 0 | 109 | F98 W101 A102 | Y96-F98 PolarHBondContact O-N 3.45Å; Y96-W101 HydrophobicContact CD2-CD2 4.09Å; Y96-W101 AromaticContact CD2-CE3 3.47Å; Y96-W101 HydrophobicContact CD2-CE3 3.47Å; Y96-W101 VanDerWaalsContact CD2-CE3 3.47Å; Y96-W101 AromaticContact CD2-CZ3 3.8Å; Y96-W101 HydrophobicContact CD2-CZ3 3.8Å; Y96-W101 HydrophobicContact CE2-CD2 4.26Å; Y96-W101 AromaticContact CE2-CE3 3.53Å; Y96-W101 HydrophobicContact CE2-CE3 3.53Å; Y96-W101 AromaticContact CE2-CH2 3.91Å; Y96-W101 HydrophobicContact CE2-CH2 3.91Å; Y96-W101 AromaticContact CE2-CZ3 3.33Å; Y96-W101 HydrophobicContact CE2-CZ3 3.33Å; Y96-W101 HydrophobicContact CG-CE3 4.16Å; Y96-W101 AromaticContact CZ-CZ3 3.74Å; Y96-A102 CarbonylContact C-O 3.55Å; Y96-A102 WeakPolarHBondContact CA-O 3.15Å |
| 97 | C | 93.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 92.3 Ų | 92.3 | 0% | 0 | 43% | 0.425 | C | S | . | . | trans | -68.6 | 130.4 | 176.4 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | W81 C83 C86 N90 R99 W101 A102 | W81-C97 HydrophobicContact CH2-CB 4.11Å; C83-C97 HydrophobicContact CB-CB 3.71Å; C83-C97 VanDerWaalsContact CB-SG 3.58Å; C83-C97 VanDerWaalsContact SG-CB 3.54Å; C86-C97 PolarHBondContact SG-SG 2.85Å; N90-C97 VanDerWaalsContact OD1-CA 3.26Å; N90-C97 WeakPolarHBondContact OD1-CA 3.2Å; N90-C97 PolarHBondContact OD1-SG 3.15Å; C97-R99 PolarHBondContact O-N 2.75Å; C97-R99 PolarHBondContact SG-N 2.86Å; C97-R99 VanDerWaalsContact SG-N 3.39Å; C97-W101 WeakPolarHBondContact O-CA 3.3Å; C97-W101 PolarHBondContact O-N 2.96Å; C97-A102 PolarHBondContact N-O 3.47Å | ||
| 98 | F | 91.3 | Very high | 86.3 | Confident | 107 Ų | 107 | 95.3 Ų | 95.3 | 47% | 0.469 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18 | -178.3 | 76.4 | -98.9 | 0 | 0 | 0 | 113.3 | K88 F89 N90 Y96 | K88-F98 HydrophobicContact CD-CE1 4.13Å; K88-F98 HydrophobicContact CD-CZ 3.83Å; K88-F98 HydrophobicContact CG-CE1 3.77Å; K88-F98 HydrophobicContact CG-CZ 3.78Å; F89-F98 WeakPolarHBondContact O-CE1 3.46Å; N90-F98 HydrophobicContact CB-CD1 4.34Å; N90-F98 VanDerWaalsContact OD1-CD1 3.29Å; N90-F98 WeakPolarHBondContact OD1-CD1 3.48Å; N90-F98 PolarHBondContact OD1-N 3.5Å; N90-F98 VanDerWaalsContact OD1-N 3.1Å; Y96-F98 PolarHBondContact O-N 3.45Å |
| 99 | R | 93.1 | Very high | 84.6 | Confident | 176 Ų | 176 | 94.7 Ų | 94.7 | 66% | 0.664 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -39.5 | -179.8 | -180 | 65 | 78 | -156.9 | 6.3 | 113.4 | K88 C97 | K88-R99 HydrophobicContact CB-CB 4.25Å; K88-R99 HydrophobicContact CG-CB 4.2Å; C97-R99 PolarHBondContact O-N 2.75Å; C97-R99 PolarHBondContact SG-N 2.86Å; C97-R99 VanDerWaalsContact SG-N 3.39Å |
| 100 | C | 94 | Very high | 82.6 | Confident | 52 Ų | 52 | 98 Ų | 98 | 35% | 0.351 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 3.6 | -173.6 | 68.7 | 0 | 0 | 0 | 0 | 114.9 | C86 A102 | C86-C100 HydrophobicContact CB-CB 4.19Å; C86-C100 PolarHBondContact SG-SG 2.66Å; C100-A102 PolarHBondContact O-N 3.15Å |
| 101 | W | 93.6 | Very high | 80.5 | Confident | 179 Ų | 179 | 102 Ų | 102 | 68% | 0.678 | 49% | 0.49 | S | S | * | . | trans | 60.6 | 1.1 | 179.8 | -59.7 | 81.3 | 0 | 0 | 0 | 116.5 | Y96 C97 L103 | Y96-W101 HydrophobicContact CD2-CD2 4.09Å; Y96-W101 AromaticContact CD2-CE3 3.47Å; Y96-W101 HydrophobicContact CD2-CE3 3.47Å; Y96-W101 VanDerWaalsContact CD2-CE3 3.47Å; Y96-W101 AromaticContact CD2-CZ3 3.8Å; Y96-W101 HydrophobicContact CD2-CZ3 3.8Å; Y96-W101 HydrophobicContact CE2-CD2 4.26Å; Y96-W101 AromaticContact CE2-CE3 3.53Å; Y96-W101 HydrophobicContact CE2-CE3 3.53Å; Y96-W101 AromaticContact CE2-CH2 3.91Å; Y96-W101 HydrophobicContact CE2-CH2 3.91Å; Y96-W101 AromaticContact CE2-CZ3 3.33Å; Y96-W101 HydrophobicContact CE2-CZ3 3.33Å; Y96-W101 HydrophobicContact CG-CE3 4.16Å; Y96-W101 AromaticContact CZ-CZ3 3.74Å; C97-W101 WeakPolarHBondContact O-CA 3.3Å; C97-W101 PolarHBondContact O-N 2.96Å; W101-L103 PolarHBondContact O-N 2.85Å | ||
| 102 | A | 92.8 | Very high | 78.8 | Confident | 25 Ų | 25 | 104.3 Ų | 104.3 | 21% | 0.207 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 136 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E85 Y96 C97 C100 | E85-A102 HydrophobicContact CB-CB 4.2Å; E85-A102 HydrophobicContact CG-CB 3.6Å; Y96-A102 CarbonylContact C-O 3.55Å; Y96-A102 WeakPolarHBondContact CA-O 3.15Å; C97-A102 PolarHBondContact N-O 3.47Å; C100-A102 PolarHBondContact O-N 3.15Å |
| 103 | L | 90.5 | Very high | 77.1 | Confident | 127 Ų | 127 | 112.1 Ų | 112.1 | 67% | 0.665 | 54% | 0.536 | S | S | * | . | B | Isolated β-bridge | trans | -68.9 | 147.6 | -179.5 | -68.9 | 168.7 | 0 | 0 | 0 | 112.1 | R95 W101 K105 | R95-L103 WeakPolarHBondContact O-CA 3.12Å; W101-L103 PolarHBondContact O-N 2.85Å; L103-K105 PolarHBondContact O-N 3.13Å |
| 104 | R | 89.5 | Confident | 75.1 | Confident | 76 Ų | 76 | 114.4 Ų | 114.4 | 29% | 0.287 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 119.9 | 168 | -175.4 | 171.7 | 177.8 | 165 | 2.2 | 108.7 | W81 R95 W107 | W81-R104 HydrophobicContact CD2-CB 4.02Å; W81-R104 HydrophobicContact CD2-CG 3.77Å; W81-R104 HydrophobicContact CE3-CB 3.83Å; W81-R104 HydrophobicContact CE3-CG 3.67Å; W81-R104 HydrophobicContact CG-CG 4.27Å; W81-R104 HydrophobicContact CH2-CB 3.66Å; W81-R104 HydrophobicContact CH2-CG 4.43Å; W81-R104 HydrophobicContact CZ2-CB 3.84Å; W81-R104 HydrophobicContact CZ3-CB 3.64Å; W81-R104 HydrophobicContact CZ3-CG 4.01Å; R95-R104 PolarHBondContact O-N 2.86Å; R104-W107 HydrophobicContact CB-CB 4.14Å; R104-W107 HydrophobicContact CG-CB 4.36Å; R104-W107 WeakPolarHBondContact O-CB 3.32Å |
| 105 | K | 79.7 | Confident | 73.4 | Confident | 121 Ų | 121 | 115.8 Ų | 115.8 | 53% | 0.526 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | 147.6 | 174 | -66.1 | -173.3 | -174.7 | 157.6 | 0 | 109.6 | T84 E85 L103 W107 | T84-K105 HydrophobicContact CG2-CD 3.97Å; T84-K105 HydrophobicContact CG2-CG 4.35Å; T84-K105 WeakPolarHBondContact OG1-CE 3.49Å; T84-K105 PolarHBondContact OG1-NZ 3.07Å; T84-K105 VanDerWaalsContact OG1-NZ 3.1Å; E85-K105 WeakPolarHBondContact OE1-CE 3.31Å; E85-K105 IonicContact OE1-NZ 2.81Å; E85-K105 PolarHBondContact OE1-NZ 3.31Å; L103-K105 PolarHBondContact O-N 3.13Å; K105-W107 PolarHBondContact O-N 3.38Å |
| 106 | D | 68.9 | Low | 71.4 | Confident | 129 Ų | 129 | 116.3 Ų | 116.3 | 69% | 0.69 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.3 | 1.9 | -179.9 | -56.2 | -73.9 | 0 | 0 | 0 | 117.3 | Y108 S109 | D106-Y108 PolarHBondContact O-N 2.95Å; D106-Y108 VanDerWaalsContact O-N 3.08Å; D106-S109 WeakPolarHBondContact CA-OG 3.35Å; D106-S109 PolarHBondContact O-N 3.26Å; D106-S109 PolarHBondContact OD1-OG 3.46Å |
| 107 | W | 67.4 | Low | 69.3 | Low | 116 Ų | 116 | 117.5 Ų | 117.5 | 44% | 0.439 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | -16.7 | 169 | -176.8 | -85.1 | 0 | 0 | 0 | 113.5 | R95 R104 K105 | R95-W107 VanDerWaalsContact CD-NE1 3.3Å; R95-W107 HydrophobicContact CG-CD2 4.15Å; R95-W107 HydrophobicContact CG-CG 4.42Å; R95-W107 HydrophobicContact CG-CZ2 4.02Å; R104-W107 HydrophobicContact CB-CB 4.14Å; R104-W107 HydrophobicContact CG-CB 4.36Å; R104-W107 WeakPolarHBondContact O-CB 3.32Å; K105-W107 PolarHBondContact O-N 3.38Å |
| 108 | Y | 59.9 | Low | 67.2 | Low | 184 Ų | 184 | 124.6 Ų | 124.6 | 72% | 0.722 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 22.8 | -179.4 | -139.6 | -92.8 | 0 | 0 | 0 | 113.3 | D106 C111 | D106-Y108 PolarHBondContact O-N 2.95Å; D106-Y108 VanDerWaalsContact O-N 3.08Å; Y108-C111 HydrophobicContact CE1-CB 4.05Å |
| 109 | S | 57.4 | Low | 65.2 | Low | 72 Ų | 72 | 124.7 Ų | 124.7 | 50% | 0.503 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | 137.1 | 169 | -64.4 | 0 | 0 | 0 | 0 | 108.9 | D106 | D106-S109 WeakPolarHBondContact CA-OG 3.35Å; D106-S109 PolarHBondContact O-N 3.26Å; D106-S109 PolarHBondContact OD1-OG 3.46Å |
| 110 | D | 50.2 | Low | 63 | Low | 164 Ų | 164 | 121.4 Ų | 121.4 | 88% | 0.877 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.2 | 47 | -175.7 | -62.6 | -20.6 | 0 | 0 | 0 | 118.6 | S112 | D110-S112 PolarHBondContact O-N 3.27Š|
| 111 | C | 45.4 | Very low | 60.5 | Low | 85 Ų | 85 | 123.3 Ų | 123.3 | 57% | 0.574 | 65% | 0.653 | S | S | * | * | -75.8 | 99.3 | 127.4 | -87.1 | 0 | 0 | 0 | 0 | 108.7 | Y108 K113 | Y108-C111 HydrophobicContact CE1-CB 4.05Å; C111-K113 PolarHBondContact O-N 2.95Å | |||
| 112 | S | 51.7 | Low | 58.4 | Low | 103 Ų | 103 | 122.9 Ų | 122.9 | 72% | 0.72 | 66% | 0.664 | S | S | * | * | trans | -55.1 | 136.1 | 169.9 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | D110 L114 | D110-S112 PolarHBondContact O-N 3.27Å; S112-L114 PolarHBondContact O-N 2.97Å | ||
| 113 | K | 51.4 | Low | 56.3 | Low | 201 Ų | 201 | 128.6 Ų | 128.6 | 87% | 0.874 | 69% | 0.69 | S | S | * | * | trans | -62.8 | 99.3 | -168.3 | -63.5 | 176.9 | -175.3 | 174.7 | 0 | 110.5 | C111 T115 | C111-K113 PolarHBondContact O-N 2.95Å; K113-T115 PolarHBondContact O-N 3.32Å; K113-T115 VanDerWaalsContact O-N 3.14Å | ||
| 114 | L | 41.5 | Very low | 54.1 | Low | 140 Ų | 140 | 128.6 Ų | 128.6 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | trans | -55.8 | 119.7 | 175.7 | -83.3 | 167.3 | 0 | 0 | 0 | 109.7 | S112 H116 | S112-L114 PolarHBondContact O-N 2.97Å; L114-H116 PolarHBondContact O-N 2.98Å | ||
| 115 | T | 48.7 | Very low | 51.6 | Low | 132 Ų | 132 | 129.8 Ų | 129.8 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 37.4 | -169.5 | 20.3 | 0 | 0 | 0 | 0 | 114 | K113 | K113-T115 PolarHBondContact O-N 3.32Å; K113-T115 VanDerWaalsContact O-N 3.14Å |
| 116 | H | 47 | Very low | 49.9 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 1 | -179.4 | -63.1 | -54 | 0 | 0 | 0 | 114 | L114 L118 | L114-H116 PolarHBondContact O-N 2.98Å; H116-L118 VanDerWaalsContact C-N 3.29Å; H116-L118 PolarHBondContact O-N 3.38Å |
| 117 | S | 48 | Very low | 48.8 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -82 | -1.2 | 174.2 | -57 | 0 | 0 | 0 | 0 | 114.3 | ||
| 118 | L | 48.6 | Very low | 47.8 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | -101.5 | 73.8 | 171.1 | -67.1 | -178.5 | 0 | 0 | 0 | 110.2 | H116 T120 | H116-L118 VanDerWaalsContact C-N 3.29Å; H116-L118 PolarHBondContact O-N 3.38Å; L118-T120 PolarHBondContact O-N 3.31Å; L118-T120 VanDerWaalsContact O-N 3.12Å | ||
| 119 | S | 49.1 | Very low | 46.8 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -81 | 56.5 | 160.7 | -178.1 | 0 | 0 | 0 | 0 | 110 | S121 | S119-S121 PolarHBondContact O-N 2.89Š| ||
| 120 | T | 46.9 | Very low | 46.5 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -70 | 112.7 | 163.8 | 43.1 | 0 | 0 | 0 | 0 | 107.8 | L118 D122 | L118-T120 PolarHBondContact O-N 3.31Å; L118-T120 VanDerWaalsContact O-N 3.12Å; T120-D122 PolarHBondContact O-N 3.29Å | ||
| 121 | S | 42.5 | Very low | 46.3 | Very low | 92 Ų | 92 | 140 Ų | 140 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | trans | -65 | 115.1 | -179.7 | -54 | 0 | 0 | 0 | 0 | 110.9 | S119 I123 | S119-S121 PolarHBondContact O-N 2.89Å; S121-I123 PolarHBondContact O-N 3.08Å | ||
| 122 | D | 50.1 | Low | 46.6 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -65 | 97.3 | 166.7 | -78.3 | -46.1 | 0 | 0 | 0 | 109.3 | T120 | T120-D122 PolarHBondContact O-N 3.29Š| ||
| 123 | I | 46.8 | Very low | 46.1 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -122.3 | 110.3 | 171.3 | -59.3 | 179.6 | 0 | 0 | 0 | 107.2 | S121 A125 | S121-I123 PolarHBondContact O-N 3.08Å; I123-A125 PolarHBondContact O-N 2.96Å | ||
| 124 | T | 44.9 | Very low | 45.7 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -58.8 | 128.9 | 176.2 | -37.4 | 0 | 0 | 0 | 0 | 109.9 | I126 | T124-I126 PolarHBondContact O-N 2.87Š| ||
| 125 | A | 38.2 | Very low | 46.4 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -61.6 | 121.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I123 | I123-A125 PolarHBondContact O-N 2.96Š| ||
| 126 | I | 43.8 | Very low | 46.7 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -108.4 | 133.3 | 167.1 | -61.3 | 177 | 0 | 0 | 0 | 106.7 | T124 | T124-I126 PolarHBondContact O-N 2.87Š| ||
| 127 | P | 46.1 | Very low | 47.5 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -60.3 | 152.9 | -176.5 | -25.9 | 35.5 | 0 | 0 | 0 | 114.4 | ||||
| 128 | E | 46.2 | Very low | 47.9 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -58.2 | 139.5 | -173.5 | -61.2 | 164.5 | 142.9 | 0 | 0 | 113.1 | ||||
| 129 | K | 39.1 | Very low | 47.9 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -137.1 | 113.1 | 153 | -74.8 | -161 | 173.7 | -171.1 | 0 | 109.9 | ||||
| 130 | E | 50.9 | Low | 48.1 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -55.3 | 135 | 168.7 | -54.1 | 169.2 | 141.1 | 0 | 0 | 110 | ||||
| 131 | N | 45.8 | Very low | 48 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -159.4 | 159.9 | 159.7 | -89.2 | -60 | 0 | 0 | 0 | 109 | ||||
| 132 | E | 50.4 | Low | 48.2 | Very low | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -54.6 | 137.9 | -158.6 | -68 | 160.7 | 109.1 | 0 | 0 | 116.3 | N134 | E132-N134 PolarHBondContact O-N 2.89Š| ||
| 133 | G | 43 | Very low | 48.3 | Very low | 79 Ų | 79 | 151.2 Ų | 151.2 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -71.9 | 120 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D135 | G133-D135 PolarHBondContact O-N 3.15Š| ||
| 134 | N | 41.3 | Very low | 48.2 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | -78.6 | 106 | 173.7 | -69.5 | -91.3 | 0 | 0 | 0 | 108.8 | E132 V136 | E132-N134 PolarHBondContact O-N 2.89Å; N134-V136 PolarHBondContact O-N 2.93Å | ||
| 135 | D | 56.3 | Low | 48.1 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -69.4 | 113.4 | -178.6 | -163.9 | 16.8 | 0 | 0 | 0 | 110.7 | G133 | G133-D135 PolarHBondContact O-N 3.15Š| ||
| 136 | V | 56.5 | Low | 48.5 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | trans | -83.8 | 122.6 | -175.7 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | N134 D138 | N134-V136 PolarHBondContact O-N 2.93Å; V136-D138 PolarHBondContact O-N 3.14Å | ||
| 137 | P | 63.4 | Low | 48.4 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | trans | -63.8 | 109.3 | -173 | 24.8 | -34.4 | 0 | 0 | 0 | 111.5 | C139 | P137-C139 PolarHBondContact O-N 3.38Š| ||
| 138 | D | 55.7 | Low | 48.2 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | -57.3 | 120.3 | -172.5 | -166.6 | 21.2 | 0 | 0 | 0 | 111.2 | V136 R140 | V136-D138 PolarHBondContact O-N 3.14Å; D138-R140 PolarHBondContact O-N 2.82Å; D138-R140 VanDerWaalsContact O-N 3.15Å | ||
| 139 | C | 48 | Very low | 48.1 | Very low | 109 Ų | 109 | 148 Ų | 148 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -65.2 | 118.1 | -171.7 | -69.5 | 0 | 0 | 0 | 0 | 110.3 | P137 R141 | P137-C139 PolarHBondContact O-N 3.38Å; C139-R141 PolarHBondContact O-N 3.34Å | ||
| 140 | R | 53.8 | Low | 48.3 | Very low | 247 Ų | 247 | 144.1 Ų | 144.1 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | trans | -50.1 | 104.5 | -175.4 | -69.8 | -173.2 | 175.1 | -147.6 | -1.6 | 112.2 | D138 T142 | D138-R140 PolarHBondContact O-N 2.82Å; D138-R140 VanDerWaalsContact O-N 3.15Å; R140-T142 PolarHBondContact O-N 2.8Å | ||
| 141 | R | 45.9 | Very low | 47.9 | Very low | 206 Ų | 206 | 144.9 Ų | 144.9 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -54.8 | 135 | 172.8 | -78.3 | -177.8 | 167.9 | 91.2 | -5 | 110.7 | C139 | C139-R141 PolarHBondContact O-N 3.34Š| ||
| 142 | T | 45.3 | Very low | 47.5 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -67.1 | 137.9 | 167.2 | 37.8 | 0 | 0 | 0 | 0 | 110.4 | R140 S144 | R140-T142 PolarHBondContact O-N 2.8Å; T142-S144 PolarHBondContact O-N 3.37Å | ||
| 143 | I | 53 | Low | 47.1 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -92.3 | 95 | -171.1 | -56 | 174.5 | 0 | 0 | 0 | 110 | ||
| 144 | S | 45 | Very low | 46.6 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -156.4 | 29.3 | 171 | 52.9 | 0 | 0 | 0 | 0 | 114.5 | T142 | T142-S144 PolarHBondContact O-N 3.37Š| ||
| 145 | A | 42.2 | Very low | 46.4 | Very low | 86 Ų | 86 | 147.6 Ų | 147.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -116 | 124.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V147 | A145-V147 PolarHBondContact O-N 3Š|
| 146 | P | 45.8 | Very low | 45.5 | Very low | 123 Ų | 123 | 149 Ų | 149 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -65.6 | 129.2 | 178 | -22.5 | 34.1 | 0 | 0 | 0 | 112.7 | V148 | P146-V148 PolarHBondContact O-N 3.31Å; P146-V148 VanDerWaalsContact O-N 3.1Å | ||
| 147 | V | 41.8 | Very low | 44.3 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -80.7 | 92 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | A145 R149 | A145-V147 PolarHBondContact O-N 3Å; V147-R149 HydrophobicContact CG1-CG 4.33Å; V147-R149 PolarHBondContact O-N 3.12Å | ||
| 148 | V | 42.8 | Very low | 42.7 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | -69.8 | 111.1 | 162.6 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | P146 P150 | P146-V148 PolarHBondContact O-N 3.31Å; P146-V148 VanDerWaalsContact O-N 3.1Å; V148-P150 WeakPolarHBondContact O-CD 3.29Å | ||
| 149 | R | 44.6 | Very low | 41.4 | Very low | 208 Ų | 208 | 155.1 Ų | 155.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -79.4 | 121.3 | 172.1 | -72.8 | -73.3 | -176.7 | 160.2 | -1.5 | 109.4 | V147 | V147-R149 HydrophobicContact CG1-CG 4.33Å; V147-R149 PolarHBondContact O-N 3.12Å | ||
| 150 | P | 42.2 | Very low | 40.7 | Very low | 114 Ų | 114 | 155.5 Ų | 155.5 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -60.2 | 151.2 | 158.3 | -16.8 | 31.6 | 0 | 0 | 0 | 109.5 | V148 | V148-P150 WeakPolarHBondContact O-CD 3.29Š| ||
| 151 | K | 44.1 | Very low | 39.9 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -140 | 123.7 | 171.5 | -165.7 | 171.9 | -175.1 | 178.3 | 0 | 108.5 | ||||
| 152 | D | 36.9 | Very low | 39.1 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -72.7 | 164.6 | -164.4 | -60.1 | -76.5 | 0 | 0 | 0 | 114.7 | ||||
| 153 | A | 40.6 | Very low | 38.4 | Very low | 98 Ų | 98 | 153 Ų | 153 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -78.4 | 162.1 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 154 | Y | 33.8 | Very low | 37.3 | Very low | 228 Ų | 228 | 152 Ų | 152 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -131.3 | 161.3 | 160.6 | -167.5 | -99.5 | 0 | 0 | 0 | 110.4 | ||||
| 155 | I | 37.8 | Very low | 37.5 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | trans | -113.6 | 143.2 | -151.5 | -75.3 | 178 | 0 | 0 | 0 | 114.7 | ||||
| 156 | K | 36.1 | Very low | 37 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 54 | 126.6 | 162.6 | -85.3 | -173.4 | 171.6 | -169.4 | 0 | 120.1 | ||||
| 157 | K | 30.8 | Very low | 36.3 | Very low | 212 Ų | 212 | 154.8 Ų | 154.8 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | -146.8 | -168.9 | 102.6 | -147.9 | 163.7 | 177.9 | 177.6 | 0 | 110.8 | |||||
| 158 | E | 31.2 | Very low | 36.2 | Very low | 141 Ų | 141 | 154 Ų | 154 | 66% | 0.659 | 79% | 0.794 | S | S | * | * | trans | -143.4 | 146 | -147 | 161.8 | -174.1 | 169 | 0 | 0 | 112.2 | ||||
| 159 | N | 28.7 | Very low | 36 | Very low | 144 Ų | 144 | 153.6 Ų | 153.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 63.8 | 159.3 | 173.8 | -63.6 | -33.6 | 0 | 0 | 0 | 115.4 | ||||
| 160 | S | 33.4 | Very low | 35.5 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -143.9 | -167.2 | 16.8 | 65.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 161 | K | 36.6 | Very low | 34.8 | Very low | 186 Ų | 186 | 154.8 Ų | 154.8 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | trans | -93.9 | 151.9 | -173.9 | -40.4 | 165.3 | -175.7 | 175 | 0 | 112.1 | ||||
| 162 | L | 29.5 | Very low | 34.7 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | -166.5 | -173.8 | 127.9 | -133.6 | 64.8 | 0 | 0 | 0 | 114 | |||||
| 163 | F | 29.1 | Very low | 34.4 | Very low | 178 Ų | 178 | 151.3 Ų | 151.3 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -116.7 | 138.5 | -162.2 | -74.2 | -102.3 | 0 | 0 | 0 | 113.4 | ||||
| 164 | D | 29.6 | Very low | 34.7 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 59.2 | -169.4 | 130.3 | -120 | 16.8 | 0 | 0 | 0 | 119.1 | ||||
| 165 | P | 49.4 | Very low | 34.7 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | -132.4 | 167 | -81.2 | 35.2 | -16.3 | 0 | 0 | 0 | 117.2 | |||||
| 166 | C | 31.8 | Very low | 34.5 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -173.5 | 142.7 | 151.4 | -107.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 167 | N | 31 | Very low | 34.5 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | cis | 78.9 | 137 | 32.5 | -154.6 | 29.6 | 0 | 0 | 0 | 112.9 | ||||
| 168 | S | 41.3 | Very low | 35 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | -141.7 | -173.6 | 2.4 | 49.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 169 | V | 36.8 | Very low | 35.3 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | cis | -140.3 | 175.4 | 12.6 | -67.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 170 | E | 35.5 | Very low | 35.8 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | 87.2 | 94.1 | 15 | -67.4 | -65.3 | 175.3 | 0 | 0 | 120.1 | ||||
| 171 | F | 26.7 | Very low | 36.1 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -177.9 | 123.2 | 147.9 | -122.5 | -103.7 | 0 | 0 | 0 | 107.4 | ||||
| 172 | L | 41.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | 65.7 | 137.5 | 62 | -57.6 | -179.6 | 0 | 0 | 0 | 113.1 | |||||
| 173 | D | 32.4 | Very low | 36.1 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | cis | -147.5 | 178.9 | 37.9 | -162.2 | 12.7 | 0 | 0 | 0 | 115.3 | ||||
| 174 | L | 45.3 | Very low | 36.1 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | trans | -133.6 | 125 | -171.6 | 169.9 | 68.3 | 0 | 0 | 0 | 113.4 | ||||
| 175 | A | 34.7 | Very low | 36.2 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | trans | -147.5 | 125.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 176 | H | 32.3 | Very low | 35.4 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | cis | 96 | 134.6 | 47 | -85.4 | -75.3 | 0 | 0 | 0 | 114 | ||||
| 177 | S | 37.5 | Very low | 35.8 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -85.9 | 163.1 | -164.7 | -34.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 178 | S | 40.1 | Very low | 35.9 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -142 | 149.6 | 159 | -73.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 179 | E | 38.4 | Very low | 35.7 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -116.9 | -168.2 | -174.7 | -57.3 | 178.4 | 124.2 | 0 | 0 | 111.7 | ||||
| 180 | S | 38 | Very low | 35.7 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 78.9 | 146.5 | 169 | 80.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 181 | Q | 41.2 | Very low | 35.4 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | cis | -169.1 | -174.7 | -32.9 | -127.3 | -179.4 | -59.4 | 0 | 0 | 110.7 | ||||
| 182 | E | 32.4 | Very low | 35.7 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 61% | 0.607 | 77% | 0.773 | S | S | * | * | trans | 71 | 95.1 | 160.1 | -57.2 | -34.9 | 85.8 | 0 | 0 | 124 | ||||
| 183 | T | 32.4 | Very low | 35.3 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 63% | 0.632 | 78% | 0.776 | S | S | * | * | 62.2 | 122.5 | 119.3 | 62.8 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 184 | I | 30.8 | Very low | 35.5 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 75.8 | 123 | 131.1 | 75.6 | -179.2 | 0 | 0 | 0 | 125.8 | ||||
| 185 | S | 30.5 | Very low | 35.6 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | 77 | 115.6 | 133.4 | -158.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 186 | S | 33.1 | Very low | 35.9 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | -164 | 156.6 | 116.5 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 187 | M | 40 | Very low | 36.6 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -86.6 | 156.6 | 170.3 | -61.8 | -109.9 | 66.4 | 0 | 0 | 111.4 | ||||
| 188 | G | 32.4 | Very low | 37.1 | Very low | 74 Ų | 74 | 146.8 Ų | 146.8 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -176 | 136.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 189 | E | 37.4 | Very low | 37.3 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -110.7 | 162.6 | -169.8 | -58.6 | -179.3 | 133.8 | 0 | 0 | 112.9 | ||||
| 190 | Q | 36.7 | Very low | 37.5 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | 69.6 | 155.2 | 174.5 | -44.4 | -174.3 | -71.7 | 0 | 0 | 114.2 | ||||
| 191 | L | 30.3 | Very low | 38.1 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | cis | -149.6 | 149.6 | 13.4 | -170.3 | 68.5 | 0 | 0 | 0 | 111.4 | ||||
| 192 | D | 32.7 | Very low | 38.4 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 66% | 0.663 | 77% | 0.772 | S | S | * | * | trans | 7.5 | 122.2 | 162 | -45.8 | -25.8 | 0 | 0 | 0 | 120.5 | ||||
| 193 | N | 33 | Very low | 39.1 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | -177.5 | 151.2 | 100.8 | -102.2 | -86.2 | 0 | 0 | 0 | 114.2 | |||||
| 194 | L | 37.2 | Very low | 40.1 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | 14 | 147 | 146.9 | -60.5 | 169.1 | 0 | 0 | 0 | 120.4 | ||||
| 195 | S | 46.5 | Very low | 41.3 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | cis | 160 | 74.7 | -5.5 | 166 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 196 | E | 40.2 | Very low | 42.7 | Very low | 200 Ų | 200 | 141.3 Ų | 141.3 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | trans | -128.6 | 64.5 | 176.9 | -71.2 | -160.8 | 133.5 | 0 | 0 | 112.8 | ||||
| 197 | Q | 48.4 | Very low | 44 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | trans | -159.4 | 161.5 | 161.3 | -123.5 | -180 | 8.7 | 0 | 0 | 111.2 | ||||
| 198 | R | 47.7 | Very low | 45.3 | Very low | 217 Ų | 217 | 133.8 Ų | 133.8 | 82% | 0.819 | 70% | 0.699 | S | S | * | * | trans | 82.2 | 67.5 | 179.7 | -48.7 | 176.6 | -174.6 | -160.5 | -0.3 | 115.6 | ||||
| 199 | T | 43.8 | Very low | 47.1 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -130.6 | 19.2 | 161.7 | 49.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 200 | D | 43.3 | Very low | 48.8 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -120.2 | -10.8 | -168.3 | -57.3 | -80.6 | 0 | 0 | 0 | 114.5 | E202 | D200-E202 PolarHBondContact O-N 3.37Š|
| 201 | T | 49.8 | Very low | 50.9 | Low | 96 Ų | 96 | 126.9 Ų | 126.9 | 59% | 0.589 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -8.6 | -168.3 | 33.1 | 0 | 0 | 0 | 0 | 116.3 | ||
| 202 | E | 46.8 | Very low | 53.8 | Low | 189 Ų | 189 | 124.7 Ų | 124.7 | 88% | 0.883 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -14.8 | 179.8 | -62.9 | -173.4 | 154.2 | 0 | 0 | 113.6 | D200 M204 | D200-E202 PolarHBondContact O-N 3.37Å; E202-M204 VanDerWaalsContact C-N 3.34Å |
| 203 | N | 48.9 | Very low | 56.8 | Low | 135 Ų | 135 | 121.9 Ų | 121.9 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -90.1 | -0.8 | -178.3 | -155.9 | 15.6 | 0 | 0 | 0 | 112.6 | ||
| 204 | M | 53.2 | Low | 59.9 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 50% | 0.498 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -92.4 | -38.2 | -169.5 | -166.4 | 166.7 | 55.4 | 0 | 0 | 112.7 | E202 D206 C207 Q208 | E202-M204 VanDerWaalsContact C-N 3.34Å; M204-D206 PolarHBondContact O-N 2.97Å; M204-C207 WeakPolarHBondContact O-CB 3.13Å; M204-C207 PolarHBondContact O-N 3.43Å; M204-Q208 WeakPolarHBondContact O-CG 3.32Å; M204-Q208 PolarHBondContact O-N 2.84Å |
| 205 | E | 55.6 | Low | 62.7 | Low | 85 Ų | 85 | 110.5 Ų | 110.5 | 40% | 0.397 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.4 | -37.6 | -175.7 | -86.8 | 48.4 | -128.9 | 0 | 0 | 113.3 | Q208 N209 | E205-Q208 WeakPolarHBondContact O-CB 3.35Å; E205-Q208 PolarHBondContact O-N 2.87Å; E205-Q208 PolarHBondContact OE1-NE2 2.85Å; E205-N209 VanDerWaalsContact O-CG 3.31Å; E205-N209 PolarHBondContact O-N 2.81Å; E205-N209 PolarHBondContact O-ND2 2.81Å |
| 206 | D | 59.3 | Low | 65.1 | Low | 121 Ų | 121 | 110 Ų | 110 | 65% | 0.647 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74 | -32.4 | -179.6 | -139.4 | 26.2 | 0 | 0 | 0 | 111.4 | M204 N209 L210 | M204-D206 PolarHBondContact O-N 2.97Å; D206-N209 PolarHBondContact O-N 3.1Å; D206-L210 PolarHBondContact O-N 2.9Å |
| 207 | C | 60.3 | Low | 67.8 | Low | 73 Ų | 73 | 101.9 Ų | 101.9 | 49% | 0.493 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 167.3 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | M204 N209 L210 L211 | M204-C207 WeakPolarHBondContact O-CB 3.13Å; M204-C207 PolarHBondContact O-N 3.43Å; C207-N209 PolarHBondContact O-N 3.12Å; C207-L210 PolarHBondContact O-N 2.9Å; C207-L210 VanDerWaalsContact O-N 3.14Å; C207-L211 WeakPolarHBondContact O-CG 3.29Å; C207-L211 PolarHBondContact O-N 3.02Å; C207-L211 VanDerWaalsContact O-N 3.13Å |
| 208 | Q | 68 | Low | 70.1 | Confident | 66 Ų | 66 | 100.4 Ų | 100.4 | 31% | 0.308 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.1 | -36.3 | 173.6 | -63.1 | 167.5 | 27.4 | 0 | 0 | 111.9 | M204 E205 L210 L211 K212 | M204-Q208 WeakPolarHBondContact O-CG 3.32Å; M204-Q208 PolarHBondContact O-N 2.84Å; E205-Q208 WeakPolarHBondContact O-CB 3.35Å; E205-Q208 PolarHBondContact O-N 2.87Å; E205-Q208 PolarHBondContact OE1-NE2 2.85Å; Q208-L210 VanDerWaalsContact C-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.17Å; Q208-L211 PolarHBondContact O-N 3.49Å; Q208-K212 VanDerWaalsContact O-CG 3.28Å; Q208-K212 WeakPolarHBondContact O-CG 3.27Å; Q208-K212 PolarHBondContact O-N 2.83Å |
| 209 | N | 70.6 | Confident | 72.4 | Confident | 63 Ų | 63 | 99 Ų | 99 | 34% | 0.337 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -25.2 | 179.1 | -74 | -35.4 | 0 | 0 | 0 | 114 | E205 D206 C207 K212 R222 | E205-N209 VanDerWaalsContact O-CG 3.31Å; E205-N209 PolarHBondContact O-N 2.81Å; E205-N209 PolarHBondContact O-ND2 2.81Å; D206-N209 PolarHBondContact O-N 3.1Å; C207-N209 PolarHBondContact O-N 3.12Å; N209-K212 PolarHBondContact OD1-NZ 3.3Å; N209-R222 PolarHBondContact O-NH1 2.82Å |
| 210 | L | 72.5 | Confident | 74.9 | Confident | 87 Ų | 87 | 98.1 Ų | 98.1 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -81.7 | -35.2 | 171 | -62.1 | 175.4 | 0 | 0 | 0 | 112.3 | D206 C207 Q208 L234 I266 | D206-L210 PolarHBondContact O-N 2.9Å; C207-L210 PolarHBondContact O-N 2.9Å; C207-L210 VanDerWaalsContact O-N 3.14Å; Q208-L210 VanDerWaalsContact C-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.17Å; L210-L234 HydrophobicContact CD2-CD2 4.41Å; L210-I266 HydrophobicContact CB-CD1 4.48Å; L210-I266 HydrophobicContact CD1-CD1 4.35Å |
| 211 | L | 80.6 | Confident | 77.4 | Confident | 144 Ų | 144 | 96.3 Ų | 96.3 | 75% | 0.754 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.6 | -31 | 177.1 | -65.8 | 172.4 | 0 | 0 | 0 | 113.2 | C207 Q208 | C207-L211 WeakPolarHBondContact O-CG 3.29Å; C207-L211 PolarHBondContact O-N 3.02Å; C207-L211 VanDerWaalsContact O-N 3.13Å; Q208-L211 PolarHBondContact O-N 3.49Å |
| 212 | K | 91.4 | Very high | 79.6 | Confident | 87 Ų | 87 | 94.1 Ų | 94.1 | 38% | 0.378 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -53.6 | 133.8 | 177.2 | -79.6 | 165.6 | -159.7 | 167.5 | 0 | 110.9 | Q208 N209 R222 | Q208-K212 VanDerWaalsContact O-CG 3.28Å; Q208-K212 WeakPolarHBondContact O-CG 3.27Å; Q208-K212 PolarHBondContact O-N 2.83Å; N209-K212 PolarHBondContact OD1-NZ 3.3Å; K212-R222 WeakPolarHBondContact O-CD 3.49Å; K212-R222 WeakPolarHBondContact O-CG 3.47Å; K212-R222 PolarHBondContact O-NE 3.49Å |
| 213 | P | 95.9 | Very high | 82 | Confident | 65 Ų | 65 | 86.4 Ų | 86.4 | 42% | 0.422 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 166.8 | 178.7 | -28.8 | 36.5 | 0 | 0 | 0 | 115.7 | S215 E218 R222 | P213-S215 PolarHBondContact O-N 3.13Å; P213-E218 VanDerWaalsContact CB-O 3.27Å; P213-E218 WeakPolarHBondContact CB-O 3.15Å; P213-R222 PolarHBondContact O-NE 2.95Å; P213-R222 PolarHBondContact O-NH2 3.23Å; P213-R222 VanDerWaalsContact O-NH2 3.15Å |
| 214 | C | 97 | Very high | 84.4 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 120 | 172 | 168.5 | 0 | 0 | 0 | 0 | 112.2 | L216 C217 E218 R220 T236 C237 | C214-L216 PolarHBondContact O-N 3.18Å; C214-C217 PolarHBondContact O-N 2.96Å; C214-C217 VanDerWaalsContact O-N 3.15Å; C214-C217 VanDerWaalsContact SG-SG 3.67Å; C214-E218 WeakPolarHBondContact O-CA 3.42Å; C214-E218 PolarHBondContact O-N 3.29Å; C214-R220 VanDerWaalsContact CB-O 3.29Å; C214-R220 WeakPolarHBondContact CB-O 3.41Å; C214-R220 PolarHBondContact N-O 2.95Å; C214-T236 VanDerWaalsContact SG-CA 3.58Å; C214-C237 HydrophobicContact CB-CB 3.9Å; C214-C237 VanDerWaalsContact CB-N 3.35Å; C214-C237 PolarHBondContact SG-N 2.87Å; C214-C237 VanDerWaalsContact SG-SG 3.7Å |
| 215 | S | 96.1 | Very high | 86.5 | Confident | 55 Ų | 55 | 76.9 Ų | 76.9 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 11 | -175.6 | 61.9 | 0 | 0 | 0 | 0 | 116.8 | P213 V235 | P213-S215 PolarHBondContact O-N 3.13Å; S215-V235 PolarHBondContact N-O 2.83Å; S215-V235 VanDerWaalsContact N-O 3.07Å; S215-V235 PolarHBondContact OG-O 3.39Å; S215-V235 VanDerWaalsContact OG-O 3.13Å |
| 216 | L | 97 | Very high | 88.6 | Confident | 85 Ų | 85 | 72.9 Ų | 72.9 | 45% | 0.445 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | -2.4 | 178.9 | -65.1 | -178.7 | 0 | 0 | 0 | 113.4 | C214 T236 C240 L244 | C214-L216 PolarHBondContact O-N 3.18Å; L216-T236 HydrophobicContact CB-CG2 4.46Å; L216-T236 HydrophobicContact CD1-CG2 3.6Å; L216-T236 HydrophobicContact CG-CG2 3.89Å; L216-C240 HydrophobicContact CB-CB 4.22Å; L216-C240 HydrophobicContact CD1-CB 4.35Å; L216-L244 HydrophobicContact CD1-CD1 3.81Å; L216-L244 HydrophobicContact CD1-CD2 4.11Å; L216-L244 HydrophobicContact CD1-CG 4.04Å |
| 217 | C | 97.5 | Very high | 90.4 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -156.5 | -8 | 176.2 | 70.5 | 0 | 0 | 0 | 0 | 115.3 | C214 K219 C240 | C214-C217 PolarHBondContact O-N 2.96Å; C214-C217 VanDerWaalsContact O-N 3.15Å; C214-C217 VanDerWaalsContact SG-SG 3.67Å; C217-K219 WeakPolarHBondContact O-CB 3.46Å; C217-K219 WeakPolarHBondContact O-CD 3.39Å; C217-K219 VanDerWaalsContact O-CG 3.23Å; C217-K219 WeakPolarHBondContact O-CG 3.45Å; C217-K219 PolarHBondContact O-N 3.27Å; C217-C240 VanDerWaalsContact SG-SG 3.6Å |
| 218 | E | 96.4 | Very high | 92.2 | Very high | 149 Ų | 149 | 65.6 Ų | 65.6 | 70% | 0.696 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 57.1 | -0.5 | 172.4 | -70.5 | 145.3 | -149.1 | 0 | 0 | 117.1 | P213 C214 | P213-E218 VanDerWaalsContact CB-O 3.27Å; P213-E218 WeakPolarHBondContact CB-O 3.15Å; C214-E218 WeakPolarHBondContact O-CA 3.42Å; C214-E218 PolarHBondContact O-N 3.29Å |
| 219 | K | 95.7 | Very high | 93.5 | Very high | 188 Ų | 188 | 64.9 Ų | 64.9 | 82% | 0.817 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -109.3 | 5.5 | -171.7 | -69 | 162.2 | -175.8 | -179.2 | 0 | 114.6 | C217 | C217-K219 WeakPolarHBondContact O-CB 3.46Å; C217-K219 WeakPolarHBondContact O-CD 3.39Å; C217-K219 VanDerWaalsContact O-CG 3.23Å; C217-K219 WeakPolarHBondContact O-CG 3.45Å; C217-K219 PolarHBondContact O-N 3.27Å |
| 220 | R | 96.8 | Very high | 94.8 | Very high | 116 Ų | 116 | 74 Ų | 74 | 44% | 0.438 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -147.7 | 149.3 | -174.6 | -67 | -169.8 | -172 | 86.6 | 2.8 | 111.1 | C214 C237 | C214-R220 VanDerWaalsContact CB-O 3.29Å; C214-R220 WeakPolarHBondContact CB-O 3.41Å; C214-R220 PolarHBondContact N-O 2.95Å; R220-C237 HydrophobicContact CB-CB 3.56Å |
| 221 | P | 96.1 | Very high | 96 | Very high | 86 Ų | 86 | 73.8 Ų | 73.8 | 56% | 0.558 | 37% | 0.373 | S | S | * | . | trans | -64 | 166.1 | 176.2 | 28.9 | -37.1 | 0 | 0 | 0 | 112.1 | D223 C237 | P221-D223 PolarHBondContact O-N 3.25Å; P221-C237 WeakPolarHBondContact O-CA 3.41Å; P221-C237 WeakPolarHBondContact O-CB 3.42Å | ||
| 222 | R | 96.9 | Very high | 96.8 | Very high | 51 Ų | 51 | 68.2 Ų | 68.2 | 19% | 0.192 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -79.9 | 68 | 175.7 | -66.4 | 172.4 | 178.4 | -169.9 | -2.4 | 110.7 | N209 K212 P213 L234 T236 | N209-R222 PolarHBondContact O-NH1 2.82Å; K212-R222 WeakPolarHBondContact O-CD 3.49Å; K212-R222 WeakPolarHBondContact O-CG 3.47Å; K212-R222 PolarHBondContact O-NE 3.49Å; P213-R222 PolarHBondContact O-NE 2.95Å; P213-R222 PolarHBondContact O-NH2 3.23Å; P213-R222 VanDerWaalsContact O-NH2 3.15Å; R222-L234 HydrophobicContact CB-CG 4.28Å; R222-L234 WeakPolarHBondContact O-CD1 3.4Å; R222-L234 WeakPolarHBondContact O-CG 3.11Å; R222-T236 CarbonylContact C-O 3.57Å; R222-T236 WeakPolarHBondContact CA-O 3.39Å |
| 223 | D | 97.3 | Very high | 97.1 | Very high | 26 Ų | 26 | 66.6 Ų | 66.6 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | trans | -96.9 | 5.5 | 179.7 | 78 | -33.6 | 0 | 0 | 0 | 114.3 | P221 T236 C237 F238 K263 V264 | P221-D223 PolarHBondContact O-N 3.25Å; D223-T236 PolarHBondContact N-O 3.12Å; D223-C237 WeakPolarHBondContact OD1-CA 3.44Å; D223-C237 VanDerWaalsContact OD1-CB 3.3Å; D223-C237 WeakPolarHBondContact OD1-CB 3.25Å; D223-F238 PolarHBondContact OD1-N 3.18Å; D223-K263 CarbonylContact O-C 3.6Å; D223-K263 VanDerWaalsContact O-CA 3.29Å; D223-K263 WeakPolarHBondContact O-CA 3.18Å; D223-K263 WeakPolarHBondContact OD2-CE 3.28Å; D223-K263 IonicContact OD2-NZ 2.66Å; D223-K263 PolarHBondContact OD2-NZ 2.94Å; D223-V264 PolarHBondContact O-N 3.37Å | ||
| 224 | G | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 98 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T236 | G224-T236 CarbonylContact C-O 3.55Å; G224-T236 VanDerWaalsContact CA-O 3.31Å; G224-T236 WeakPolarHBondContact CA-O 3.18Å; G224-T236 PolarHBondContact N-O 2.99Å; G224-T236 PolarHBondContact O-OG1 2.9Å; G224-T236 VanDerWaalsContact O-OG1 3.13Å |
| 225 | N | 98.3 | Very high | 97.2 | Very high | 37 Ų | 37 | 66.9 Ų | 66.9 | 20% | 0.198 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.7 | 176.7 | -165 | -7.7 | 0 | 0 | 0 | 110.7 | I227 G232 H233 L234 V261 I262 V264 | N225-I227 HydrophobicContact CB-CD1 4.2Å; N225-G232 WeakPolarHBondContact OD1-CA 3.43Å; N225-H233 PolarHBondContact OD1-N 3.21Å; N225-H233 PolarHBondContact OD1-O 2.87Å; N225-L234 HydrophobicContact CB-CD1 3.97Å; N225-V261 WeakPolarHBondContact O-CA 3.41Å; N225-I262 PolarHBondContact N-O 3.41Å; N225-I262 PolarHBondContact O-N 3.27Å; N225-V264 HydrophobicContact CB-CG2 3.68Å |
| 226 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 107.5 | 178.9 | -65.4 | 174.6 | 0 | 0 | 0 | 108.6 | H228 G232 H233 T236 A241 L244 C251 P252 I258 | I226-H228 PolarHBondContact O-CD2 3.2Å; I226-G232 CarbonylContact O-C 3.49Å; I226-G232 WeakPolarHBondContact O-CA 3.42Å; I226-H233 PolarHBondContact N-O 2.66Å; I226-H233 PolarHBondContact O-N 3.36Å; I226-T236 HydrophobicContact CD1-CG2 4.4Å; I226-T236 WeakPolarHBondContact CD1-OG1 3.37Å; I226-A241 HydrophobicContact CD1-CB 4.28Å; I226-A241 HydrophobicContact CG1-CB 3.82Å; I226-L244 HydrophobicContact CD1-CD1 3.76Å; I226-C251 HydrophobicContact CG2-CB 3.88Å; I226-P252 HydrophobicContact CD1-CG 4.21Å; I226-I258 HydrophobicContact CD1-CD1 4.41Å; I226-I258 HydrophobicContact CG2-CB 4.27Å; I226-I258 HydrophobicContact CG2-CD1 3.72Å; I226-I258 HydrophobicContact CG2-CG1 3.61Å; I226-I258 HydrophobicContact CG2-CG2 3.85Å |
| 227 | I | 98.6 | Very high | 97.3 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.2 | -173.8 | -48.9 | -59.5 | 0 | 0 | 0 | 111.7 | N225 Q259 L260 I262 | N225-I227 HydrophobicContact CB-CD1 4.2Å; I227-Q259 PolarHBondContact O-N 3.15Å; I227-Q259 VanDerWaalsContact O-N 3.1Å; I227-L260 HydrophobicContact CB-CB 4.08Å; I227-L260 HydrophobicContact CG1-CB 4.37Å; I227-L260 PolarHBondContact N-O 2.86Å; I227-L260 PolarHBondContact O-N 2.98Å; I227-I262 HydrophobicContact CD1-CD1 4.26Å; I227-I262 HydrophobicContact CG1-CD1 3.96Å; I227-I262 HydrophobicContact CG1-CG1 4.06Å |
| 228 | H | 97.7 | Very high | 97.3 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.046 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 109.2 | 176.5 | 48.9 | 97.9 | 0 | 0 | 0 | 109.6 | I226 R230 T231 H233 C254 K256 E257 | I226-H228 PolarHBondContact O-CD2 3.2Å; H228-R230 PolarHBondContact O-N 2.89Å; H228-T231 PolarHBondContact CE1-OG1 2.92Å; H228-T231 PolarHBondContact N-O 2.77Å; H228-T231 PolarHBondContact O-N 2.92Å; H228-H233 AromaticContact CE1-CE1 3.59Å; H228-H233 AromaticContact CE1-ND1 3.87Å; H228-H233 AromaticContact NE2-CE1 3.36Å; H228-H233 PolarHBondContact NE2-CE1 3.13Å; H228-H233 AromaticContact NE2-ND1 3.16Å; H228-H233 PolarHBondContact NE2-ND1 3.24Å; H228-H233 VanDerWaalsContact NE2-ND1 3.16Å; H228-C254 VanDerWaalsContact CE1-SG 3.53Å; H228-K256 HydrophobicContact CB-CB 4.08Å; H228-K256 VanDerWaalsContact ND1-CD 3.32Å; H228-K256 WeakPolarHBondContact ND1-CD 3.26Å; H228-E257 WeakPolarHBondContact CB-O 3.42Å |
| 229 | G | 95.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -114.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 230 | R | 96.8 | Very high | 97.6 | Very high | 256 Ų | 256 | 51.2 Ų | 51.2 | 97% | 0.966 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 3.3 | -179.6 | -63.7 | -173.1 | -177.7 | -174.9 | 1.4 | 114.1 | H228 | H228-R230 PolarHBondContact O-N 2.89Š|
| 231 | T | 97.8 | Very high | 97.7 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 169.4 | 179.2 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | H228 | H228-T231 PolarHBondContact CE1-OG1 2.92Å; H228-T231 PolarHBondContact N-O 2.77Å; H228-T231 PolarHBondContact O-N 2.92Å |
| 232 | G | 97.5 | Very high | 97.8 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 165 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N225 I226 | N225-G232 WeakPolarHBondContact OD1-CA 3.43Å; I226-G232 CarbonylContact O-C 3.49Å; I226-G232 WeakPolarHBondContact O-CA 3.42Å |
| 233 | H | 97.8 | Very high | 97.9 | Very high | 52 Ų | 52 | 54.4 Ų | 54.4 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125 | 177.2 | -63.9 | 117.7 | 0 | 0 | 0 | 110.9 | N225 I226 H228 V235 C251 I253 C254 | N225-H233 PolarHBondContact OD1-N 3.21Å; N225-H233 PolarHBondContact OD1-O 2.87Å; I226-H233 PolarHBondContact N-O 2.66Å; I226-H233 PolarHBondContact O-N 3.36Å; H228-H233 AromaticContact CE1-CE1 3.59Å; H228-H233 AromaticContact CE1-ND1 3.87Å; H228-H233 AromaticContact NE2-CE1 3.36Å; H228-H233 PolarHBondContact NE2-CE1 3.13Å; H228-H233 AromaticContact NE2-ND1 3.16Å; H228-H233 PolarHBondContact NE2-ND1 3.24Å; H228-H233 VanDerWaalsContact NE2-ND1 3.16Å; H233-V235 PolarHBondContact O-N 3.47Å; H233-C251 PolarHBondContact ND1-SG 2.86Å; H233-I253 HydrophobicContact CB-CG1 4.2Å; H233-C254 PolarHBondContact CE1-SG 3.48Å |
| 234 | L | 96.9 | Very high | 97.9 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 24% | 0.236 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 66.7 | -179 | -169 | 60.3 | 0 | 0 | 0 | 111.2 | L210 R222 N225 V264 | L210-L234 HydrophobicContact CD2-CD2 4.41Å; R222-L234 HydrophobicContact CB-CG 4.28Å; R222-L234 WeakPolarHBondContact O-CD1 3.4Å; R222-L234 WeakPolarHBondContact O-CG 3.11Å; N225-L234 HydrophobicContact CB-CD1 3.97Å; L234-V264 HydrophobicContact CD1-CB 4.32Å; L234-V264 HydrophobicContact CD1-CG2 3.97Å; L234-V264 HydrophobicContact CD2-CG1 4.29Å; L234-V264 HydrophobicContact CD2-CG2 4.47Å |
| 235 | V | 96.9 | Very high | 97.9 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -6.5 | -177.2 | -65.7 | 0 | 0 | 0 | 0 | 113.4 | S215 H233 P252 I253 | S215-V235 PolarHBondContact N-O 2.83Å; S215-V235 VanDerWaalsContact N-O 3.07Å; S215-V235 PolarHBondContact OG-O 3.39Å; S215-V235 VanDerWaalsContact OG-O 3.13Å; H233-V235 PolarHBondContact O-N 3.47Å; V235-P252 HydrophobicContact CG2-CG 4.08Å; V235-I253 HydrophobicContact CB-CD1 4.47Å; V235-I253 HydrophobicContact CG1-CD1 4.05Å; V235-I253 HydrophobicContact CG1-CG1 4.08Å; V235-I253 HydrophobicContact CG2-CD1 4.06Å; V235-I253 HydrophobicContact CG2-CG1 3.87Å |
| 236 | T | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 156.8 | -171.5 | 41.4 | 0 | 0 | 0 | 0 | 112.2 | C214 L216 R222 D223 G224 I226 | C214-T236 VanDerWaalsContact SG-CA 3.58Å; L216-T236 HydrophobicContact CB-CG2 4.46Å; L216-T236 HydrophobicContact CD1-CG2 3.6Å; L216-T236 HydrophobicContact CG-CG2 3.89Å; R222-T236 CarbonylContact C-O 3.57Å; R222-T236 WeakPolarHBondContact CA-O 3.39Å; D223-T236 PolarHBondContact N-O 3.12Å; G224-T236 CarbonylContact C-O 3.55Å; G224-T236 VanDerWaalsContact CA-O 3.31Å; G224-T236 WeakPolarHBondContact CA-O 3.18Å; G224-T236 PolarHBondContact N-O 2.99Å; G224-T236 PolarHBondContact O-OG1 2.9Å; G224-T236 VanDerWaalsContact O-OG1 3.13Å; I226-T236 HydrophobicContact CD1-CG2 4.4Å; I226-T236 WeakPolarHBondContact CD1-OG1 3.37Å |
| 237 | C | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -74.2 | 154.9 | 162.5 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | C214 R220 P221 D223 H239 C240 A241 | C214-C237 HydrophobicContact CB-CB 3.9Å; C214-C237 VanDerWaalsContact CB-N 3.35Å; C214-C237 PolarHBondContact SG-N 2.87Å; C214-C237 VanDerWaalsContact SG-SG 3.7Å; R220-C237 HydrophobicContact CB-CB 3.56Å; P221-C237 WeakPolarHBondContact O-CA 3.41Å; P221-C237 WeakPolarHBondContact O-CB 3.42Å; D223-C237 WeakPolarHBondContact OD1-CA 3.44Å; D223-C237 VanDerWaalsContact OD1-CB 3.3Å; D223-C237 WeakPolarHBondContact OD1-CB 3.25Å; C237-H239 PolarHBondContact O-N 3.49Å; C237-C240 PolarHBondContact O-N 3.11Å; C237-A241 PolarHBondContact O-N 3.39Å | ||
| 238 | F | 98.5 | Very high | 97.9 | Very high | 59 Ų | 59 | 72.4 Ų | 72.4 | 26% | 0.259 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56 | -35.6 | -177.3 | -178.2 | -115.5 | 0 | 0 | 0 | 112.9 | D223 R242 V261 K263 | D223-F238 PolarHBondContact OD1-N 3.18Å; F238-R242 HydrophobicContact CD2-CG 4.45Å; F238-R242 HydrophobicContact CE1-CG 4.43Å; F238-R242 HydrophobicContact CE2-CG 4.16Å; F238-R242 HydrophobicContact CZ-CG 4.17Å; F238-R242 WeakPolarHBondContact O-CB 3.16Å; F238-R242 WeakPolarHBondContact O-CG 3.3Å; F238-R242 PolarHBondContact O-N 3.45Å; F238-V261 HydrophobicContact CD2-CG1 3.77Å; F238-V261 HydrophobicContact CE2-CG1 3.93Å; F238-K263 HydrophobicContact CB-CB 4.4Å; F238-K263 HydrophobicContact CB-CD 4.49Å; F238-K263 HydrophobicContact CB-CG 4.43Å; F238-K263 HydrophobicContact CD1-CB 4.25Å; F238-K263 HydrophobicContact CD1-CD 4.29Å; F238-K263 HydrophobicContact CD2-CB 3.62Å; F238-K263 HydrophobicContact CE1-CB 4.4Å; F238-K263 HydrophobicContact CE2-CB 3.81Å; F238-K263 HydrophobicContact CG-CB 3.85Å; F238-K263 HydrophobicContact CG-CD 4.37Å; F238-K263 HydrophobicContact CG-CG 4.33Å; F238-K263 HydrophobicContact CZ-CB 4.18Å |
| 239 | H | 98.6 | Very high | 97.9 | Very high | 109 Ų | 109 | 73.7 Ų | 73.7 | 51% | 0.505 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 175.9 | -177.1 | 83.6 | 0 | 0 | 0 | 112.7 | C237 R243 | C237-H239 PolarHBondContact O-N 3.49Å; H239-R243 WeakPolarHBondContact NE2-CD 3.4Å; H239-R243 PolarHBondContact NE2-NE 2.93Å; H239-R243 VanDerWaalsContact NE2-NE 3.11Å; H239-R243 PolarHBondContact NE2-NH1 2.88Å; H239-R243 PolarHBondContact O-N 3.31Å |
| 240 | C | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 74.1 Ų | 74.1 | 8% | 0.081 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.8 | -40.5 | 178.2 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | L216 C217 C237 R242 R243 L244 | L216-C240 HydrophobicContact CB-CB 4.22Å; L216-C240 HydrophobicContact CD1-CB 4.35Å; C217-C240 VanDerWaalsContact SG-SG 3.6Å; C237-C240 PolarHBondContact O-N 3.11Å; C240-R242 PolarHBondContact O-N 3.1Å; C240-R243 WeakPolarHBondContact O-CB 3.13Å; C240-R243 PolarHBondContact O-N 2.78Å; C240-R243 VanDerWaalsContact O-N 3.15Å; C240-L244 PolarHBondContact O-N 3.45Å |
| 241 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I226 C237 R243 L244 K245 V261 | I226-A241 HydrophobicContact CD1-CB 4.28Å; I226-A241 HydrophobicContact CG1-CB 3.82Å; C237-A241 PolarHBondContact O-N 3.39Å; A241-R243 VanDerWaalsContact C-N 3.33Å; A241-R243 PolarHBondContact O-N 2.71Å; A241-L244 PolarHBondContact O-N 2.88Å; A241-K245 PolarHBondContact O-N 3.19Å; A241-V261 HydrophobicContact CB-CB 4.43Å; A241-V261 HydrophobicContact CB-CG1 3.42Å; A241-V261 VanDerWaalsContact CB-CG1 3.42Å; A241-V261 HydrophobicContact CB-CG2 4.08Å |
| 242 | R | 98.6 | Very high | 98.1 | Very high | 158 Ų | 158 | 59.7 Ų | 59.7 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.3 | -35.1 | 173.3 | -78.6 | -171.7 | 70.2 | -160.8 | 4.2 | 113 | F238 C240 K246 V261 | F238-R242 HydrophobicContact CD2-CG 4.45Å; F238-R242 HydrophobicContact CE1-CG 4.43Å; F238-R242 HydrophobicContact CE2-CG 4.16Å; F238-R242 HydrophobicContact CZ-CG 4.17Å; F238-R242 WeakPolarHBondContact O-CB 3.16Å; F238-R242 WeakPolarHBondContact O-CG 3.3Å; F238-R242 PolarHBondContact O-N 3.45Å; C240-R242 PolarHBondContact O-N 3.1Å; R242-K246 WeakPolarHBondContact O-CB 3.5Å; R242-K246 PolarHBondContact O-N 2.96Å; R242-V261 HydrophobicContact CG-CG1 4.11Å |
| 243 | R | 98.6 | Very high | 98.1 | Very high | 161 Ų | 161 | 62.8 Ų | 62.8 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64 | -46.2 | 173.6 | -85.4 | -179.5 | 143.6 | 173.4 | -8.1 | 111.8 | H239 C240 A241 K246 A247 | H239-R243 WeakPolarHBondContact NE2-CD 3.4Å; H239-R243 PolarHBondContact NE2-NE 2.93Å; H239-R243 VanDerWaalsContact NE2-NE 3.11Å; H239-R243 PolarHBondContact NE2-NH1 2.88Å; H239-R243 PolarHBondContact O-N 3.31Å; C240-R243 WeakPolarHBondContact O-CB 3.13Å; C240-R243 PolarHBondContact O-N 2.78Å; C240-R243 VanDerWaalsContact O-N 3.15Å; A241-R243 VanDerWaalsContact C-N 3.33Å; A241-R243 PolarHBondContact O-N 2.71Å; R243-K246 PolarHBondContact O-N 3.4Å; R243-A247 WeakPolarHBondContact O-CB 3.26Å; R243-A247 PolarHBondContact O-N 2.74Å |
| 244 | L | 98.4 | Very high | 98.1 | Very high | 33 Ų | 33 | 62.5 Ų | 62.5 | 17% | 0.173 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.8 | -52.7 | 174.3 | -69.2 | 176.7 | 0 | 0 | 0 | 111.2 | L216 I226 C240 A241 K246 A247 G248 A249 P252 I258 | L216-L244 HydrophobicContact CD1-CD1 3.81Å; L216-L244 HydrophobicContact CD1-CD2 4.11Å; L216-L244 HydrophobicContact CD1-CG 4.04Å; I226-L244 HydrophobicContact CD1-CD1 3.76Å; C240-L244 PolarHBondContact O-N 3.45Å; A241-L244 PolarHBondContact O-N 2.88Å; L244-K246 PolarHBondContact O-N 2.88Å; L244-A247 PolarHBondContact O-N 3.19Å; L244-A247 VanDerWaalsContact O-N 3.1Å; L244-G248 PolarHBondContact O-N 3.14Å; L244-A249 HydrophobicContact CB-CB 4.34Å; L244-A249 HydrophobicContact CD2-CB 3.97Å; L244-A249 PolarHBondContact O-N 3.32Å; L244-P252 HydrophobicContact CD1-CG 4.25Å; L244-I258 HydrophobicContact CB-CD1 3.66Å; L244-I258 HydrophobicContact CD1-CD1 4.12Å |
| 245 | K | 98.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 67.2 Ų | 67.2 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 179.5 | -169.5 | 179.5 | 177.7 | -174.5 | 0 | 112.2 | A241 A247 G248 I258 Q259 V261 | A241-K245 PolarHBondContact O-N 3.19Å; K245-A247 VanDerWaalsContact C-N 3.26Å; K245-A247 PolarHBondContact O-N 2.77Å; K245-G248 PolarHBondContact O-N 3.07Å; K245-I258 HydrophobicContact CB-CB 4.34Å; K245-I258 HydrophobicContact CB-CG2 3.9Å; K245-I258 HydrophobicContact CD-CG2 4.19Å; K245-I258 WeakPolarHBondContact CD-O 3.13Å; K245-I258 VanDerWaalsContact CE-O 3.25Å; K245-I258 WeakPolarHBondContact CE-O 3.18Å; K245-I258 HydrophobicContact CG-CB 4.35Å; K245-I258 HydrophobicContact CG-CG2 4.06Å; K245-Q259 WeakPolarHBondContact CE-O 3.49Å; K245-Q259 PolarHBondContact NZ-O 2.77Å; K245-V261 HydrophobicContact CB-CG2 4.05Å; K245-V261 HydrophobicContact CD-CG2 4.45Å |
| 246 | K | 98.4 | Very high | 98.2 | Very high | 195 Ų | 195 | 71.8 Ų | 71.8 | 85% | 0.848 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.6 | -29.7 | 177.2 | -176.6 | 173.1 | 179.1 | -177.7 | 0 | 112.6 | R242 R243 L244 G248 | R242-K246 WeakPolarHBondContact O-CB 3.5Å; R242-K246 PolarHBondContact O-N 2.96Å; R243-K246 PolarHBondContact O-N 3.4Å; L244-K246 PolarHBondContact O-N 2.88Å; K246-G248 VanDerWaalsContact C-N 3.3Å |
| 247 | A | 98.2 | Very high | 98.2 | Very high | 81 Ų | 81 | 78.8 Ų | 78.8 | 67% | 0.669 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 1 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | R243 L244 K245 A249 | R243-A247 WeakPolarHBondContact O-CB 3.26Å; R243-A247 PolarHBondContact O-N 2.74Å; L244-A247 PolarHBondContact O-N 3.19Å; L244-A247 VanDerWaalsContact O-N 3.1Å; K245-A247 VanDerWaalsContact C-N 3.26Å; K245-A247 PolarHBondContact O-N 2.77Å; A247-A249 PolarHBondContact O-N 2.86Å |
| 248 | G | 97.7 | Very high | 98.2 | Very high | 70 Ų | 70 | 79.1 Ų | 79.1 | 72% | 0.722 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 14.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L244 K245 K246 | L244-G248 PolarHBondContact O-N 3.14Å; K245-G248 PolarHBondContact O-N 3.07Å; K246-G248 VanDerWaalsContact C-N 3.3Å |
| 249 | A | 98.3 | Very high | 98.2 | Very high | 37 Ų | 37 | 81.3 Ų | 81.3 | 31% | 0.306 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -79 | 141.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L244 A247 I258 | L244-A249 HydrophobicContact CB-CB 4.34Å; L244-A249 HydrophobicContact CD2-CB 3.97Å; L244-A249 PolarHBondContact O-N 3.32Å; A247-A249 PolarHBondContact O-N 2.86Å; A249-I258 WeakPolarHBondContact O-CD1 3.17Å; A249-I258 WeakPolarHBondContact O-CG1 3.43Å |
| 250 | S | 98.4 | Very high | 98.2 | Very high | 59 Ų | 59 | 80.4 Ų | 80.4 | 41% | 0.413 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -65 | 161.6 | 173.7 | -66.9 | 0 | 0 | 0 | 0 | 113.8 | K255 K256 | S250-K255 WeakPolarHBondContact CB-O 3.29Å; S250-K255 PolarHBondContact OG-O 2.63Å; S250-K256 WeakPolarHBondContact CA-O 3.43Å |
| 251 | C | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -54 | 128.1 | 169.7 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | I226 H233 I253 C254 K255 K256 I258 | I226-C251 HydrophobicContact CG2-CB 3.88Å; H233-C251 PolarHBondContact ND1-SG 2.86Å; C251-I253 PolarHBondContact O-N 3.26Å; C251-I253 VanDerWaalsContact O-N 3.17Å; C251-C254 VanDerWaalsContact SG-SG 3.68Å; C251-K255 VanDerWaalsContact O-CA 3.25Å; C251-K255 WeakPolarHBondContact O-CA 3.35Å; C251-K255 PolarHBondContact O-N 3.46Å; C251-K256 WeakPolarHBondContact CB-O 3.45Å; C251-K256 PolarHBondContact N-O 2.92Å; C251-I258 HydrophobicContact CB-CG1 4.38Å |
| 252 | P | 97.3 | Very high | 98.2 | Very high | 34 Ų | 34 | 84.4 Ų | 84.4 | 22% | 0.221 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.6 | -172 | 24.6 | -33.9 | 0 | 0 | 0 | 113 | I226 V235 L244 K255 | I226-P252 HydrophobicContact CD1-CG 4.21Å; V235-P252 HydrophobicContact CG2-CG 4.08Å; L244-P252 HydrophobicContact CD1-CG 4.25Å; P252-K255 PolarHBondContact O-NZ 3.32Å |
| 253 | I | 97.5 | Very high | 98.2 | Very high | 92 Ų | 92 | 81 Ų | 81 | 47% | 0.472 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -70.8 | -179.8 | -51.6 | -53.4 | 0 | 0 | 0 | 110.9 | H233 V235 C251 | H233-I253 HydrophobicContact CB-CG1 4.2Å; V235-I253 HydrophobicContact CB-CD1 4.47Å; V235-I253 HydrophobicContact CG1-CD1 4.05Å; V235-I253 HydrophobicContact CG1-CG1 4.08Å; V235-I253 HydrophobicContact CG2-CD1 4.06Å; V235-I253 HydrophobicContact CG2-CG1 3.87Å; C251-I253 PolarHBondContact O-N 3.26Å; C251-I253 VanDerWaalsContact O-N 3.17Å |
| 254 | C | 97.7 | Very high | 98.1 | Very high | 46 Ų | 46 | 75.2 Ų | 75.2 | 31% | 0.311 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 1.8 | -170.8 | 64 | 0 | 0 | 0 | 0 | 115.7 | H228 H233 C251 K256 | H228-C254 VanDerWaalsContact CE1-SG 3.53Å; H233-C254 PolarHBondContact CE1-SG 3.48Å; C251-C254 VanDerWaalsContact SG-SG 3.68Å; C254-K256 PolarHBondContact O-N 2.87Å |
| 255 | K | 97.8 | Very high | 97.9 | Very high | 145 Ų | 145 | 81.5 Ų | 81.5 | 63% | 0.63 | 43% | 0.432 | S | S | * | . | trans | 57.4 | 8.1 | -178.4 | -43.4 | -53.3 | -177.2 | -170 | 0 | 116.7 | S250 C251 P252 | S250-K255 WeakPolarHBondContact CB-O 3.29Å; S250-K255 PolarHBondContact OG-O 2.63Å; C251-K255 VanDerWaalsContact O-CA 3.25Å; C251-K255 WeakPolarHBondContact O-CA 3.35Å; C251-K255 PolarHBondContact O-N 3.46Å; P252-K255 PolarHBondContact O-NZ 3.32Å | ||
| 256 | K | 98.4 | Very high | 97.5 | Very high | 122 Ų | 122 | 83.2 Ų | 83.2 | 53% | 0.53 | 44% | 0.444 | S | S | . | . | trans | -70.5 | 155.7 | 171.4 | -66.5 | 176.1 | 173.9 | -179.1 | 0 | 112.3 | H228 S250 C251 C254 | H228-K256 HydrophobicContact CB-CB 4.08Å; H228-K256 VanDerWaalsContact ND1-CD 3.32Å; H228-K256 WeakPolarHBondContact ND1-CD 3.26Å; S250-K256 WeakPolarHBondContact CA-O 3.43Å; C251-K256 WeakPolarHBondContact CB-O 3.45Å; C251-K256 PolarHBondContact N-O 2.92Å; C254-K256 PolarHBondContact O-N 2.87Å | ||
| 257 | E | 98.4 | Very high | 96.9 | Very high | 146 Ų | 146 | 81.9 Ų | 81.9 | 68% | 0.682 | 47% | 0.469 | S | S | * | . | trans | -60 | 140.5 | 176.1 | -168 | -165.7 | 163.6 | 0 | 0 | 112.4 | H228 Q259 | H228-E257 WeakPolarHBondContact CB-O 3.42Å; E257-Q259 PolarHBondContact O-N 3.07Å | ||
| 258 | I | 98.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 82 Ų | 82 | 4% | 0.041 | 46% | 0.459 | C | S | . | . | trans | -87.7 | 92.3 | 179.6 | -55.2 | -178.6 | 0 | 0 | 0 | 110.7 | I226 L244 K245 A249 C251 V261 | I226-I258 HydrophobicContact CD1-CD1 4.41Å; I226-I258 HydrophobicContact CG2-CB 4.27Å; I226-I258 HydrophobicContact CG2-CD1 3.72Å; I226-I258 HydrophobicContact CG2-CG1 3.61Å; I226-I258 HydrophobicContact CG2-CG2 3.85Å; L244-I258 HydrophobicContact CB-CD1 3.66Å; L244-I258 HydrophobicContact CD1-CD1 4.12Å; K245-I258 HydrophobicContact CB-CB 4.34Å; K245-I258 HydrophobicContact CB-CG2 3.9Å; K245-I258 HydrophobicContact CD-CG2 4.19Å; K245-I258 WeakPolarHBondContact CD-O 3.13Å; K245-I258 VanDerWaalsContact CE-O 3.25Å; K245-I258 WeakPolarHBondContact CE-O 3.18Å; K245-I258 HydrophobicContact CG-CB 4.35Å; K245-I258 HydrophobicContact CG-CG2 4.06Å; A249-I258 WeakPolarHBondContact O-CD1 3.17Å; A249-I258 WeakPolarHBondContact O-CG1 3.43Å; C251-I258 HydrophobicContact CB-CG1 4.38Å; I258-V261 HydrophobicContact CG2-CG2 3.67Å | ||
| 259 | Q | 98.3 | Very high | 96.8 | Very high | 105 Ų | 105 | 82.6 Ų | 82.6 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | trans | -69.9 | -39.8 | 179.6 | -67.2 | 178.7 | -14.8 | 0 | 0 | 112.4 | I227 K245 E257 | I227-Q259 PolarHBondContact O-N 3.15Å; I227-Q259 VanDerWaalsContact O-N 3.1Å; K245-Q259 WeakPolarHBondContact CE-O 3.49Å; K245-Q259 PolarHBondContact NZ-O 2.77Å; E257-Q259 PolarHBondContact O-N 3.07Å | ||
| 260 | L | 98.2 | Very high | 96.7 | Very high | 90 Ų | 90 | 85.1 Ų | 85.1 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155.6 | 178.6 | -176.2 | 60.7 | 0 | 0 | 0 | 111.3 | I227 I262 | I227-L260 HydrophobicContact CB-CB 4.08Å; I227-L260 HydrophobicContact CG1-CB 4.37Å; I227-L260 PolarHBondContact N-O 2.86Å; I227-L260 PolarHBondContact O-N 2.98Å; L260-I262 HydrophobicContact CD2-CD1 3.97Å; L260-I262 HydrophobicContact CD2-CG1 3.87Å; L260-I262 HydrophobicContact CG-CG1 3.98Å |
| 261 | V | 98.6 | Very high | 96.6 | Very high | 18 Ų | 18 | 86.6 Ų | 86.6 | 11% | 0.109 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121 | 171.4 | 173.4 | 0 | 0 | 0 | 0 | 107.7 | N225 F238 A241 R242 K245 I258 | N225-V261 WeakPolarHBondContact O-CA 3.41Å; F238-V261 HydrophobicContact CD2-CG1 3.77Å; F238-V261 HydrophobicContact CE2-CG1 3.93Å; A241-V261 HydrophobicContact CB-CB 4.43Å; A241-V261 HydrophobicContact CB-CG1 3.42Å; A241-V261 VanDerWaalsContact CB-CG1 3.42Å; A241-V261 HydrophobicContact CB-CG2 4.08Å; R242-V261 HydrophobicContact CG-CG1 4.11Å; K245-V261 HydrophobicContact CB-CG2 4.05Å; K245-V261 HydrophobicContact CD-CG2 4.45Å; I258-V261 HydrophobicContact CG2-CG2 3.67Å |
| 262 | I | 98.3 | Very high | 96.5 | Very high | 78 Ų | 78 | 92.1 Ų | 92.1 | 40% | 0.4 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138 | -178.9 | -60.1 | -179.8 | 0 | 0 | 0 | 108.6 | N225 I227 L260 | N225-I262 PolarHBondContact N-O 3.41Å; N225-I262 PolarHBondContact O-N 3.27Å; I227-I262 HydrophobicContact CD1-CD1 4.26Å; I227-I262 HydrophobicContact CG1-CD1 3.96Å; I227-I262 HydrophobicContact CG1-CG1 4.06Å; L260-I262 HydrophobicContact CD2-CD1 3.97Å; L260-I262 HydrophobicContact CD2-CG1 3.87Å; L260-I262 HydrophobicContact CG-CG1 3.98Å |
| 263 | K | 98.1 | Very high | 96.5 | Very high | 87 Ų | 87 | 95.9 Ų | 95.9 | 38% | 0.378 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 121.6 | 167.2 | 179.8 | 161.8 | 173.2 | 136.3 | 0 | 109.2 | D223 F238 F265 | D223-K263 CarbonylContact O-C 3.6Å; D223-K263 VanDerWaalsContact O-CA 3.29Å; D223-K263 WeakPolarHBondContact O-CA 3.18Å; D223-K263 WeakPolarHBondContact OD2-CE 3.28Å; D223-K263 IonicContact OD2-NZ 2.66Å; D223-K263 PolarHBondContact OD2-NZ 2.94Å; F238-K263 HydrophobicContact CB-CB 4.4Å; F238-K263 HydrophobicContact CB-CD 4.49Å; F238-K263 HydrophobicContact CB-CG 4.43Å; F238-K263 HydrophobicContact CD1-CB 4.25Å; F238-K263 HydrophobicContact CD1-CD 4.29Å; F238-K263 HydrophobicContact CD2-CB 3.62Å; F238-K263 HydrophobicContact CE1-CB 4.4Å; F238-K263 HydrophobicContact CE2-CB 3.81Å; F238-K263 HydrophobicContact CG-CB 3.85Å; F238-K263 HydrophobicContact CG-CD 4.37Å; F238-K263 HydrophobicContact CG-CG 4.33Å; F238-K263 HydrophobicContact CZ-CB 4.18Å; K263-F265 HydrophobicContact CD-CE1 4.44Å; K263-F265 HydrophobicContact CD-CE2 4.16Å; K263-F265 HydrophobicContact CD-CZ 3.82Å; K263-F265 HydrophobicContact CG-CD2 4.47Å; K263-F265 HydrophobicContact CG-CE2 3.9Å; K263-F265 HydrophobicContact CG-CZ 4.07Å |
| 264 | V | 96.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 96.2 Ų | 96.2 | 24% | 0.236 | 50% | 0.504 | C | S | . | . | trans | -92.6 | 142.5 | 177 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | D223 N225 L234 | D223-V264 PolarHBondContact O-N 3.37Å; N225-V264 HydrophobicContact CB-CG2 3.68Å; L234-V264 HydrophobicContact CD1-CB 4.32Å; L234-V264 HydrophobicContact CD1-CG2 3.97Å; L234-V264 HydrophobicContact CD2-CG1 4.29Å; L234-V264 HydrophobicContact CD2-CG2 4.47Å | ||
| 265 | F | 94.9 | Very high | 96.3 | Very high | 164 Ų | 164 | 100.1 Ų | 100.1 | 72% | 0.719 | 52% | 0.519 | S | S | * | . | trans | -123 | 126.1 | 163.9 | -59.2 | -93.8 | 0 | 0 | 0 | 106.3 | K263 | K263-F265 HydrophobicContact CD-CE1 4.44Å; K263-F265 HydrophobicContact CD-CE2 4.16Å; K263-F265 HydrophobicContact CD-CZ 3.82Å; K263-F265 HydrophobicContact CG-CD2 4.47Å; K263-F265 HydrophobicContact CG-CE2 3.9Å; K263-F265 HydrophobicContact CG-CZ 4.07Å | ||
| 266 | I | 89.7 | Confident | 96.2 | Very high | 132 Ų | 132 | 96.3 Ų | 96.3 | 68% | 0.677 | 51% | 0.51 | S | S | * | . | trans | -81.8 | 140.6 | 171.1 | -56.6 | 173.2 | 0 | 0 | 0 | 106.7 | L210 | L210-I266 HydrophobicContact CB-CD1 4.48Å; L210-I266 HydrophobicContact CD1-CD1 4.35Å | ||
| 267 | A | 86 | Confident | 96 | Very high | 167 Ų | 167 | 94 Ų | 94 | 100% | 1.38 | 51% | 0.508 | S | S | * | . | trans | -136.2 | 0 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 267 of 267 residues in 65.9 ms
(Link to these results)