| 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 | 33.1 | Very low | 41.9 | Very low | 227 Ų | 227 | 164.9 Ų | 164.9 | 100% | 1.118 | 84% | 0.837 | S | S | * | * | 0 | 120.2 | 0 | -84.3 | 148.5 | 73.1 | 0 | 0 | 107.7 | |||||
| 2 | W | 33.7 | Very low | 42.2 | Very low | 249 Ų | 249 | 162.8 Ų | 162.8 | 94% | 0.943 | 84% | 0.839 | S | S | * | * | trans | 69 | 105.3 | 167.6 | -63.4 | 56.8 | 0 | 0 | 0 | 116.3 | ||||
| 3 | A | 39.1 | Very low | 42.4 | Very low | 101 Ų | 101 | 157.4 Ų | 157.4 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | 88.7 | 131.3 | 61.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 4 | G | 39.7 | Very low | 42.1 | Very low | 73 Ų | 73 | 158.4 Ų | 158.4 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | 124.4 | 74.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 5 | R | 49.8 | Very low | 41.9 | Very low | 248 Ų | 248 | 159.7 Ų | 159.7 | 94% | 0.936 | 82% | 0.822 | S | S | * | * | 45.6 | 103.6 | 84 | -91.4 | -173.3 | 173.7 | -135.1 | -0.6 | 115.3 | |||||
| 6 | L | 43.9 | Very low | 42 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | trans | 17.5 | 115.8 | 138.1 | -102.6 | 74.8 | 0 | 0 | 0 | 116.9 | F8 | L6-F8 HydrophobicContact CD2-CD2 3.77Å; L6-F8 HydrophobicContact CD2-CE2 3.81Å; L6-F8 HydrophobicContact CG-CD2 3.98Å; L6-F8 HydrophobicContact CG-CE2 4.06Å | ||
| 7 | L | 42.4 | Very low | 41.8 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | -125.8 | 100.6 | 145.5 | -158.3 | 77.9 | 0 | 0 | 0 | 108.1 | L9 | L7-L9 HydrophobicContact CD2-CD1 3.95Å; L7-L9 HydrophobicContact CD2-CG 4.42Å; L7-L9 HydrophobicContact CG-CD1 4.41Å; L7-L9 HydrophobicContact CG-CG 4.38Å | ||
| 8 | F | 43.8 | Very low | 41.9 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 79% | 0.789 | 82% | 0.818 | S | S | * | * | trans | -76.8 | 117 | 161.4 | -89.6 | -95.2 | 0 | 0 | 0 | 107.4 | L6 | L6-F8 HydrophobicContact CD2-CD2 3.77Å; L6-F8 HydrophobicContact CD2-CE2 3.81Å; L6-F8 HydrophobicContact CG-CD2 3.98Å; L6-F8 HydrophobicContact CG-CE2 4.06Å | ||
| 9 | L | 45.5 | Very low | 42.3 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | -134.1 | 101.1 | 158.5 | -77 | 175.4 | 0 | 0 | 0 | 110 | L7 | L7-L9 HydrophobicContact CD2-CD1 3.95Å; L7-L9 HydrophobicContact CD2-CG 4.42Å; L7-L9 HydrophobicContact CG-CD1 4.41Å; L7-L9 HydrophobicContact CG-CG 4.38Å | ||
| 10 | I | 44.4 | Very low | 42.6 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 54.9 | 116.2 | 134.8 | -44 | -171 | 0 | 0 | 0 | 118.5 | ||||
| 11 | L | 45.5 | Very low | 42.7 | Very low | 156 Ų | 156 | 152.7 Ų | 152.7 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | -52.8 | 131.3 | 162.5 | -70.4 | 122.2 | 0 | 0 | 0 | 112.6 | ||||
| 12 | T | 45.6 | Very low | 43.5 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -136.6 | 114.2 | 143 | 54.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 13 | S | 44.3 | Very low | 44.4 | Very low | 93 Ų | 93 | 147.2 Ų | 147.2 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | -73.2 | 158.3 | 174.5 | -55.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 14 | H | 38.4 | Very low | 45 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | 93.7 | 105.7 | 155.6 | -74.6 | -76.2 | 0 | 0 | 0 | 121.1 | ||||
| 15 | H | 39.9 | Very low | 45.4 | Very low | 178 Ų | 178 | 151.4 Ų | 151.4 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 91.4 | 122.4 | 132.7 | -106.1 | -70.6 | 0 | 0 | 0 | 121.5 | ||||
| 16 | A | 43.4 | Very low | 45.8 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | 87.6 | 106.7 | 150 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 17 | G | 38.5 | Very low | 46.2 | Very low | 70 Ų | 70 | 141.3 Ų | 141.3 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 129.9 | 130.2 | 139.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 18 | L | 42.5 | Very low | 46.4 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | 86.1 | 96.8 | 157 | -71.2 | 129 | 0 | 0 | 0 | 120.9 | ||||
| 19 | V | 51 | Low | 47.3 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | 43.4 | 102.2 | 114.5 | -173.1 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 20 | T | 47.3 | Very low | 47.9 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | 176.8 | 106.6 | 126.1 | 10.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 21 | R | 45.6 | Very low | 48.6 | Very low | 233 Ų | 233 | 139 Ų | 139 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -145 | 61.5 | 150.5 | -77.6 | -156.5 | 161.9 | -145.5 | -5.2 | 110.4 | L23 | R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 3.2Å | ||
| 22 | Y | 48.3 | Very low | 49.8 | Very low | 216 Ų | 216 | 136.1 Ų | 136.1 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -76.4 | 93.6 | 146.9 | -84.4 | -88 | 0 | 0 | 0 | 106.7 | ||||
| 23 | L | 52.6 | Low | 51.5 | Low | 144 Ų | 144 | 130.3 Ų | 130.3 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | -119.4 | 96.4 | 159.1 | -78.2 | 175.7 | 0 | 0 | 0 | 107.3 | R21 A25 | R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 3.2Å; L23-A25 PolarHBondContact O-N 3.35Å | ||
| 24 | L | 52.1 | Low | 53.1 | Low | 163 Ų | 163 | 130.1 Ų | 130.1 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -43.7 | 116.4 | 157.4 | -73.8 | 126.9 | 0 | 0 | 0 | 109.5 | ||||
| 25 | A | 48.7 | Very low | 54.8 | Low | 100 Ų | 100 | 128 Ų | 128 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -111.1 | 81.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | L23 G27 | L23-A25 PolarHBondContact O-N 3.35Å; A25-G27 PolarHBondContact O-N 3.44Å | ||
| 26 | A | 58.8 | Low | 56.5 | Low | 100 Ų | 100 | 125.3 Ų | 125.3 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | trans | -66 | 116.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 27 | G | 50.9 | Low | 58.3 | Low | 78 Ų | 78 | 122.5 Ų | 122.5 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | 170 | 47.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | A25 | A25-G27 PolarHBondContact O-N 3.44Š| ||
| 28 | S | 48 | Very low | 60.5 | Low | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | trans | -139.1 | 98.5 | 151.3 | 48.2 | 0 | 0 | 0 | 0 | 109.4 | A30 | S28-A30 VanDerWaalsContact C-N 3.34Å; S28-A30 PolarHBondContact O-N 2.7Å; S28-A30 VanDerWaalsContact O-N 3.09Å | ||
| 29 | R | 62.3 | Low | 62.6 | Low | 256 Ų | 256 | 117.1 Ų | 117.1 | 97% | 0.966 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -77.1 | 89.6 | 170.8 | -172 | 155.5 | 73 | -175.8 | 6.9 | 107.8 | ||
| 30 | A | 58.2 | Low | 64.5 | Low | 84 Ų | 84 | 111.4 Ų | 111.4 | 69% | 0.694 | 63% | 0.628 | S | S | * | * | trans | 164.2 | 74.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S28 | S28-A30 VanDerWaalsContact C-N 3.34Å; S28-A30 PolarHBondContact O-N 2.7Å; S28-A30 VanDerWaalsContact O-N 3.09Å | ||
| 31 | D | 59 | Low | 66.3 | Low | 137 Ų | 137 | 112 Ų | 112 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | trans | -113.6 | 58.5 | -178.4 | -128.4 | 26.6 | 0 | 0 | 0 | 109.8 | ||||
| 32 | S | 70.6 | Confident | 68 | Low | 94 Ų | 94 | 106.3 Ų | 106.3 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 135.5 | 154.6 | 50.2 | 0 | 0 | 0 | 0 | 107.1 | ||
| 33 | C | 80.1 | Confident | 69.6 | Low | 18 Ų | 18 | 98.9 Ų | 98.9 | 12% | 0.122 | 60% | 0.597 | C | S | . | * | P | Polyproline II helix | trans | -47.6 | 149.4 | 174.2 | -68 | 0 | 0 | 0 | 0 | 111.5 | T37 Q39 C46 | C33-T37 WeakPolarHBondContact CB-OG1 3.06Å; C33-Q39 HydrophobicContact CB-CB 4.25Å; C33-Q39 WeakPolarHBondContact SG-CB 3.38Å; C33-Q39 WeakPolarHBondContact SG-CG 3.22Å; C33-C46 HydrophobicContact CB-CB 3.82Å; C33-C46 WeakPolarHBondContact CB-SG 3.04Å; C33-C46 WeakPolarHBondContact SG-CB 3.07Å; C33-C46 CovalentContact SG-SG 2.03Å; C33-C46 PolarHBondContact SG-SG 2.83Å |
| 34 | P | 79.9 | Confident | 71 | Confident | 88 Ų | 88 | 93.6 Ų | 93.6 | 57% | 0.571 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 150.2 | 171.4 | -27 | 32.6 | 0 | 0 | 0 | 112.1 | D36 T37 | P34-D36 PolarHBondContact O-N 2.91Å; P34-T37 VanDerWaalsContact CD-OG1 3.29Å; P34-T37 WeakPolarHBondContact CD-OG1 3.47Å; P34-T37 PolarHBondContact O-N 2.93Å; P34-T37 PolarHBondContact O-OG1 2.97Å |
| 35 | T | 72.3 | Confident | 72.7 | Confident | 128 Ų | 128 | 92.6 Ų | 92.6 | 79% | 0.785 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -20.5 | -172.9 | 49.4 | 0 | 0 | 0 | 0 | 114.7 | L49 | T35-L49 WeakPolarHBondContact O-CD1 3.31Š|
| 36 | D | 76.8 | Confident | 74.5 | Confident | 121 Ų | 121 | 90 Ų | 90 | 65% | 0.647 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 13.4 | -178.5 | -54.6 | -31.8 | 0 | 0 | 0 | 113.2 | P34 L49 | P34-D36 PolarHBondContact O-N 2.91Å; D36-L49 WeakPolarHBondContact O-CG 3.31Å; D36-L49 PolarHBondContact O-N 3.39Å; D36-L49 VanDerWaalsContact O-N 3.07Å |
| 37 | T | 81.2 | Confident | 75.7 | Confident | 38 Ų | 38 | 85.2 Ų | 85.2 | 23% | 0.233 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.7 | -177.4 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | C33 P34 V47 | C33-T37 WeakPolarHBondContact CB-OG1 3.06Å; P34-T37 VanDerWaalsContact CD-OG1 3.29Å; P34-T37 WeakPolarHBondContact CD-OG1 3.47Å; P34-T37 PolarHBondContact O-N 2.93Å; P34-T37 PolarHBondContact O-OG1 2.97Å; T37-V47 CarbonylContact C-O 3.52Å; T37-V47 WeakPolarHBondContact CA-O 3.5Å; T37-V47 WeakPolarHBondContact CB-O 3.27Å |
| 38 | F | 83.9 | Confident | 77.2 | Confident | 38 Ų | 38 | 83.6 Ų | 83.6 | 17% | 0.167 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 137.6 | 172.7 | 175.3 | -105.4 | 0 | 0 | 0 | 110.5 | C46 V47 L49 R52 S63 D64 | F38-C46 CarbonylContact O-C 3.53Å; F38-C46 VanDerWaalsContact O-CA 3.27Å; F38-C46 WeakPolarHBondContact O-CA 3.07Å; F38-V47 HydrophobicContact CB-CG2 3.92Å; F38-V47 HydrophobicContact CD1-CG2 3.87Å; F38-V47 HydrophobicContact CG-CG2 4.41Å; F38-V47 PolarHBondContact N-O 2.98Å; F38-V47 PolarHBondContact O-N 3.26Å; F38-L49 HydrophobicContact CB-CD2 4.09Å; F38-R52 HydrophobicContact CB-CB 4.34Å; F38-R52 HydrophobicContact CD2-CG 4.48Å; F38-R52 HydrophobicContact CG-CB 4.46Å; F38-R52 HydrophobicContact CG-CG 4.32Å; F38-S63 WeakPolarHBondContact CE1-O 3.29Å; F38-S63 WeakPolarHBondContact CZ-O 3.24Å; F38-D64 HydrophobicContact CD1-CB 4.22Å; F38-D64 HydrophobicContact CE1-CB 4.24Å |
| 39 | Q | 88.1 | Confident | 78.5 | Confident | 83 Ų | 83 | 82 Ų | 82 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.4 | 176.7 | -168.6 | 162.5 | 25.7 | 0 | 0 | 110.4 | C33 L41 G44 Y45 | C33-Q39 HydrophobicContact CB-CB 4.25Å; C33-Q39 WeakPolarHBondContact SG-CB 3.38Å; C33-Q39 WeakPolarHBondContact SG-CG 3.22Å; Q39-L41 PolarHBondContact O-N 3.03Å; Q39-G44 PolarHBondContact NE2-O 3.04Å; Q39-Y45 WeakPolarHBondContact CA-O 3.37Å |
| 40 | C | 89.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.014 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 135.8 | 173.4 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | T42 S43 G44 Y45 C59 S63 | C40-T42 PolarHBondContact O-N 3.44Å; C40-S43 WeakPolarHBondContact CB-OG 3.4Å; C40-G44 VanDerWaalsContact O-CA 3.31Å; C40-G44 WeakPolarHBondContact O-CA 2.94Å; C40-G44 PolarHBondContact O-N 2.81Å; C40-Y45 WeakPolarHBondContact CB-O 3.2Å; C40-Y45 PolarHBondContact N-O 2.76Å; C40-Y45 PolarHBondContact SG-O 2.84Å; C40-C59 VanDerWaalsContact CA-SG 3.55Å; C40-C59 HydrophobicContact CB-CB 3.75Å; C40-C59 WeakPolarHBondContact CB-SG 3.38Å; C40-C59 VanDerWaalsContact SG-CA 3.56Å; C40-C59 WeakPolarHBondContact SG-CB 3.49Å; C40-C59 CovalentContact SG-SG 2.03Å; C40-C59 PolarHBondContact SG-SG 3.4Å; C40-S63 VanDerWaalsContact CA-OG 3.28Å; C40-S63 WeakPolarHBondContact CA-OG 3.49Å |
| 41 | L | 85.3 | Confident | 80 | Confident | 137 Ų | 137 | 74.6 Ų | 74.6 | 72% | 0.717 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -44 | -171.2 | -72.3 | 165.7 | 0 | 0 | 0 | 112.8 | Q39 S63 | Q39-L41 PolarHBondContact O-N 3.03Å; L41-S63 VanDerWaalsContact CD1-CB 3.46Å; L41-S63 PolarHBondContact N-OG 3.32Å |
| 42 | T | 82.1 | Confident | 80.9 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 71% | 0.706 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -45.3 | -173.4 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | C40 D61 | C40-T42 PolarHBondContact O-N 3.44Å; T42-D61 WeakPolarHBondContact CB-OD2 3.01Å; T42-D61 PolarHBondContact N-OD2 2.04Å; T42-D61 PolarHBondContact OG1-OD2 3.41Å |
| 43 | S | 81.8 | Confident | 81.2 | Confident | 59 Ų | 59 | 65.1 Ų | 65.1 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -20.2 | -175 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | C40 Y45 | C40-S43 WeakPolarHBondContact CB-OG 3.4Å; S43-Y45 PolarHBondContact O-N 3.29Å; S43-Y45 WeakPolarHBondContact OG-CB 3.48Å; S43-Y45 PolarHBondContact OG-N 3.25Å |
| 44 | G | 81.8 | Confident | 80.8 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 34% | 0.34 | 37% | 0.369 | S | S | . | . | trans | 66.3 | 7.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q39 C40 | Q39-G44 PolarHBondContact NE2-O 3.04Å; C40-G44 VanDerWaalsContact O-CA 3.31Å; C40-G44 WeakPolarHBondContact O-CA 2.94Å; C40-G44 PolarHBondContact O-N 2.81Å | ||
| 45 | Y | 86.3 | Confident | 80.2 | Confident | 142 Ų | 142 | 63.1 Ų | 63.1 | 56% | 0.557 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 143.9 | 177 | -178.7 | -109.4 | 0 | 0 | 0 | 110.4 | Q39 C40 S43 V47 | Q39-Y45 WeakPolarHBondContact CA-O 3.37Å; C40-Y45 WeakPolarHBondContact CB-O 3.2Å; C40-Y45 PolarHBondContact N-O 2.76Å; C40-Y45 PolarHBondContact SG-O 2.84Å; S43-Y45 PolarHBondContact O-N 3.29Å; S43-Y45 WeakPolarHBondContact OG-CB 3.48Å; S43-Y45 PolarHBondContact OG-N 3.25Å; Y45-V47 HydrophobicContact CD1-CG1 3.76Å; Y45-V47 HydrophobicContact CE1-CG1 3.73Å |
| 46 | C | 87.8 | Confident | 80.3 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 31% | 0.311 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.6 | 179.5 | -50.6 | 0 | 0 | 0 | 0 | 109.5 | C33 F38 | C33-C46 HydrophobicContact CB-CB 3.82Å; C33-C46 WeakPolarHBondContact CB-SG 3.04Å; C33-C46 WeakPolarHBondContact SG-CB 3.07Å; C33-C46 CovalentContact SG-SG 2.03Å; C33-C46 PolarHBondContact SG-SG 2.83Å; F38-C46 CarbonylContact O-C 3.53Å; F38-C46 VanDerWaalsContact O-CA 3.27Å; F38-C46 WeakPolarHBondContact O-CA 3.07Å |
| 47 | V | 84.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 151.2 | 168.7 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | T37 F38 Y45 W51 D58 D64 | T37-V47 CarbonylContact C-O 3.52Å; T37-V47 WeakPolarHBondContact CA-O 3.5Å; T37-V47 WeakPolarHBondContact CB-O 3.27Å; F38-V47 HydrophobicContact CB-CG2 3.92Å; F38-V47 HydrophobicContact CD1-CG2 3.87Å; F38-V47 HydrophobicContact CG-CG2 4.41Å; F38-V47 PolarHBondContact N-O 2.98Å; F38-V47 PolarHBondContact O-N 3.26Å; Y45-V47 HydrophobicContact CD1-CG1 3.76Å; Y45-V47 HydrophobicContact CE1-CG1 3.73Å; V47-W51 HydrophobicContact CB-CB 4.43Å; V47-W51 HydrophobicContact CB-CE3 4.1Å; V47-W51 HydrophobicContact CG1-CE3 4.28Å; V47-D58 HydrophobicContact CG1-CB 3.97Å; V47-D64 HydrophobicContact CG2-CB 4.36Å |
| 48 | P | 82.6 | Confident | 80.9 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 29% | 0.286 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.9 | 142.2 | 168.7 | -25.5 | 35.4 | 0 | 0 | 0 | 111.8 | S50 W51 | P48-S50 WeakPolarHBondContact CB-OG 3.42Å; P48-S50 PolarHBondContact O-N 3.19Å; P48-S50 VanDerWaalsContact O-N 3.15Å; P48-W51 HydrophobicContact CB-CD2 4.23Å; P48-W51 HydrophobicContact CB-CG 4.1Å; P48-W51 VanDerWaalsContact CD-CD2 3.49Å; P48-W51 HydrophobicContact CG-CD2 3.74Å; P48-W51 HydrophobicContact CG-CE3 4.08Å; P48-W51 HydrophobicContact CG-CG 4.15Å; P48-W51 HydrophobicContact CG-CH2 4.41Å; P48-W51 HydrophobicContact CG-CZ2 4.13Å; P48-W51 HydrophobicContact CG-CZ3 4.39Å; P48-W51 WeakPolarHBondContact O-CB 3.13Å; P48-W51 PolarHBondContact O-N 3.01Å |
| 49 | L | 75.3 | Confident | 81.1 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -58.6 | -26.9 | 173.6 | -78.8 | 171.3 | 0 | 0 | 0 | 112.3 | T35 D36 F38 W51 R52 P86 | T35-L49 WeakPolarHBondContact O-CD1 3.31Å; D36-L49 WeakPolarHBondContact O-CG 3.31Å; D36-L49 PolarHBondContact O-N 3.39Å; D36-L49 VanDerWaalsContact O-N 3.07Å; F38-L49 HydrophobicContact CB-CD2 4.09Å; L49-W51 PolarHBondContact O-N 2.85Å; L49-R52 PolarHBondContact O-N 3.45Å; L49-P86 HydrophobicContact CB-CG 4.41Å; L49-P86 HydrophobicContact CD2-CG 4.39Å; L49-P86 WeakPolarHBondContact O-CB 3.2Å; L49-P86 WeakPolarHBondContact O-CG 3.26Å |
| 50 | S | 70.6 | Confident | 81 | Confident | 86 Ų | 86 | 63.4 Ų | 63.4 | 60% | 0.601 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -64.3 | -18 | 174.7 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | P48 | P48-S50 WeakPolarHBondContact CB-OG 3.42Å; P48-S50 PolarHBondContact O-N 3.19Å; P48-S50 VanDerWaalsContact O-N 3.15Å |
| 51 | W | 80.1 | Confident | 80.7 | Confident | 100 Ų | 100 | 65.7 Ų | 65.7 | 38% | 0.379 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -97.1 | 0.4 | 179.1 | -61.9 | -7.6 | 0 | 0 | 0 | 112.8 | V47 P48 L49 D54 D58 | V47-W51 HydrophobicContact CB-CB 4.43Å; V47-W51 HydrophobicContact CB-CE3 4.1Å; V47-W51 HydrophobicContact CG1-CE3 4.28Å; P48-W51 HydrophobicContact CB-CD2 4.23Å; P48-W51 HydrophobicContact CB-CG 4.1Å; P48-W51 VanDerWaalsContact CD-CD2 3.49Å; P48-W51 HydrophobicContact CG-CD2 3.74Å; P48-W51 HydrophobicContact CG-CE3 4.08Å; P48-W51 HydrophobicContact CG-CG 4.15Å; P48-W51 HydrophobicContact CG-CH2 4.41Å; P48-W51 HydrophobicContact CG-CZ2 4.13Å; P48-W51 HydrophobicContact CG-CZ3 4.39Å; P48-W51 WeakPolarHBondContact O-CB 3.13Å; P48-W51 PolarHBondContact O-N 3.01Å; L49-W51 PolarHBondContact O-N 2.85Å; W51-D54 WeakPolarHBondContact CA-OD2 3.4Å; W51-D58 WeakPolarHBondContact CB-OD2 3.48Å; W51-D58 HydrophobicContact CE3-CB 3.84Å; W51-D58 VanDerWaalsContact CE3-CG 3.47Å; W51-D58 HydrophobicContact CZ3-CB 4.47Å |
| 52 | R | 78.1 | Confident | 80.5 | Confident | 21 Ų | 21 | 59.3 Ų | 59.3 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 124.4 | 174.1 | -177.4 | -178.3 | -171.6 | -85.4 | -8.8 | 108 | F38 L49 D54 D64 E66 D67 L85 P86 | F38-R52 HydrophobicContact CB-CB 4.34Å; F38-R52 HydrophobicContact CD2-CG 4.48Å; F38-R52 HydrophobicContact CG-CB 4.46Å; F38-R52 HydrophobicContact CG-CG 4.32Å; L49-R52 PolarHBondContact O-N 3.45Å; R52-D54 VanDerWaalsContact C-N 3.31Å; R52-D64 WeakPolarHBondContact CG-O 3.41Å; R52-E66 PolarHBondContact NH2-O 2.02Å; R52-D67 PolarHBondContact NH2-O 3.1Å; R52-L85 VanDerWaalsContact NH1-CD2 3.33Å; R52-P86 HydrophobicContact CB-CG 3.67Å; R52-P86 HydrophobicContact CG-CG 4.14Å |
| 53 | C | 76.7 | Confident | 80.7 | Confident | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 30.6 | -177.7 | -54.6 | 0 | 0 | 0 | 0 | 112.7 | D64 E65 C68 S88 | C53-D64 PolarHBondContact N-O 3.5Å; C53-E65 WeakPolarHBondContact CA-OE1 3.44Å; C53-E65 WeakPolarHBondContact CA-OE2 3.2Å; C53-E65 PolarHBondContact N-OE1 3.21Å; C53-C68 VanDerWaalsContact CA-SG 3.54Å; C53-C68 HydrophobicContact CB-CB 3.75Å; C53-C68 WeakPolarHBondContact CB-SG 3.49Å; C53-C68 WeakPolarHBondContact SG-CA 3.49Å; C53-C68 WeakPolarHBondContact SG-CB 3.21Å; C53-C68 CovalentContact SG-SG 2.02Å; C53-C68 PolarHBondContact SG-SG 3.28Å; C53-S88 WeakPolarHBondContact O-CB 3.24Å; C53-S88 PolarHBondContact O-N 2.78Å |
| 54 | D | 73.2 | Confident | 80.7 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 17% | 0.171 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -89.5 | -3.7 | -176.5 | 80.9 | -9.3 | 0 | 0 | 0 | 114.6 | W51 R52 D56 E65 | W51-D54 WeakPolarHBondContact CA-OD2 3.4Å; R52-D54 VanDerWaalsContact C-N 3.31Å; D54-D56 PolarHBondContact OD1-N 3.19Å; D54-E65 PolarHBondContact N-OE1 3.31Å; D54-E65 PolarHBondContact N-OE2 2.94Å |
| 55 | G | 66.1 | Low | 80.8 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 32% | 0.32 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 92.6 | -6.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E65 | G55-E65 WeakPolarHBondContact CA-OE2 3.43Å; G55-E65 PolarHBondContact N-OE2 3.39Å |
| 56 | D | 75.5 | Confident | 80.3 | Confident | 109 Ų | 109 | 51.2 Ų | 51.2 | 58% | 0.583 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -105.1 | 144.5 | 172.8 | -76.9 | -40.8 | 0 | 0 | 0 | 110.7 | D54 D58 E65 | D54-D56 PolarHBondContact OD1-N 3.19Å; D56-D58 PolarHBondContact O-N 2.82Å; D56-E65 VanDerWaalsContact O-CD 3.27Å; D56-E65 WeakPolarHBondContact O-CG 3.29Å |
| 57 | Q | 83.8 | Confident | 79.5 | Confident | 143 Ų | 143 | 55.2 Ų | 55.2 | 67% | 0.668 | 30% | 0.302 | S | S | * | . | trans | -88.7 | 90.9 | 175.7 | 175.1 | 169.4 | 80.4 | 0 | 0 | 109.4 | C59 | Q57-C59 WeakPolarHBondContact CG-O 3.37Š| ||
| 58 | D | 86.6 | Confident | 78.8 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 33% | 0.326 | 32% | 0.315 | S | S | . | . | trans | -89.4 | -31.2 | 175.9 | -71.9 | -57.5 | 0 | 0 | 0 | 112.5 | V47 W51 D56 D64 | V47-D58 HydrophobicContact CG1-CB 3.97Å; W51-D58 WeakPolarHBondContact CB-OD2 3.48Å; W51-D58 HydrophobicContact CE3-CB 3.84Å; W51-D58 VanDerWaalsContact CE3-CG 3.47Å; W51-D58 HydrophobicContact CZ3-CB 4.47Å; D56-D58 PolarHBondContact O-N 2.82Å; D58-D64 VanDerWaalsContact CA-OD2 3.25Å; D58-D64 WeakPolarHBondContact CA-OD2 3.16Å; D58-D64 VanDerWaalsContact CB-OD2 3.22Å; D58-D64 WeakPolarHBondContact CB-OD2 3.49Å; D58-D64 PolarHBondContact N-OD2 3.11Å | ||
| 59 | C | 88.1 | Confident | 77.5 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -75.9 | 135.8 | 167.3 | -68.6 | 0 | 0 | 0 | 0 | 110.6 | C40 Q57 D61 G62 D64 | C40-C59 VanDerWaalsContact CA-SG 3.55Å; C40-C59 HydrophobicContact CB-CB 3.75Å; C40-C59 WeakPolarHBondContact CB-SG 3.38Å; C40-C59 VanDerWaalsContact SG-CA 3.56Å; C40-C59 WeakPolarHBondContact SG-CB 3.49Å; C40-C59 CovalentContact SG-SG 2.03Å; C40-C59 PolarHBondContact SG-SG 3.4Å; Q57-C59 WeakPolarHBondContact CG-O 3.37Å; C59-D61 VanDerWaalsContact CB-OD1 3.3Å; C59-D61 WeakPolarHBondContact CB-OD1 3.46Å; C59-D61 PolarHBondContact O-N 3.19Å; C59-G62 PolarHBondContact O-N 2.99Å; C59-D64 HydrophobicContact CB-CB 4.25Å; C59-D64 WeakPolarHBondContact CB-OD1 2.92Å; C59-D64 VanDerWaalsContact N-CG 3.34Å; C59-D64 PolarHBondContact N-OD1 3.45Å; C59-D64 PolarHBondContact N-OD2 3.12Å |
| 60 | S | 86.1 | Confident | 76.3 | Confident | 100 Ų | 100 | 67.6 Ų | 67.6 | 70% | 0.699 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.6 | 177.3 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 61 | D | 84.1 | Confident | 75.1 | Confident | 51 Ų | 51 | 70 Ų | 70 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 2.6 | 176.3 | 64.5 | -28.3 | 0 | 0 | 0 | 113.5 | T42 C59 S63 | T42-D61 WeakPolarHBondContact CB-OD2 3.01Å; T42-D61 PolarHBondContact N-OD2 2.04Å; T42-D61 PolarHBondContact OG1-OD2 3.41Å; C59-D61 VanDerWaalsContact CB-OD1 3.3Å; C59-D61 WeakPolarHBondContact CB-OD1 3.46Å; C59-D61 PolarHBondContact O-N 3.19Å; D61-S63 VanDerWaalsContact CG-OG 3.27Å; D61-S63 PolarHBondContact O-N 3.01Å; D61-S63 WeakPolarHBondContact OD1-CB 3.4Å; D61-S63 PolarHBondContact OD1-OG 2.04Å; D61-S63 WeakPolarHBondContact OD2-CB 2.85Å; D61-S63 PolarHBondContact OD2-OG 3.48Å |
| 62 | G | 81 | Confident | 73.2 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 69 | 11.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | C59 D64 E65 E66 | C59-G62 PolarHBondContact O-N 2.99Å; G62-D64 WeakPolarHBondContact CA-OD1 3.13Å; G62-D64 PolarHBondContact O-N 2.75Å; G62-E65 PolarHBondContact O-N 2.63Å; G62-E66 WeakPolarHBondContact O-CG 2.73Å |
| 63 | S | 84.4 | Confident | 71.4 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 3% | 0.028 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.9 | -173.6 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | F38 C40 L41 D61 E65 | F38-S63 WeakPolarHBondContact CE1-O 3.29Å; F38-S63 WeakPolarHBondContact CZ-O 3.24Å; C40-S63 VanDerWaalsContact CA-OG 3.28Å; C40-S63 WeakPolarHBondContact CA-OG 3.49Å; L41-S63 VanDerWaalsContact CD1-CB 3.46Å; L41-S63 PolarHBondContact N-OG 3.32Å; D61-S63 VanDerWaalsContact CG-OG 3.27Å; D61-S63 PolarHBondContact O-N 3.01Å; D61-S63 WeakPolarHBondContact OD1-CB 3.4Å; D61-S63 PolarHBondContact OD1-OG 2.04Å; D61-S63 WeakPolarHBondContact OD2-CB 2.85Å; D61-S63 PolarHBondContact OD2-OG 3.48Å; S63-E65 VanDerWaalsContact C-N 3.29Å |
| 64 | D | 82.4 | Confident | 69.7 | Low | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -30 | 168.5 | 49.8 | -25.5 | 0 | 0 | 0 | 112.9 | F38 V47 R52 C53 D58 C59 G62 | F38-D64 HydrophobicContact CD1-CB 4.22Å; F38-D64 HydrophobicContact CE1-CB 4.24Å; V47-D64 HydrophobicContact CG2-CB 4.36Å; R52-D64 WeakPolarHBondContact CG-O 3.41Å; C53-D64 PolarHBondContact N-O 3.5Å; D58-D64 VanDerWaalsContact CA-OD2 3.25Å; D58-D64 WeakPolarHBondContact CA-OD2 3.16Å; D58-D64 VanDerWaalsContact CB-OD2 3.22Å; D58-D64 WeakPolarHBondContact CB-OD2 3.49Å; D58-D64 PolarHBondContact N-OD2 3.11Å; C59-D64 HydrophobicContact CB-CB 4.25Å; C59-D64 WeakPolarHBondContact CB-OD1 2.92Å; C59-D64 VanDerWaalsContact N-CG 3.34Å; C59-D64 PolarHBondContact N-OD1 3.45Å; C59-D64 PolarHBondContact N-OD2 3.12Å; G62-D64 WeakPolarHBondContact CA-OD1 3.13Å; G62-D64 PolarHBondContact O-N 2.75Å |
| 65 | E | 83.8 | Confident | 68.1 | Low | 53 Ų | 53 | 78.7 Ų | 78.7 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -96.7 | 5.6 | -179.9 | -60.1 | -53.8 | 105.8 | 0 | 0 | 113.2 | C53 D54 G55 D56 G62 S63 C68 | C53-E65 WeakPolarHBondContact CA-OE1 3.44Å; C53-E65 WeakPolarHBondContact CA-OE2 3.2Å; C53-E65 PolarHBondContact N-OE1 3.21Å; D54-E65 PolarHBondContact N-OE1 3.31Å; D54-E65 PolarHBondContact N-OE2 2.94Å; G55-E65 WeakPolarHBondContact CA-OE2 3.43Å; G55-E65 PolarHBondContact N-OE2 3.39Å; D56-E65 VanDerWaalsContact O-CD 3.27Å; D56-E65 WeakPolarHBondContact O-CG 3.29Å; G62-E65 PolarHBondContact O-N 2.63Å; S63-E65 VanDerWaalsContact C-N 3.29Å; E65-C68 VanDerWaalsContact C-SG 3.59Å; E65-C68 PolarHBondContact O-SG 3.48Å |
| 66 | E | 76.9 | Confident | 66.8 | Low | 122 Ų | 122 | 83.7 Ų | 83.7 | 57% | 0.57 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -101.1 | 148 | -179.4 | -63.6 | -70.2 | 156.6 | 0 | 0 | 111.9 | R52 G62 C68 | R52-E66 PolarHBondContact NH2-O 2.02Å; G62-E66 WeakPolarHBondContact O-CG 2.73Å; E66-C68 VanDerWaalsContact C-N 3.31Å; E66-C68 PolarHBondContact O-N 3.3Å |
| 67 | D | 70 | Confident | 65.4 | Low | 130 Ų | 130 | 80.6 Ų | 80.6 | 70% | 0.695 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 53.7 | 46.9 | -177.9 | -164.3 | 33.6 | 0 | 0 | 0 | 112.9 | R52 | R52-D67 PolarHBondContact NH2-O 3.1Š|
| 68 | C | 70.4 | Confident | 63.3 | Low | 39 Ų | 39 | 80.5 Ų | 80.5 | 26% | 0.264 | 44% | 0.437 | S | S | . | . | trans | -83.2 | 126 | 171.3 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | C53 E65 E66 I70 | C53-C68 VanDerWaalsContact CA-SG 3.54Å; C53-C68 HydrophobicContact CB-CB 3.75Å; C53-C68 WeakPolarHBondContact CB-SG 3.49Å; C53-C68 WeakPolarHBondContact SG-CA 3.49Å; C53-C68 WeakPolarHBondContact SG-CB 3.21Å; C53-C68 CovalentContact SG-SG 2.02Å; C53-C68 PolarHBondContact SG-SG 3.28Å; E65-C68 VanDerWaalsContact C-SG 3.59Å; E65-C68 PolarHBondContact O-SG 3.48Å; E66-C68 VanDerWaalsContact C-N 3.31Å; E66-C68 PolarHBondContact O-N 3.3Å; C68-I70 PolarHBondContact O-N 3.24Å; C68-I70 VanDerWaalsContact O-N 3.08Å | ||
| 69 | R | 54.7 | Low | 61.1 | Low | 154 Ų | 154 | 79.5 Ų | 79.5 | 58% | 0.581 | 43% | 0.434 | S | S | * | . | trans | -71.7 | 105.3 | 169.5 | -80.1 | -174.8 | 164.6 | 76.6 | 5.2 | 107.9 | E71 | R69-E71 PolarHBondContact O-N 2.86Š| ||
| 70 | I | 50 | Low | 58.9 | Low | 169 Ų | 169 | 86.2 Ų | 86.2 | 87% | 0.867 | 47% | 0.466 | S | S | * | . | trans | -75.8 | 68.2 | 165.6 | -47.6 | 177.3 | 0 | 0 | 0 | 107.3 | C68 | C68-I70 PolarHBondContact O-N 3.24Å; C68-I70 VanDerWaalsContact O-N 3.08Å | ||
| 71 | E | 45.5 | Very low | 56.7 | Low | 137 Ų | 137 | 87.7 Ų | 87.7 | 64% | 0.64 | 47% | 0.473 | S | S | * | . | trans | -78.8 | 138.4 | 162.4 | -76.1 | -166.8 | -178 | 0 | 0 | 108.4 | R69 C73 | R69-E71 PolarHBondContact O-N 2.86Å; E71-C73 PolarHBondContact O-N 2.84Å | ||
| 72 | S | 40.7 | Very low | 54.8 | Low | 112 Ų | 112 | 92.8 Ų | 92.8 | 78% | 0.783 | 50% | 0.495 | S | S | * | . | trans | -54.7 | 113.6 | 178 | -41.9 | 0 | 0 | 0 | 0 | 108.8 | A74 | S72-A74 PolarHBondContact O-N 3.47Š| ||
| 73 | C | 39.9 | Very low | 53 | Low | 45 Ų | 45 | 97.1 Ų | 97.1 | 30% | 0.304 | 52% | 0.524 | S | S | . | . | trans | -49.6 | 126.3 | 177.5 | -60 | 0 | 0 | 0 | 0 | 108.7 | E71 C89 | E71-C73 PolarHBondContact O-N 2.84Å; C73-C89 HydrophobicContact CB-CB 4.33Å; C73-C89 WeakPolarHBondContact CB-SG 3.47Å; C73-C89 WeakPolarHBondContact SG-CB 3.45Å; C73-C89 CovalentContact SG-SG 2.06Å; C73-C89 PolarHBondContact SG-SG 3.31Å | ||
| 74 | A | 40.3 | Very low | 51.3 | Low | 40 Ų | 40 | 101.9 Ų | 101.9 | 33% | 0.331 | 56% | 0.564 | S | S | . | * | B | Isolated β-bridge | trans | -63.1 | 154.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | S72 N76 G77 Q78 | S72-A74 PolarHBondContact O-N 3.47Å; A74-N76 PolarHBondContact O-N 3.28Å; A74-G77 PolarHBondContact O-N 2.61Å; A74-Q78 WeakPolarHBondContact CB-O 3.42Å; A74-Q78 PolarHBondContact N-O 3.31Å |
| 75 | Q | 40.5 | Very low | 49.5 | Very low | 148 Ų | 148 | 105.1 Ų | 105.1 | 69% | 0.692 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.1 | 1.7 | -160.4 | -74.4 | 175.4 | -9.8 | 0 | 0 | 119.7 | S106 | Q75-S106 PolarHBondContact O-OG 3.1Š|
| 76 | N | 38.7 | Very low | 47.5 | Very low | 137 Ų | 137 | 104.4 Ų | 104.4 | 73% | 0.733 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | 23 | -177.4 | -73 | -9.9 | 0 | 0 | 0 | 114.2 | A74 Q78 | A74-N76 PolarHBondContact O-N 3.28Å; N76-Q78 PolarHBondContact O-N 2.94Å |
| 77 | G | 46.5 | Very low | 46 | Very low | 43 Ų | 43 | 101.5 Ų | 101.5 | 44% | 0.443 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 64.4 | 24.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A74 | A74-G77 PolarHBondContact O-N 2.61Š|
| 78 | Q | 37.8 | Very low | 44.8 | Very low | 141 Ų | 141 | 97.2 Ų | 97.2 | 66% | 0.659 | 55% | 0.554 | S | S | * | * | B | Isolated β-bridge | trans | -124.1 | 128.8 | 175.9 | -67.7 | -177.9 | -16.8 | 0 | 0 | 108.4 | A74 N76 | A74-Q78 WeakPolarHBondContact CB-O 3.42Å; A74-Q78 PolarHBondContact N-O 3.31Å; N76-Q78 PolarHBondContact O-N 2.94Å |
| 79 | C | 41.6 | Very low | 43.8 | Very low | 40 Ų | 40 | 96.9 Ų | 96.9 | 27% | 0.27 | 55% | 0.551 | S | S | . | * | trans | -77.4 | 146 | 170.3 | -45.1 | 0 | 0 | 0 | 0 | 110 | C87 | C79-C87 HydrophobicContact CB-CB 3.91Å; C79-C87 WeakPolarHBondContact CB-SG 3.25Å; C79-C87 WeakPolarHBondContact SG-CB 3.45Å; C79-C87 CovalentContact SG-SG 2Å; C79-C87 PolarHBondContact SG-SG 2.85Å | ||
| 80 | Q | 41.3 | Very low | 43.3 | Very low | 143 Ų | 143 | 96 Ų | 96 | 67% | 0.668 | 56% | 0.558 | S | S | * | * | trans | -62.6 | 134.9 | 169.8 | -84.5 | 176.2 | -94.6 | 0 | 0 | 109.4 | Q82 | Q80-Q82 PolarHBondContact O-N 3.2Š| ||
| 81 | P | 41 | Very low | 43.1 | Very low | 131 Ų | 131 | 92.9 Ų | 92.9 | 85% | 0.851 | 54% | 0.543 | S | S | * | . | trans | -79.5 | 77.6 | -178.1 | 33.1 | -33.4 | 0 | 0 | 0 | 108.5 | ||||
| 82 | Q | 44 | Very low | 43.2 | Very low | 158 Ų | 158 | 90.5 Ų | 90.5 | 74% | 0.738 | 53% | 0.534 | S | S | * | . | trans | -123 | 114.5 | 166.8 | -61.7 | -157.7 | -26.2 | 0 | 0 | 108.3 | Q80 | Q80-Q82 PolarHBondContact O-N 3.2Š| ||
| 83 | S | 42.8 | Very low | 43.1 | Very low | 93 Ų | 93 | 90.1 Ų | 90.1 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 70.5 | 98.1 | 172.8 | 30.6 | 0 | 0 | 0 | 0 | 117.6 | L85 | S83-L85 PolarHBondContact O-N 2.95Š|
| 84 | A | 47.6 | Very low | 43.2 | Very low | 104 Ų | 104 | 91 Ų | 91 | 86% | 0.86 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 44.7 | 3.2 | 139 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||
| 85 | L | 45 | Very low | 43.2 | Very low | 69 Ų | 69 | 92.9 Ų | 92.9 | 36% | 0.361 | 56% | 0.558 | S | S | . | * | trans | -122.5 | 125.4 | 177.1 | -86.2 | 77.8 | 0 | 0 | 0 | 108.8 | R52 S83 | R52-L85 VanDerWaalsContact NH1-CD2 3.33Å; S83-L85 PolarHBondContact O-N 2.95Å | ||
| 86 | P | 42.7 | Very low | 43 | Very low | 37 Ų | 37 | 90 Ų | 90 | 24% | 0.24 | 55% | 0.554 | C | S | . | * | trans | -66.8 | 146.7 | 170.6 | 30 | -33.8 | 0 | 0 | 0 | 109.5 | L49 R52 | L49-P86 HydrophobicContact CB-CG 4.41Å; L49-P86 HydrophobicContact CD2-CG 4.39Å; L49-P86 WeakPolarHBondContact O-CB 3.2Å; L49-P86 WeakPolarHBondContact O-CG 3.26Å; R52-P86 HydrophobicContact CB-CG 3.67Å; R52-P86 HydrophobicContact CG-CG 4.14Å | ||
| 87 | C | 45.6 | Very low | 43 | Very low | 61 Ų | 61 | 89.9 Ų | 89.9 | 41% | 0.412 | 55% | 0.553 | S | S | . | * | trans | -123 | 147.4 | 178.7 | 70.8 | 0 | 0 | 0 | 0 | 109.4 | C79 | C79-C87 HydrophobicContact CB-CB 3.91Å; C79-C87 WeakPolarHBondContact CB-SG 3.25Å; C79-C87 WeakPolarHBondContact SG-CB 3.45Å; C79-C87 CovalentContact SG-SG 2Å; C79-C87 PolarHBondContact SG-SG 2.85Å | ||
| 88 | S | 43.8 | Very low | 43.1 | Very low | 40 Ų | 40 | 94.4 Ų | 94.4 | 28% | 0.28 | 57% | 0.572 | S | S | . | * | trans | -123.9 | 148 | 163.9 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | C53 D90 | C53-S88 WeakPolarHBondContact O-CB 3.24Å; C53-S88 PolarHBondContact O-N 2.78Å; S88-D90 WeakPolarHBondContact OG-CB 3.49Å; S88-D90 PolarHBondContact OG-N 3.16Å; S88-D90 PolarHBondContact OG-OD2 2.99Å | ||
| 89 | C | 49.2 | Very low | 43.4 | Very low | 32 Ų | 32 | 92.3 Ų | 92.3 | 22% | 0.216 | 57% | 0.573 | C | S | . | * | trans | -109.9 | 12.2 | 175.2 | -55.7 | 0 | 0 | 0 | 0 | 111 | C73 | C73-C89 HydrophobicContact CB-CB 4.33Å; C73-C89 WeakPolarHBondContact CB-SG 3.47Å; C73-C89 WeakPolarHBondContact SG-CB 3.45Å; C73-C89 CovalentContact SG-SG 2.06Å; C73-C89 PolarHBondContact SG-SG 3.31Å | ||
| 90 | D | 44.8 | Very low | 43.3 | Very low | 136 Ų | 136 | 97.3 Ų | 97.3 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -85.3 | -6.9 | -167.5 | -68.5 | -34.8 | 0 | 0 | 0 | 114.9 | S88 | S88-D90 WeakPolarHBondContact OG-CB 3.49Å; S88-D90 PolarHBondContact OG-N 3.16Å; S88-D90 PolarHBondContact OG-OD2 2.99Å |
| 91 | N | 44.9 | Very low | 43.5 | Very low | 103 Ų | 103 | 100.6 Ų | 100.6 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | trans | -134.4 | 62 | -179.8 | -143 | -39.3 | 0 | 0 | 0 | 113.9 | S93 | N91-S93 PolarHBondContact O-N 3.12Å; N91-S93 PolarHBondContact OD1-OG 3.47Å | ||
| 92 | I | 47.9 | Very low | 43.6 | Very low | 88 Ų | 88 | 101.4 Ų | 101.4 | 45% | 0.451 | 61% | 0.607 | S | S | . | * | trans | -77.3 | 56.4 | 168.7 | -21.5 | 172.9 | 0 | 0 | 0 | 110.2 | G94 C95 C105 | I92-G94 PolarHBondContact O-N 3.18Å; I92-C95 WeakPolarHBondContact CG2-SG 3.02Å; I92-C105 HydrophobicContact CD1-CB 3.73Å | ||
| 93 | S | 40 | Very low | 43.5 | Very low | 104 Ų | 104 | 100.1 Ų | 100.1 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 8.2 | 163 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | N91 | N91-S93 PolarHBondContact O-N 3.12Å; N91-S93 PolarHBondContact OD1-OG 3.47Å |
| 94 | G | 40.7 | Very low | 43.4 | Very low | 63 Ų | 63 | 100.4 Ų | 100.4 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 10.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | I92 S96 | I92-G94 PolarHBondContact O-N 3.18Å; G94-S96 PolarHBondContact O-N 3.29Å |
| 95 | C | 41.3 | Very low | 42.9 | Very low | 80 Ų | 80 | 98.2 Ų | 98.2 | 54% | 0.541 | 58% | 0.576 | S | S | . | * | trans | -80.3 | 54.5 | 165.7 | -73 | 0 | 0 | 0 | 0 | 110.4 | I92 | I92-C95 WeakPolarHBondContact CG2-SG 3.02Š| ||
| 96 | S | 36.1 | Very low | 43 | Very low | 87 Ų | 87 | 97.7 Ų | 97.7 | 61% | 0.608 | 58% | 0.578 | S | S | * | * | trans | -78.3 | 122.5 | 167.3 | -147.3 | 0 | 0 | 0 | 0 | 107.4 | G94 | G94-S96 PolarHBondContact O-N 3.29Š| ||
| 97 | D | 37.7 | Very low | 43.4 | Very low | 134 Ų | 134 | 100.5 Ų | 100.5 | 72% | 0.717 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 74.4 | 99.7 | 155.9 | -44.9 | -52.4 | 0 | 0 | 0 | 117 | S99 | D97-S99 PolarHBondContact O-N 3.41Š|
| 98 | V | 49.7 | Very low | 43.8 | Very low | 138 Ų | 138 | 101.7 Ų | 101.7 | 84% | 0.836 | 59% | 0.591 | S | S | * | * | trans | 10.8 | 111 | 136.6 | -177.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 99 | S | 44.3 | Very low | 44.6 | Very low | 97 Ų | 97 | 105.8 Ų | 105.8 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | trans | 171.6 | 7 | 130.7 | -77.9 | 0 | 0 | 0 | 0 | 116.8 | D97 | D97-S99 PolarHBondContact O-N 3.41Š| ||
| 100 | D | 40 | Very low | 45.6 | Very low | 145 Ų | 145 | 105.6 Ų | 105.6 | 78% | 0.775 | 62% | 0.615 | S | S | * | * | trans | -128.4 | 117 | 176.4 | -78.1 | -52.5 | 0 | 0 | 0 | 113.5 | N102 | D100-N102 PolarHBondContact O-N 3.48Š| ||
| 101 | K | 43.8 | Very low | 47.2 | Very low | 213 Ų | 213 | 105.9 Ų | 105.9 | 93% | 0.926 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 39.1 | -172.1 | -38.3 | -170.2 | -171.2 | -169.9 | 0 | 112.8 | ||
| 102 | N | 44.1 | Very low | 48.1 | Very low | 148 Ų | 148 | 110.7 Ų | 110.7 | 79% | 0.791 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.6 | 37.7 | 178.1 | -162.1 | 35.3 | 0 | 0 | 0 | 113.3 | D100 | D100-N102 PolarHBondContact O-N 3.48Š|
| 103 | L | 40.7 | Very low | 49.1 | Very low | 131 Ų | 131 | 110.1 Ų | 110.1 | 69% | 0.686 | 64% | 0.635 | S | S | * | * | trans | -113 | 93.8 | 169.6 | -116.6 | 75.3 | 0 | 0 | 0 | 108.6 | C105 | L103-C105 PolarHBondContact O-N 3.25Š| ||
| 104 | N | 40.7 | Very low | 51.1 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | trans | -89.9 | 83.6 | 177.6 | -166.3 | 15.2 | 0 | 0 | 0 | 109.3 | ||||
| 105 | C | 38.3 | Very low | 52.8 | Low | 59 Ų | 59 | 107.3 Ų | 107.3 | 40% | 0.399 | 60% | 0.595 | S | S | . | * | trans | -84.4 | 109.2 | 164.3 | -68.4 | 0 | 0 | 0 | 0 | 107.2 | I92 L103 R107 | I92-C105 HydrophobicContact CD1-CB 3.73Å; L103-C105 PolarHBondContact O-N 3.25Å; C105-R107 PolarHBondContact O-N 3.48Å | ||
| 106 | S | 46.7 | Very low | 54.6 | Low | 58 Ų | 58 | 105.9 Ų | 105.9 | 41% | 0.406 | 58% | 0.58 | S | S | . | * | trans | -66.2 | 90.3 | -161.1 | -59.4 | 0 | 0 | 0 | 0 | 114.4 | Q75 | Q75-S106 PolarHBondContact O-OG 3.1Š| ||
| 107 | R | 50.3 | Low | 57 | Low | 95 Ų | 95 | 101.8 Ų | 101.8 | 36% | 0.358 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -74.5 | 135 | 141.2 | -76.9 | 174.8 | 140.6 | 168.7 | 7.2 | 108.1 | C105 H116 C117 M118 L119 D121 | C105-R107 PolarHBondContact O-N 3.48Å; R107-H116 WeakPolarHBondContact CD-NE2 3.39Å; R107-H116 PolarHBondContact NE-NE2 2.99Å; R107-H116 VanDerWaalsContact NE-NE2 3.19Å; R107-C117 PolarHBondContact NH1-O 3.25Å; R107-M118 PolarHBondContact NH1-O 3.24Å; R107-L119 VanDerWaalsContact NH2-C 3.29Å; R107-L119 PolarHBondContact NH2-O 3.46Å; R107-D121 IonicContact CZ-OD1 3.56Å; R107-D121 IonicContact NE-OD1 2.84Å; R107-D121 PolarHBondContact NE-OD1 3.18Å; R107-D121 IonicContact NH2-OD1 3.47Å; R107-D121 PolarHBondContact NH2-OD1 2.65Å |
| 108 | P | 55.6 | Low | 58.8 | Low | 86 Ų | 86 | 100.9 Ų | 100.9 | 56% | 0.558 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 127.6 | 178.1 | 20.5 | -29.7 | 0 | 0 | 0 | 108.9 | C110 | P108-C110 PolarHBondContact O-N 3.05Š|
| 109 | P | 58.9 | Low | 59.8 | Low | 126 Ų | 126 | 100.7 Ų | 100.7 | 82% | 0.818 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 126.7 | -177.9 | 25.3 | -32.5 | 0 | 0 | 0 | 109 | ||
| 110 | C | 71.3 | Confident | 61.1 | Low | 29 Ų | 29 | 98.4 Ų | 98.4 | 20% | 0.196 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 160.2 | 171.3 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | P108 E114 H116 C123 | P108-C110 PolarHBondContact O-N 3.05Å; C110-E114 HydrophobicContact CB-CB 3.56Å; C110-H116 PolarHBondContact SG-ND1 2Å; C110-C123 VanDerWaalsContact CA-SG 3.59Å; C110-C123 HydrophobicContact CB-CB 3.77Å; C110-C123 WeakPolarHBondContact CB-SG 2.93Å; C110-C123 WeakPolarHBondContact SG-CB 3.18Å; C110-C123 CovalentContact SG-SG 2.04Å; C110-C123 PolarHBondContact SG-SG 3.24Å |
| 111 | Q | 77.7 | Confident | 62.6 | Low | 141 Ų | 141 | 96.8 Ų | 96.8 | 66% | 0.659 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 161.6 | 178.1 | -158.4 | 179.6 | -43 | 0 | 0 | 110.7 | S113 E114 | Q111-S113 PolarHBondContact O-N 2.84Å; Q111-E114 HydrophobicContact CB-CG 4.34Å; Q111-E114 WeakPolarHBondContact CB-OE2 3.46Å; Q111-E114 PolarHBondContact N-OE2 2.95Å; Q111-E114 PolarHBondContact O-N 2.06Å |
| 112 | E | 63.7 | Low | 64.5 | Low | 205 Ų | 205 | 90.1 Ų | 90.1 | 96% | 0.958 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 4.7 | -172.2 | -160.4 | 172.3 | -174.6 | 0 | 0 | 116.4 | ||
| 113 | S | 70.4 | Confident | 66.5 | Low | 75 Ų | 75 | 85.4 Ų | 85.4 | 52% | 0.524 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | 16 | 178.1 | 59 | 0 | 0 | 0 | 0 | 113.5 | Q111 H126 | Q111-S113 PolarHBondContact O-N 2.84Å; S113-H126 PolarHBondContact O-N 3.02Å |
| 114 | E | 81.1 | Confident | 68.6 | Low | 76 Ų | 76 | 79.3 Ų | 79.3 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 144.9 | -176.4 | -68.7 | 174.1 | 165.7 | 0 | 0 | 110 | C110 Q111 C123 I124 | C110-E114 HydrophobicContact CB-CB 3.56Å; Q111-E114 HydrophobicContact CB-CG 4.34Å; Q111-E114 WeakPolarHBondContact CB-OE2 3.46Å; Q111-E114 PolarHBondContact N-OE2 2.95Å; Q111-E114 PolarHBondContact O-N 2.06Å; E114-C123 HydrophobicContact CB-CB 4.29Å; E114-I124 CarbonylContact C-O 3.46Å; E114-I124 WeakPolarHBondContact CA-O 3.41Å |
| 115 | L | 76.7 | Confident | 70.8 | Confident | 33 Ų | 33 | 76.8 Ų | 76.8 | 17% | 0.173 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 151.5 | 176.5 | 68.7 | 116.8 | 0 | 0 | 0 | 110.2 | C123 I124 P125 H126 R129 | L115-C123 CarbonylContact O-C 3.37Å; L115-C123 VanDerWaalsContact O-CA 3.29Å; L115-C123 WeakPolarHBondContact O-CA 3.11Å; L115-I124 HydrophobicContact CD1-CD1 3.82Å; L115-I124 HydrophobicContact CD1-CG1 3.6Å; L115-I124 HydrophobicContact CD2-CD1 4.26Å; L115-I124 HydrophobicContact CD2-CG1 3.75Å; L115-I124 HydrophobicContact CG-CD1 4.14Å; L115-I124 HydrophobicContact CG-CG1 3.44Å; L115-I124 VanDerWaalsContact CG-CG1 3.44Å; L115-I124 PolarHBondContact N-O 3.48Å; L115-I124 PolarHBondContact O-N 3.08Å; L115-P125 VanDerWaalsContact CD2-O 3.31Å; L115-P125 WeakPolarHBondContact CD2-O 3.4Å; L115-H126 VanDerWaalsContact CD2-CA 3.5Å; L115-R129 HydrophobicContact CD2-CB 3.8Å |
| 116 | H | 79.8 | Confident | 72.9 | Confident | 49 Ų | 49 | 80.2 Ų | 80.2 | 23% | 0.227 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 136.3 | -178.4 | -152.7 | 83.7 | 0 | 0 | 0 | 110.3 | R107 C110 D120 D121 | R107-H116 WeakPolarHBondContact CD-NE2 3.39Å; R107-H116 PolarHBondContact NE-NE2 2.99Å; R107-H116 VanDerWaalsContact NE-NE2 3.19Å; C110-H116 PolarHBondContact SG-ND1 2Å; H116-D120 PolarHBondContact NE2-O 3.34Å; H116-D121 WeakPolarHBondContact NE2-CA 3.2Å; H116-D121 IonicContact NE2-OD1 3.63Å |
| 117 | C | 84.9 | Confident | 74.6 | Confident | 1 Ų | 1 | 82.6 Ų | 82.6 | 1% | 0.007 | 44% | 0.443 | C | S | . | . | trans | -64.2 | 155 | 172.3 | -61.4 | 0 | 0 | 0 | 0 | 111 | R107 D120 V122 C136 | R107-C117 PolarHBondContact NH1-O 3.25Å; C117-D120 HydrophobicContact CB-CB 4.48Å; C117-V122 PolarHBondContact N-O 2.92Å; C117-C136 HydrophobicContact CB-CB 3.79Å; C117-C136 WeakPolarHBondContact CB-SG 3.18Å; C117-C136 WeakPolarHBondContact SG-CB 3.33Å; C117-C136 CovalentContact SG-SG 2.04Å; C117-C136 PolarHBondContact SG-SG 3.19Å | ||
| 118 | M | 76.9 | Confident | 76.5 | Confident | 116 Ų | 116 | 83.2 Ų | 83.2 | 57% | 0.571 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -73.3 | -43.1 | -174.8 | -70.3 | -179.9 | -157 | 0 | 0 | 112.7 | R107 D138 S140 | R107-M118 PolarHBondContact NH1-O 3.24Å; M118-D138 WeakPolarHBondContact CB-OD2 3.22Å; M118-D138 PolarHBondContact N-OD2 3.02Å; M118-S140 VanDerWaalsContact CG-CB 3.48Å; M118-S140 PolarHBondContact N-OG 2.91Å |
| 119 | L | 70.9 | Confident | 78 | Confident | 133 Ų | 133 | 84.9 Ų | 84.9 | 70% | 0.696 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -98.7 | -24.3 | -177.5 | -68.8 | 179 | 0 | 0 | 0 | 114.6 | R107 D138 | R107-L119 VanDerWaalsContact NH2-C 3.29Å; R107-L119 PolarHBondContact NH2-O 3.46Å; L119-D138 HydrophobicContact CB-CB 4Å; L119-D138 WeakPolarHBondContact CB-OD2 3.25Å; L119-D138 HydrophobicContact CD1-CB 3.77Å; L119-D138 HydrophobicContact CG-CB 4.11Å; L119-D138 WeakPolarHBondContact CG-OD2 3.16Å; L119-D138 PolarHBondContact N-OD2 3.19Å |
| 120 | D | 70.8 | Confident | 79.4 | Confident | 50 Ų | 50 | 81.1 Ų | 81.1 | 27% | 0.267 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -113.5 | 156.6 | -176.1 | -62.8 | -78.6 | 0 | 0 | 0 | 112.5 | H116 C117 V122 L137 | H116-D120 PolarHBondContact NE2-O 3.34Å; C117-D120 HydrophobicContact CB-CB 4.48Å; D120-V122 HydrophobicContact CB-CG2 4.12Å; D120-V122 PolarHBondContact O-N 2.91Å; D120-L137 WeakPolarHBondContact OD2-CB 3.15Å |
| 121 | D | 71.9 | Confident | 80.2 | Confident | 111 Ų | 111 | 83.5 Ų | 83.5 | 59% | 0.594 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -80.9 | 32.3 | 177.7 | -59.1 | -39.5 | 0 | 0 | 0 | 113.4 | R107 H116 | R107-D121 IonicContact CZ-OD1 3.56Å; R107-D121 IonicContact NE-OD1 2.84Å; R107-D121 PolarHBondContact NE-OD1 3.18Å; R107-D121 IonicContact NH2-OD1 3.47Å; R107-D121 PolarHBondContact NH2-OD1 2.65Å; H116-D121 WeakPolarHBondContact NE2-CA 3.2Å; H116-D121 IonicContact NE2-OD1 3.63Å |
| 122 | V | 82.6 | Confident | 80.6 | Confident | 72 Ų | 72 | 79.9 Ų | 79.9 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | trans | -95.3 | 128.9 | -176.7 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | C117 D120 I124 | C117-V122 PolarHBondContact N-O 2.92Å; D120-V122 HydrophobicContact CB-CG2 4.12Å; D120-V122 PolarHBondContact O-N 2.91Å; V122-I124 HydrophobicContact CG1-CG2 4.01Å | ||
| 123 | C | 86.4 | Confident | 81.9 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.2 | 171.7 | -64.2 | 0 | 0 | 0 | 0 | 109.6 | C110 E114 L115 | C110-C123 VanDerWaalsContact CA-SG 3.59Å; C110-C123 HydrophobicContact CB-CB 3.77Å; C110-C123 WeakPolarHBondContact CB-SG 2.93Å; C110-C123 WeakPolarHBondContact SG-CB 3.18Å; C110-C123 CovalentContact SG-SG 2.04Å; C110-C123 PolarHBondContact SG-SG 3.24Å; E114-C123 HydrophobicContact CB-CB 4.29Å; L115-C123 CarbonylContact O-C 3.37Å; L115-C123 VanDerWaalsContact O-CA 3.29Å; L115-C123 WeakPolarHBondContact O-CA 3.11Å |
| 124 | I | 85.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 153.5 | 174.8 | 70.3 | 172.6 | 0 | 0 | 0 | 110.5 | E114 L115 V122 W128 D135 D141 | E114-I124 CarbonylContact C-O 3.46Å; E114-I124 WeakPolarHBondContact CA-O 3.41Å; L115-I124 HydrophobicContact CD1-CD1 3.82Å; L115-I124 HydrophobicContact CD1-CG1 3.6Å; L115-I124 HydrophobicContact CD2-CD1 4.26Å; L115-I124 HydrophobicContact CD2-CG1 3.75Å; L115-I124 HydrophobicContact CG-CD1 4.14Å; L115-I124 HydrophobicContact CG-CG1 3.44Å; L115-I124 VanDerWaalsContact CG-CG1 3.44Å; L115-I124 PolarHBondContact N-O 3.48Å; L115-I124 PolarHBondContact O-N 3.08Å; V122-I124 HydrophobicContact CG1-CG2 4.01Å; I124-W128 HydrophobicContact CB-CE3 3.94Å; I124-W128 HydrophobicContact CD1-CB 3.93Å; I124-W128 HydrophobicContact CG1-CB 4.41Å; I124-W128 HydrophobicContact CG2-CE3 4.23Å; I124-D135 HydrophobicContact CD1-CB 4.07Å; I124-D135 HydrophobicContact CG2-CB 4.39Å; I124-D141 HydrophobicContact CD1-CB 3.52Å |
| 125 | P | 87.4 | Confident | 83.3 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 29% | 0.286 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 145.1 | 174.5 | -24 | 34.3 | 0 | 0 | 0 | 112.7 | L115 T127 W128 | L115-P125 VanDerWaalsContact CD2-O 3.31Å; L115-P125 WeakPolarHBondContact CD2-O 3.4Å; P125-T127 PolarHBondContact O-N 3.44Å; P125-W128 HydrophobicContact CB-CD2 4.49Å; P125-W128 HydrophobicContact CB-CG 4.33Å; P125-W128 HydrophobicContact CG-CD2 3.99Å; P125-W128 HydrophobicContact CG-CE3 4.39Å; P125-W128 HydrophobicContact CG-CG 4.34Å; P125-W128 HydrophobicContact CG-CZ2 4.32Å; P125-W128 WeakPolarHBondContact O-CB 3.32Å; P125-W128 PolarHBondContact O-N 3.41Å |
| 126 | H | 81.6 | Confident | 83.8 | Confident | 132 Ų | 132 | 72 Ų | 72 | 61% | 0.611 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -53.5 | -25.1 | 173.7 | -168.5 | -66.2 | 0 | 0 | 0 | 113.7 | S113 L115 W128 R129 | S113-H126 PolarHBondContact O-N 3.02Å; L115-H126 VanDerWaalsContact CD2-CA 3.5Å; H126-W128 PolarHBondContact O-N 3.01Å; H126-R129 PolarHBondContact O-N 3.47Å |
| 127 | T | 81.3 | Confident | 84.2 | Confident | 108 Ų | 108 | 76.8 Ų | 76.8 | 66% | 0.663 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -71.4 | -14.9 | 177.2 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | P125 | P125-T127 PolarHBondContact O-N 3.44Š|
| 128 | W | 90.1 | Very high | 84.2 | Confident | 108 Ų | 108 | 78.5 Ų | 78.5 | 41% | 0.409 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -97.8 | 5 | -179.7 | -62.9 | -2.8 | 0 | 0 | 0 | 112.3 | I124 P125 H126 D135 | I124-W128 HydrophobicContact CB-CE3 3.94Å; I124-W128 HydrophobicContact CD1-CB 3.93Å; I124-W128 HydrophobicContact CG1-CB 4.41Å; I124-W128 HydrophobicContact CG2-CE3 4.23Å; P125-W128 HydrophobicContact CB-CD2 4.49Å; P125-W128 HydrophobicContact CB-CG 4.33Å; P125-W128 HydrophobicContact CG-CD2 3.99Å; P125-W128 HydrophobicContact CG-CE3 4.39Å; P125-W128 HydrophobicContact CG-CG 4.34Å; P125-W128 HydrophobicContact CG-CZ2 4.32Å; P125-W128 WeakPolarHBondContact O-CB 3.32Å; P125-W128 PolarHBondContact O-N 3.41Å; H126-W128 PolarHBondContact O-N 3.01Å; W128-D135 HydrophobicContact CB-CB 4.46Å; W128-D135 WeakPolarHBondContact CB-OD2 3.37Å; W128-D135 HydrophobicContact CE3-CB 3.8Å; W128-D135 HydrophobicContact CZ3-CB 4.46Å |
| 129 | R | 87.1 | Confident | 84.6 | Confident | 120 Ų | 120 | 75.3 Ų | 75.3 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 122.7 | 169.9 | -170.7 | 173.3 | -176.1 | -79.3 | -9.5 | 108.7 | L115 H126 D131 | L115-R129 HydrophobicContact CD2-CB 3.8Å; H126-R129 PolarHBondContact O-N 3.47Å; R129-D131 VanDerWaalsContact C-N 3.29Å; R129-D131 PolarHBondContact O-N 2.99Å |
| 130 | C | 88.9 | Confident | 85.3 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 32% | 0.318 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 38.5 | 178 | -54.6 | 0 | 0 | 0 | 0 | 113.3 | D141 E142 C145 | C130-D141 PolarHBondContact N-O 3.05Å; C130-E142 VanDerWaalsContact CA-OE1 3.24Å; C130-E142 WeakPolarHBondContact CA-OE1 3.43Å; C130-E142 PolarHBondContact N-OE1 3.16Å; C130-C145 WeakPolarHBondContact CA-SG 3.46Å; C130-C145 HydrophobicContact CB-CB 3.71Å; C130-C145 WeakPolarHBondContact CB-SG 3.31Å; C130-C145 VanDerWaalsContact SG-CA 3.53Å; C130-C145 WeakPolarHBondContact SG-CB 2.98Å; C130-C145 CovalentContact SG-SG 2.02Å; C130-C145 PolarHBondContact SG-SG 2.94Å |
| 131 | D | 88.9 | Confident | 86.1 | Confident | 79 Ų | 79 | 67 Ų | 67 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -93.1 | -3.4 | 177.8 | 85.8 | -11.6 | 0 | 0 | 0 | 112.5 | R129 H133 E142 | R129-D131 VanDerWaalsContact C-N 3.29Å; R129-D131 PolarHBondContact O-N 2.99Å; D131-H133 WeakPolarHBondContact OD1-CA 3.46Å; D131-H133 VanDerWaalsContact OD1-CB 3.27Å; D131-H133 WeakPolarHBondContact OD1-CB 3.34Å; D131-H133 PolarHBondContact OD1-N 3.17Å; D131-E142 PolarHBondContact N-OE1 3.44Å |
| 132 | G | 85.1 | Confident | 87.1 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 88.4 | 8.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E142 | G132-E142 WeakPolarHBondContact CA-OE2 3.43Å; G132-E142 PolarHBondContact N-OE1 3.37Å; G132-E142 PolarHBondContact N-OE2 2.94Å |
| 133 | H | 90.9 | Very high | 87.2 | Confident | 105 Ų | 105 | 65.2 Ų | 65.2 | 49% | 0.486 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -117.6 | 133.7 | 173.3 | -170.5 | 64.9 | 0 | 0 | 0 | 110.6 | D131 D135 D141 E142 | D131-H133 WeakPolarHBondContact OD1-CA 3.46Å; D131-H133 VanDerWaalsContact OD1-CB 3.27Å; D131-H133 WeakPolarHBondContact OD1-CB 3.34Å; D131-H133 PolarHBondContact OD1-N 3.17Å; H133-D135 IonicContact CD2-OD1 3.62Å; H133-D135 PolarHBondContact CD2-OD1 3.15Å; H133-D135 VanDerWaalsContact CD2-OD1 3.32Å; H133-D135 IonicContact CD2-OD2 3.32Å; H133-D135 PolarHBondContact O-N 3.07Å; H133-D135 VanDerWaalsContact O-N 3.12Å; H133-D141 VanDerWaalsContact O-OD2 3.06Å; H133-E142 VanDerWaalsContact O-CG 3.31Å; H133-E142 WeakPolarHBondContact O-CG 3.22Å |
| 134 | P | 90.7 | Very high | 86.8 | Confident | 71 Ų | 71 | 67.4 Ų | 67.4 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | trans | -78.7 | 95.2 | 173.3 | 30.8 | -33.1 | 0 | 0 | 0 | 110.4 | S139 | P134-S139 WeakPolarHBondContact CB-OG 3.35Š| ||
| 135 | D | 89.9 | Confident | 86.5 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 24% | 0.235 | 38% | 0.383 | C | S | . | . | trans | -85.9 | -27.8 | 175.7 | -75.1 | -68.3 | 0 | 0 | 0 | 112.6 | I124 W128 H133 D141 | I124-D135 HydrophobicContact CD1-CB 4.07Å; I124-D135 HydrophobicContact CG2-CB 4.39Å; W128-D135 HydrophobicContact CB-CB 4.46Å; W128-D135 WeakPolarHBondContact CB-OD2 3.37Å; W128-D135 HydrophobicContact CE3-CB 3.8Å; W128-D135 HydrophobicContact CZ3-CB 4.46Å; H133-D135 IonicContact CD2-OD1 3.62Å; H133-D135 PolarHBondContact CD2-OD1 3.15Å; H133-D135 VanDerWaalsContact CD2-OD1 3.32Å; H133-D135 IonicContact CD2-OD2 3.32Å; H133-D135 PolarHBondContact O-N 3.07Å; H133-D135 VanDerWaalsContact O-N 3.12Å; D135-D141 WeakPolarHBondContact CA-OD2 3.22Å; D135-D141 WeakPolarHBondContact CB-OD2 3.37Å; D135-D141 PolarHBondContact N-OD2 2.02Å | ||
| 136 | C | 88.9 | Confident | 86 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 3% | 0.034 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -84.8 | 147.2 | 169.9 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | C117 D138 S139 D141 | C117-C136 HydrophobicContact CB-CB 3.79Å; C117-C136 WeakPolarHBondContact CB-SG 3.18Å; C117-C136 WeakPolarHBondContact SG-CB 3.33Å; C117-C136 CovalentContact SG-SG 2.04Å; C117-C136 PolarHBondContact SG-SG 3.19Å; C136-D138 WeakPolarHBondContact CB-OD1 3.29Å; C136-D138 PolarHBondContact O-N 3.23Å; C136-S139 WeakPolarHBondContact O-CA 3.4Å; C136-S139 PolarHBondContact O-N 2.83Å; C136-D141 HydrophobicContact CB-CB 4.46Å; C136-D141 WeakPolarHBondContact CB-OD1 3.33Å; C136-D141 PolarHBondContact N-OD1 3.03Å; C136-D141 VanDerWaalsContact N-OD1 3.11Å; C136-D141 PolarHBondContact N-OD2 3.44Å |
| 137 | L | 86.8 | Confident | 85.2 | Confident | 148 Ų | 148 | 72.8 Ų | 72.8 | 78% | 0.775 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -31.1 | 176.4 | 178.1 | 66.4 | 0 | 0 | 0 | 112.3 | D120 | D120-L137 WeakPolarHBondContact OD2-CB 3.15Š|
| 138 | D | 85.1 | Confident | 83.9 | Confident | 38 Ų | 38 | 73 Ų | 73 | 20% | 0.203 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 2 | 173.9 | 68.6 | -14.1 | 0 | 0 | 0 | 114 | M118 L119 C136 S140 | M118-D138 WeakPolarHBondContact CB-OD2 3.22Å; M118-D138 PolarHBondContact N-OD2 3.02Å; L119-D138 HydrophobicContact CB-CB 4Å; L119-D138 WeakPolarHBondContact CB-OD2 3.25Å; L119-D138 HydrophobicContact CD1-CB 3.77Å; L119-D138 HydrophobicContact CG-CB 4.11Å; L119-D138 WeakPolarHBondContact CG-OD2 3.16Å; L119-D138 PolarHBondContact N-OD2 3.19Å; C136-D138 WeakPolarHBondContact CB-OD1 3.29Å; C136-D138 PolarHBondContact O-N 3.23Å; D138-S140 VanDerWaalsContact CG-CB 3.47Å; D138-S140 VanDerWaalsContact CG-OG 3.22Å; D138-S140 PolarHBondContact O-N 3.37Å; D138-S140 VanDerWaalsContact O-N 3.12Å; D138-S140 WeakPolarHBondContact OD1-CB 3.27Å; D138-S140 PolarHBondContact OD1-N 2.96Å; D138-S140 VanDerWaalsContact OD1-N 3.1Å; D138-S140 PolarHBondContact OD1-OG 2.97Å; D138-S140 VanDerWaalsContact OD2-CB 3.29Å; D138-S140 WeakPolarHBondContact OD2-CB 3.21Å; D138-S140 PolarHBondContact OD2-OG 2.86Å |
| 139 | S | 86.7 | Confident | 82.5 | Confident | 48 Ų | 48 | 73.9 Ų | 73.9 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | trans | 54 | 24.3 | -175 | -50.2 | 0 | 0 | 0 | 0 | 113.8 | P134 C136 D141 E142 L143 | P134-S139 WeakPolarHBondContact CB-OG 3.35Å; C136-S139 WeakPolarHBondContact O-CA 3.4Å; C136-S139 PolarHBondContact O-N 2.83Å; S139-D141 VanDerWaalsContact CA-OD1 3.26Å; S139-D141 WeakPolarHBondContact CA-OD1 3.38Å; S139-D141 PolarHBondContact O-N 2.98Å; S139-E142 PolarHBondContact O-N 3.41Å; S139-E142 VanDerWaalsContact O-N 3.1Å; S139-L143 WeakPolarHBondContact O-CG 3.46Å | ||
| 140 | S | 85.6 | Confident | 81 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 5% | 0.049 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -66 | -22.8 | -177.2 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | M118 D138 E142 L143 | M118-S140 VanDerWaalsContact CG-CB 3.48Å; M118-S140 PolarHBondContact N-OG 2.91Å; D138-S140 VanDerWaalsContact CG-CB 3.47Å; D138-S140 VanDerWaalsContact CG-OG 3.22Å; D138-S140 PolarHBondContact O-N 3.37Å; D138-S140 VanDerWaalsContact O-N 3.12Å; D138-S140 WeakPolarHBondContact OD1-CB 3.27Å; D138-S140 PolarHBondContact OD1-N 2.96Å; D138-S140 VanDerWaalsContact OD1-N 3.1Å; D138-S140 PolarHBondContact OD1-OG 2.97Å; D138-S140 VanDerWaalsContact OD2-CB 3.29Å; D138-S140 WeakPolarHBondContact OD2-CB 3.21Å; D138-S140 PolarHBondContact OD2-OG 2.86Å; S140-E142 PolarHBondContact O-N 3.39Å; S140-L143 PolarHBondContact O-N 3.29Å |
| 141 | D | 87.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -63.2 | -23.5 | 171.6 | 55.7 | -50 | 0 | 0 | 0 | 113.7 | I124 C130 H133 D135 C136 S139 | I124-D141 HydrophobicContact CD1-CB 3.52Å; C130-D141 PolarHBondContact N-O 3.05Å; H133-D141 VanDerWaalsContact O-OD2 3.06Å; D135-D141 WeakPolarHBondContact CA-OD2 3.22Å; D135-D141 WeakPolarHBondContact CB-OD2 3.37Å; D135-D141 PolarHBondContact N-OD2 2.02Å; C136-D141 HydrophobicContact CB-CB 4.46Å; C136-D141 WeakPolarHBondContact CB-OD1 3.33Å; C136-D141 PolarHBondContact N-OD1 3.03Å; C136-D141 VanDerWaalsContact N-OD1 3.11Å; C136-D141 PolarHBondContact N-OD2 3.44Å; S139-D141 VanDerWaalsContact CA-OD1 3.26Å; S139-D141 WeakPolarHBondContact CA-OD1 3.38Å; S139-D141 PolarHBondContact O-N 2.98Å |
| 142 | E | 92.1 | Very high | 77.6 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 24% | 0.243 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -106.4 | 3.9 | 179 | -65.7 | -61.8 | 136.8 | 0 | 0 | 113 | C130 D131 G132 H133 S139 S140 C145 | C130-E142 VanDerWaalsContact CA-OE1 3.24Å; C130-E142 WeakPolarHBondContact CA-OE1 3.43Å; C130-E142 PolarHBondContact N-OE1 3.16Å; D131-E142 PolarHBondContact N-OE1 3.44Å; G132-E142 WeakPolarHBondContact CA-OE2 3.43Å; G132-E142 PolarHBondContact N-OE1 3.37Å; G132-E142 PolarHBondContact N-OE2 2.94Å; H133-E142 VanDerWaalsContact O-CG 3.31Å; H133-E142 WeakPolarHBondContact O-CG 3.22Å; S139-E142 PolarHBondContact O-N 3.41Å; S139-E142 VanDerWaalsContact O-N 3.1Å; S140-E142 PolarHBondContact O-N 3.39Å; E142-C145 VanDerWaalsContact C-SG 3.57Å; E142-C145 PolarHBondContact O-SG 2.74Å |
| 143 | L | 85.1 | Confident | 76 | Confident | 95 Ų | 95 | 89.1 Ų | 89.1 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 144.1 | 177.1 | -62.4 | 179.7 | 0 | 0 | 0 | 111.4 | S139 S140 C145 | S139-L143 WeakPolarHBondContact O-CG 3.46Å; S140-L143 PolarHBondContact O-N 3.29Å; L143-C145 PolarHBondContact O-N 3.48Å |
| 144 | S | 77.3 | Confident | 74.4 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 66% | 0.657 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 34.3 | 179.7 | -165.1 | 0 | 0 | 0 | 0 | 113.4 | D146 | S144-D146 PolarHBondContact O-N 3.46Š|
| 145 | C | 80.4 | Confident | 72.1 | Confident | 34 Ų | 34 | 95.5 Ų | 95.5 | 23% | 0.23 | 51% | 0.505 | C | S | . | . | trans | -77.2 | 92.7 | 163 | -54.9 | 0 | 0 | 0 | 0 | 106.6 | C130 E142 L143 T147 | C130-C145 WeakPolarHBondContact CA-SG 3.46Å; C130-C145 HydrophobicContact CB-CB 3.71Å; C130-C145 WeakPolarHBondContact CB-SG 3.31Å; C130-C145 VanDerWaalsContact SG-CA 3.53Å; C130-C145 WeakPolarHBondContact SG-CB 2.98Å; C130-C145 CovalentContact SG-SG 2.02Å; C130-C145 PolarHBondContact SG-SG 2.94Å; E142-C145 VanDerWaalsContact C-SG 3.57Å; E142-C145 PolarHBondContact O-SG 2.74Å; L143-C145 PolarHBondContact O-N 3.48Å; C145-T147 VanDerWaalsContact C-N 3.27Å; C145-T147 PolarHBondContact O-N 2.94Å | ||
| 146 | D | 75.9 | Confident | 70.3 | Confident | 149 Ų | 149 | 102.1 Ų | 102.1 | 80% | 0.797 | 53% | 0.534 | S | S | * | . | trans | -60.6 | 101.4 | 167.9 | -73.6 | -38.9 | 0 | 0 | 0 | 106.6 | S144 D148 | S144-D146 PolarHBondContact O-N 3.46Å; D146-D148 PolarHBondContact O-N 2.9Å | ||
| 147 | T | 65.4 | Low | 68.6 | Low | 111 Ų | 111 | 110.3 Ų | 110.3 | 68% | 0.681 | 57% | 0.572 | S | S | * | * | trans | -70.6 | 80.6 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 107.1 | C145 T149 | C145-T147 VanDerWaalsContact C-N 3.27Å; C145-T147 PolarHBondContact O-N 2.94Å; T147-T149 PolarHBondContact O-N 3Å | ||
| 148 | D | 53.8 | Low | 66.7 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | trans | -76.5 | 27.3 | 164 | -137.7 | 2.2 | 0 | 0 | 0 | 111.1 | D146 E150 | D146-D148 PolarHBondContact O-N 2.9Å; D148-E150 PolarHBondContact O-N 2.8Å | ||
| 149 | T | 59.7 | Low | 64.9 | Low | 125 Ų | 125 | 118 Ų | 118 | 77% | 0.767 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 38.4 | 169 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | T147 | T147-T149 PolarHBondContact O-N 3Š|
| 150 | E | 55.8 | Low | 62.9 | Low | 172 Ų | 172 | 119.4 Ų | 119.4 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | 21.3 | 155.3 | -131.5 | 177.4 | -162.2 | 0 | 0 | 114.2 | D148 | D148-E150 PolarHBondContact O-N 2.8Š|
| 151 | I | 55.5 | Low | 60.7 | Low | 101 Ų | 101 | 124.9 Ų | 124.9 | 52% | 0.518 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.3 | -12.7 | 167.7 | -63.5 | -168 | 0 | 0 | 0 | 114.2 | K153 | I151-K153 PolarHBondContact O-N 2.99Š|
| 152 | D | 52.4 | Low | 58.5 | Low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 13.3 | 177.9 | -87.4 | -8.8 | 0 | 0 | 0 | 115.9 | ||
| 153 | K | 49.9 | Very low | 55.6 | Low | 205 Ų | 205 | 133.5 Ų | 133.5 | 89% | 0.891 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 6.4 | 171.9 | -71.3 | -172.4 | -177.6 | 174.7 | 0 | 116 | I151 | I151-K153 PolarHBondContact O-N 2.99Š|
| 154 | I | 56.9 | Low | 53.9 | Low | 128 Ų | 128 | 140.7 Ų | 140.7 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -127.1 | 27.1 | 180 | -39.4 | -178.7 | 0 | 0 | 0 | 113.3 | ||
| 155 | F | 44 | Very low | 52.2 | Low | 182 Ų | 182 | 143.1 Ų | 143.1 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | -138.5 | 60.6 | 166.1 | -73.1 | -74.6 | 0 | 0 | 0 | 112.9 | ||||
| 156 | Q | 51.4 | Low | 50.2 | Low | 182 Ų | 182 | 147 Ų | 147 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -130.1 | 124.8 | 135.4 | -68.8 | -158.8 | 4.9 | 0 | 0 | 107.9 | ||
| 157 | E | 54.2 | Low | 48 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 79.4 | 110.4 | -177 | -53.8 | 177.1 | -179.4 | 0 | 0 | 113 | ||
| 158 | E | 45.6 | Very low | 46.3 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | cis | -149.9 | 132 | 20.1 | -64.5 | -172.1 | 143.1 | 0 | 0 | 111.4 | A160 | E158-A160 PolarHBondContact O-N 3Š| ||
| 159 | N | 47.2 | Very low | 45.6 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | -58 | 103.2 | 158.5 | -176.3 | 23.5 | 0 | 0 | 0 | 109.9 | ||||
| 160 | A | 45.9 | Very low | 44.6 | Very low | 77 Ų | 77 | 152.6 Ų | 152.6 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | 178.7 | 133.1 | 139.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E158 | E158-A160 PolarHBondContact O-N 3Š| ||
| 161 | T | 38.6 | Very low | 43.4 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 92.6 | 93.3 | 145.4 | -40.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 162 | T | 40.3 | Very low | 42.5 | Very low | 120 Ų | 120 | 153.6 Ų | 153.6 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | 73.1 | 104.8 | 118.8 | -53 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 163 | T | 33 | Very low | 41.6 | Very low | 114 Ų | 114 | 151.9 Ų | 151.9 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | 153.9 | 116.1 | 109 | -62.5 | 0 | 0 | 0 | 0 | 109.5 | I165 | T163-I165 HydrophobicContact CG2-CG1 4.32Å; T163-I165 PolarHBondContact O-N 2.73Å | |||
| 164 | R | 49.6 | Very low | 40.6 | Very low | 245 Ų | 245 | 147.3 Ų | 147.3 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | trans | -57.9 | 127.8 | 163.3 | -72.2 | 173.9 | 170.8 | 129 | -2.3 | 109.8 | ||||
| 165 | I | 40.2 | Very low | 39.7 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -135.5 | 115.6 | 144 | -57.5 | -177.5 | 0 | 0 | 0 | 108.3 | T163 | T163-I165 HydrophobicContact CG2-CG1 4.32Å; T163-I165 PolarHBondContact O-N 2.73Å | ||
| 166 | S | 39.5 | Very low | 39.6 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -98.7 | 122.4 | 164 | -178.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 167 | T | 29.4 | Very low | 38.9 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 64% | 0.644 | 79% | 0.787 | S | S | * | * | trans | -176.9 | 107.6 | 159.5 | 38 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 168 | T | 29.4 | Very low | 38.1 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | 87.6 | 124.8 | 106.5 | 58.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 169 | M | 39.8 | Very low | 37.6 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -55.4 | 128.8 | 163.9 | -66.3 | -80.6 | -164.7 | 0 | 0 | 111.3 | ||||
| 170 | E | 37.4 | Very low | 36.8 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -142.7 | 134.9 | 147.5 | -70.3 | -163.5 | 150.9 | 0 | 0 | 110.2 | ||||
| 171 | N | 30.9 | Very low | 36.2 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -90.5 | 159.4 | 178.6 | -173.8 | 24.4 | 0 | 0 | 0 | 110.2 | ||||
| 172 | E | 36.3 | Very low | 36.4 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | 86.8 | 103.4 | 161.2 | -63.1 | -114.5 | 121.3 | 0 | 0 | 120.7 | ||||
| 173 | T | 33.5 | Very low | 36.3 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | 46.7 | 119.4 | 128 | 62.4 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 174 | S | 30.3 | Very low | 36.4 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | 179.4 | 117.2 | 112.8 | -172 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 175 | F | 36.4 | Very low | 35.6 | Very low | 170 Ų | 170 | 142 Ų | 142 | 75% | 0.746 | 79% | 0.793 | S | S | * | * | trans | 28 | 117.6 | 144 | -82.6 | -96.3 | 0 | 0 | 0 | 120.4 | ||||
| 176 | R | 43.1 | Very low | 35.7 | Very low | 245 Ų | 245 | 140.2 Ų | 140.2 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | -141.6 | 122 | 123 | -71.4 | -161.7 | 179.5 | -170.1 | -0.4 | 111.7 | |||||
| 177 | N | 35.9 | Very low | 35.7 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -56.9 | 126.9 | 170.2 | -70.9 | -21.5 | 0 | 0 | 0 | 111.1 | ||||
| 178 | V | 38.1 | Very low | 36.4 | Very low | 133 Ų | 133 | 145 Ų | 145 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -127.8 | 108.3 | 155.5 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | F180 | V178-F180 PolarHBondContact O-N 2.96Š| ||
| 179 | T | 34 | Very low | 36.9 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -50.8 | 112.9 | 165.6 | 28.8 | 0 | 0 | 0 | 0 | 110.4 | T181 | T179-T181 PolarHBondContact O-N 2.74Š| ||
| 180 | F | 32.3 | Very low | 37.4 | Very low | 200 Ų | 200 | 143 Ų | 143 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -89.3 | 95.7 | 164.7 | -163.1 | -102 | 0 | 0 | 0 | 108.7 | V178 | V178-F180 PolarHBondContact O-N 2.96Š| ||
| 181 | T | 32.8 | Very low | 38.2 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -63.9 | 127.4 | 166.5 | 42.5 | 0 | 0 | 0 | 0 | 109.5 | T179 A183 | T179-T181 PolarHBondContact O-N 2.74Å; T181-A183 PolarHBondContact O-N 2.86Å | ||
| 182 | S | 43.1 | Very low | 39.2 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -61.9 | 127.6 | 167.4 | 50.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 183 | A | 36.9 | Very low | 39.9 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -125.9 | 106.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | T181 | T181-A183 PolarHBondContact O-N 2.86Š| ||
| 184 | G | 36.2 | Very low | 40.6 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | -69.8 | 141.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 185 | D | 31.9 | Very low | 41.7 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -123.9 | 132.9 | 145.5 | -162.1 | 6.8 | 0 | 0 | 0 | 108.6 | ||||
| 186 | S | 42.7 | Very low | 42.4 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -99.3 | 135.8 | -165.6 | -71.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 187 | S | 38.5 | Very low | 42.7 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -151.5 | 102.7 | 143.7 | -140.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 188 | R | 44.9 | Very low | 43.4 | Very low | 222 Ų | 222 | 121.1 Ų | 121.1 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | 74.2 | 99.4 | 138.6 | -69.1 | 172.1 | 168.4 | 154.4 | -2.4 | 120.3 | ||||
| 189 | N | 39.4 | Very low | 44 | Very low | 145 Ų | 145 | 117.9 Ų | 117.9 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | 179.9 | 123.9 | 96.1 | -110.4 | -29.6 | 0 | 0 | 0 | 111.9 | S191 | N189-S191 PolarHBondContact O-N 2.86Š| |||
| 190 | P | 51.1 | Low | 44.9 | Very low | 128 Ų | 128 | 114 Ų | 114 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | trans | -100.9 | 49.8 | -168.5 | 39.1 | -35.5 | 0 | 0 | 0 | 115.4 | ||||
| 191 | S | 54.9 | Low | 46.1 | Very low | 118 Ų | 118 | 108.7 Ų | 108.7 | 83% | 0.825 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -138.9 | 5.8 | -178.8 | -128.4 | 0 | 0 | 0 | 0 | 118.5 | N189 | N189-S191 PolarHBondContact O-N 2.86Š|
| 192 | A | 51.1 | Low | 47.1 | Very low | 64 Ų | 64 | 108.5 Ų | 108.5 | 53% | 0.529 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -110.5 | -16.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 193 | Y | 50.1 | Low | 47.9 | Very low | 196 Ų | 196 | 106 Ų | 106 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -87.4 | -5.6 | -174.2 | -65.6 | -79.4 | 0 | 0 | 0 | 114.6 | ||
| 194 | G | 48.4 | Very low | 49.1 | Very low | 66 Ų | 66 | 104 Ų | 104 | 68% | 0.68 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.2 | -13.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 195 | V | 53 | Low | 50.9 | Low | 108 Ų | 108 | 105.2 Ų | 105.2 | 66% | 0.655 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -105.7 | -27 | -174.2 | -163.9 | 0 | 0 | 0 | 0 | 112.5 | A198 | V195-A198 PolarHBondContact O-N 2.76Å |
| 196 | I | 51.9 | Low | 53 | Low | 135 Ų | 135 | 102.4 Ų | 102.4 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -83.1 | -24.5 | -176.9 | -53.7 | 177.1 | 0 | 0 | 0 | 111.9 | A198 | I196-A198 VanDerWaalsContact C-N 3.34Å |
| 197 | A | 49.5 | Very low | 54.8 | Low | 73 Ų | 73 | 101.9 Ų | 101.9 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -76.8 | -18.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V201 | A197-V201 WeakPolarHBondContact O-CG2 3.23Å |
| 198 | A | 50.2 | Low | 56.9 | Low | 54 Ų | 54 | 100 Ų | 100 | 45% | 0.446 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -84.2 | -31.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V195 I196 L202 | V195-A198 PolarHBondContact O-N 2.76Å; I196-A198 VanDerWaalsContact C-N 3.34Å; A198-L202 PolarHBondContact O-N 3.31Å |
| 199 | A | 51.8 | Low | 58.7 | Low | 65 Ų | 65 | 91.4 Ų | 91.4 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.9 | -36.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | S203 | A199-S203 PolarHBondContact O-N 3.21Å; A199-S203 PolarHBondContact O-OG 3.2Å |
| 200 | G | 52.7 | Low | 60.8 | Low | 45 Ų | 45 | 88 Ų | 88 | 46% | 0.464 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.9 | -25.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S203 | G200-S203 PolarHBondContact O-OG 2.77Å |
| 201 | V | 56.3 | Low | 62.4 | Low | 87 Ų | 87 | 86.8 Ų | 86.8 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -83.4 | -35.1 | 176.9 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | A197 I205 | A197-V201 WeakPolarHBondContact O-CG2 3.23Å; V201-I205 HydrophobicContact CG1-CD1 3.79Å; V201-I205 HydrophobicContact CG1-CG1 4.49Å; V201-I205 WeakPolarHBondContact O-CD1 3.28Å; V201-I205 VanDerWaalsContact O-CG1 3.24Å; V201-I205 WeakPolarHBondContact O-CG1 3.45Å; V201-I205 PolarHBondContact O-N 3.42Å |
| 202 | L | 53.7 | Low | 63.7 | Low | 111 Ų | 111 | 86.1 Ų | 86.1 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -38.7 | 173.8 | -115.2 | 83.9 | 0 | 0 | 0 | 112.4 | A198 I205 L206 | A198-L202 PolarHBondContact O-N 3.31Å; L202-I205 PolarHBondContact O-N 2.96Å; L202-L206 WeakPolarHBondContact O-CB 3.3Å; L202-L206 WeakPolarHBondContact O-CD1 3.05Å; L202-L206 WeakPolarHBondContact O-CG 3.49Å; L202-L206 PolarHBondContact O-N 3.27Å |
| 203 | S | 60.8 | Low | 65.3 | Low | 62 Ų | 62 | 88 Ų | 88 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 179.7 | 57 | 0 | 0 | 0 | 0 | 112.4 | A199 G200 L206 V207 | A199-S203 PolarHBondContact O-N 3.21Å; A199-S203 PolarHBondContact O-OG 3.2Å; G200-S203 PolarHBondContact O-OG 2.77Å; S203-L206 PolarHBondContact O-N 3.37Å; S203-V207 VanDerWaalsContact O-CG2 3.25Å; S203-V207 WeakPolarHBondContact O-CG2 3.49Å; S203-V207 PolarHBondContact O-N 3.25Å |
| 204 | A | 62.7 | Low | 66.5 | Low | 58 Ų | 58 | 82.6 Ų | 82.6 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S208 | A204-S208 WeakPolarHBondContact O-CB 3.36Å; A204-S208 PolarHBondContact O-N 2.93Å; A204-S208 PolarHBondContact O-OG 3.34Å |
| 205 | I | 72.7 | Confident | 67.9 | Low | 101 Ų | 101 | 83.8 Ų | 83.8 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.1 | -39.4 | 176.3 | -66.2 | 168.6 | 0 | 0 | 0 | 110.8 | V201 L202 S208 A209 | V201-I205 HydrophobicContact CG1-CD1 3.79Å; V201-I205 HydrophobicContact CG1-CG1 4.49Å; V201-I205 WeakPolarHBondContact O-CD1 3.28Å; V201-I205 VanDerWaalsContact O-CG1 3.24Å; V201-I205 WeakPolarHBondContact O-CG1 3.45Å; V201-I205 PolarHBondContact O-N 3.42Å; L202-I205 PolarHBondContact O-N 2.96Å; I205-S208 WeakPolarHBondContact CA-OG 3.49Å; I205-S208 PolarHBondContact O-OG 3.46Å; I205-A209 WeakPolarHBondContact O-CB 3.49Å; I205-A209 PolarHBondContact O-N 3.28Å |
| 206 | L | 76.6 | Confident | 69.2 | Low | 106 Ų | 106 | 87.6 Ų | 87.6 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.3 | -40.4 | 176.6 | -71.1 | 169.2 | 0 | 0 | 0 | 112.3 | L202 S203 T210 | L202-L206 WeakPolarHBondContact O-CB 3.3Å; L202-L206 WeakPolarHBondContact O-CD1 3.05Å; L202-L206 WeakPolarHBondContact O-CG 3.49Å; L202-L206 PolarHBondContact O-N 3.27Å; S203-L206 PolarHBondContact O-N 3.37Å; L206-T210 WeakPolarHBondContact O-CB 3.03Å; L206-T210 VanDerWaalsContact O-CG2 3.22Å; L206-T210 WeakPolarHBondContact O-CG2 3.31Å; L206-T210 PolarHBondContact O-N 3.36Å; L206-T210 PolarHBondContact O-OG1 3.47Å |
| 207 | V | 80.9 | Confident | 70.2 | Confident | 97 Ų | 97 | 83.9 Ų | 83.9 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.8 | -41.2 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | S203 T210 L211 | S203-V207 VanDerWaalsContact O-CG2 3.25Å; S203-V207 WeakPolarHBondContact O-CG2 3.49Å; S203-V207 PolarHBondContact O-N 3.25Å; V207-T210 WeakPolarHBondContact CA-OG1 3.05Å; V207-T210 PolarHBondContact O-OG1 3.01Å; V207-L211 WeakPolarHBondContact O-CB 3.07Å; V207-L211 PolarHBondContact O-N 3.42Å |
| 208 | S | 83.1 | Confident | 71.3 | Confident | 59 Ų | 59 | 86.3 Ų | 86.3 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.2 | -41.1 | 177 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | A204 I205 L211 L212 | A204-S208 WeakPolarHBondContact O-CB 3.36Å; A204-S208 PolarHBondContact O-N 2.93Å; A204-S208 PolarHBondContact O-OG 3.34Å; I205-S208 WeakPolarHBondContact CA-OG 3.49Å; I205-S208 PolarHBondContact O-OG 3.46Å; S208-L211 PolarHBondContact O-N 2.03Å; S208-L212 WeakPolarHBondContact O-CB 3.3Å; S208-L212 VanDerWaalsContact O-CG 3.3Å; S208-L212 WeakPolarHBondContact O-CG 3.16Å; S208-L212 PolarHBondContact O-N 3.31Å |
| 209 | A | 82.1 | Confident | 72.2 | Confident | 41 Ų | 41 | 87.1 Ų | 87.1 | 34% | 0.339 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I205 L212 I213 | I205-A209 WeakPolarHBondContact O-CB 3.49Å; I205-A209 PolarHBondContact O-N 3.28Å; A209-L212 PolarHBondContact O-N 2.96Å; A209-I213 WeakPolarHBondContact O-CD1 3.32Å; A209-I213 VanDerWaalsContact O-CG1 3.23Å; A209-I213 WeakPolarHBondContact O-CG1 3.48Å; A209-I213 PolarHBondContact O-N 2.8Å |
| 210 | T | 84.3 | Confident | 73.4 | Confident | 74 Ų | 74 | 90.6 Ų | 90.6 | 45% | 0.454 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 177 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | L206 V207 L212 I213 L214 | L206-T210 WeakPolarHBondContact O-CB 3.03Å; L206-T210 VanDerWaalsContact O-CG2 3.22Å; L206-T210 WeakPolarHBondContact O-CG2 3.31Å; L206-T210 PolarHBondContact O-N 3.36Å; L206-T210 PolarHBondContact O-OG1 3.47Å; V207-T210 WeakPolarHBondContact CA-OG1 3.05Å; V207-T210 PolarHBondContact O-OG1 3.01Å; T210-L212 PolarHBondContact O-N 3.25Å; T210-I213 PolarHBondContact O-N 3.19Å; T210-L214 VanDerWaalsContact O-CG 3.31Å; T210-L214 WeakPolarHBondContact O-CG 3.38Å; T210-L214 PolarHBondContact O-N 2.03Å |
| 211 | L | 83.8 | Confident | 74.1 | Confident | 102 Ų | 102 | 91.5 Ų | 91.5 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 174.8 | -174.8 | 64.5 | 0 | 0 | 0 | 112 | V207 S208 L214 L215 | V207-L211 WeakPolarHBondContact O-CB 3.07Å; V207-L211 PolarHBondContact O-N 3.42Å; S208-L211 PolarHBondContact O-N 2.03Å; L211-L214 PolarHBondContact O-N 3.29Å; L211-L215 HydrophobicContact CG-CD1 4.33Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.47Å |
| 212 | L | 83.3 | Confident | 74.7 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 55% | 0.55 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 176.1 | -73.3 | 172.8 | 0 | 0 | 0 | 112.2 | S208 A209 T210 L215 R216 | S208-L212 WeakPolarHBondContact O-CB 3.3Å; S208-L212 VanDerWaalsContact O-CG 3.3Å; S208-L212 WeakPolarHBondContact O-CG 3.16Å; S208-L212 PolarHBondContact O-N 3.31Å; A209-L212 PolarHBondContact O-N 2.96Å; T210-L212 PolarHBondContact O-N 3.25Å; L212-L215 PolarHBondContact O-N 2.95Å; L212-R216 VanDerWaalsContact O-CG 3.25Å; L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 2.72Å |
| 213 | I | 83.4 | Confident | 75.1 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 174.9 | -68.8 | 163.5 | 0 | 0 | 0 | 110.4 | A209 T210 L215 R216 L217 | A209-I213 WeakPolarHBondContact O-CD1 3.32Å; A209-I213 VanDerWaalsContact O-CG1 3.23Å; A209-I213 WeakPolarHBondContact O-CG1 3.48Å; A209-I213 PolarHBondContact O-N 2.8Å; T210-I213 PolarHBondContact O-N 3.19Å; I213-L215 PolarHBondContact O-N 3.05Å; I213-R216 PolarHBondContact O-N 3.25Å; I213-L217 HydrophobicContact CG2-CD1 3.91Å; I213-L217 HydrophobicContact CG2-CG 4.32Å; I213-L217 WeakPolarHBondContact O-CG 3.45Å; I213-L217 PolarHBondContact O-N 3.3Å |
| 214 | L | 76.7 | Confident | 75.3 | Confident | 84 Ų | 84 | 94.3 Ų | 94.3 | 44% | 0.44 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 177.4 | -70.5 | 173.1 | 0 | 0 | 0 | 112.4 | T210 L211 R216 L217 R218 L223 | T210-L214 VanDerWaalsContact O-CG 3.31Å; T210-L214 WeakPolarHBondContact O-CG 3.38Å; T210-L214 PolarHBondContact O-N 2.03Å; L211-L214 PolarHBondContact O-N 3.29Å; L214-R216 VanDerWaalsContact C-N 3.35Å; L214-L217 PolarHBondContact O-N 2.88Å; L214-R218 WeakPolarHBondContact O-CB 3.34Å; L214-R218 PolarHBondContact O-N 3.38Å; L214-L223 HydrophobicContact CD2-CD2 3.96Å |
| 215 | L | 77.4 | Confident | 75.4 | Confident | 91 Ų | 91 | 95.1 Ų | 95.1 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -36.4 | 175.1 | -70.7 | 172.4 | 0 | 0 | 0 | 112.2 | L211 L212 I213 G219 | L211-L215 HydrophobicContact CG-CD1 4.33Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.47Å; L212-L215 PolarHBondContact O-N 2.95Å; I213-L215 PolarHBondContact O-N 3.05Å; L215-G219 PolarHBondContact O-N 3.42Å |
| 216 | R | 80.2 | Confident | 74.8 | Confident | 187 Ų | 187 | 93.9 Ų | 93.9 | 71% | 0.706 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.1 | -44.2 | 175 | -70.2 | -66.8 | -162.1 | -115.8 | 1 | 112.1 | L212 I213 L214 R218 G219 Q220 | L212-R216 VanDerWaalsContact O-CG 3.25Å; L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 2.72Å; I213-R216 PolarHBondContact O-N 3.25Å; L214-R216 VanDerWaalsContact C-N 3.35Å; R216-R218 VanDerWaalsContact C-N 3.25Å; R216-R218 PolarHBondContact O-N 2.97Å; R216-G219 PolarHBondContact O-N 2.88Å; R216-G219 VanDerWaalsContact O-N 3.13Å; R216-Q220 WeakPolarHBondContact O-CG 3.25Å; R216-Q220 PolarHBondContact O-N 3.19Å |
| 217 | L | 73.4 | Confident | 73.9 | Confident | 58 Ų | 58 | 91.4 Ų | 91.4 | 30% | 0.304 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -35.4 | 175.4 | -71.4 | 173.6 | 0 | 0 | 0 | 111.8 | I213 L214 Q220 G221 Y222 L223 | I213-L217 HydrophobicContact CG2-CD1 3.91Å; I213-L217 HydrophobicContact CG2-CG 4.32Å; I213-L217 WeakPolarHBondContact O-CG 3.45Å; I213-L217 PolarHBondContact O-N 3.3Å; L214-L217 PolarHBondContact O-N 2.88Å; L217-Q220 CarbonylContact O-C 3.59Å; L217-Q220 PolarHBondContact O-N 2.99Å; L217-G221 PolarHBondContact O-N 2.98Å; L217-Y222 PolarHBondContact O-N 3.45Å; L217-L223 HydrophobicContact CB-CD1 4.34Å |
| 218 | R | 71.4 | Confident | 72.7 | Confident | 123 Ų | 123 | 91.5 Ų | 91.5 | 46% | 0.464 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 172.8 | -168.3 | 172.4 | -175.1 | 176.3 | -10.8 | 112.7 | L214 R216 Q220 G221 P226 | L214-R218 WeakPolarHBondContact O-CB 3.34Å; L214-R218 PolarHBondContact O-N 3.38Å; R216-R218 VanDerWaalsContact C-N 3.25Å; R216-R218 PolarHBondContact O-N 2.97Å; R218-Q220 PolarHBondContact O-N 3.47Å; R218-G221 PolarHBondContact O-N 3.03Å; R218-P226 VanDerWaalsContact CZ-CD 3.4Å |
| 219 | G | 69.3 | Low | 71.3 | Confident | 72 Ų | 72 | 94.4 Ų | 94.4 | 74% | 0.742 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.5 | -25.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L215 R216 | L215-G219 PolarHBondContact O-N 3.42Å; R216-G219 PolarHBondContact O-N 2.88Å; R216-G219 VanDerWaalsContact O-N 3.13Å |
| 220 | Q | 76.3 | Confident | 70 | Confident | 137 Ų | 137 | 96.9 Ų | 96.9 | 64% | 0.64 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.1 | 175.3 | -68.7 | 179.2 | -38.2 | 0 | 0 | 113.7 | R216 L217 R218 Y222 | R216-Q220 WeakPolarHBondContact O-CG 3.25Å; R216-Q220 PolarHBondContact O-N 3.19Å; L217-Q220 CarbonylContact O-C 3.59Å; L217-Q220 PolarHBondContact O-N 2.99Å; R218-Q220 PolarHBondContact O-N 3.47Å; Q220-Y222 VanDerWaalsContact C-N 3.32Å; Q220-Y222 HydrophobicContact CB-CD2 4.09Å; Q220-Y222 PolarHBondContact O-N 3.38Å |
| 221 | G | 69.1 | Low | 68.4 | Low | 65 Ų | 65 | 95.8 Ų | 95.8 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 10.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | L217 R218 | L217-G221 PolarHBondContact O-N 2.98Å; R218-G221 PolarHBondContact O-N 3.03Å |
| 222 | Y | 68.6 | Low | 67.1 | Low | 185 Ų | 185 | 94.7 Ų | 94.7 | 73% | 0.725 | 53% | 0.531 | S | S | * | . | trans | -79.6 | -15.8 | 179.2 | -88 | -87 | 0 | 0 | 0 | 113.8 | L217 Q220 | L217-Y222 PolarHBondContact O-N 3.45Å; Q220-Y222 VanDerWaalsContact C-N 3.32Å; Q220-Y222 HydrophobicContact CB-CD2 4.09Å; Q220-Y222 PolarHBondContact O-N 3.38Å | ||
| 223 | L | 60.7 | Low | 65.7 | Low | 72 Ų | 72 | 96.6 Ų | 96.6 | 38% | 0.377 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -118.9 | 128.6 | 179.6 | -109.3 | 73.3 | 0 | 0 | 0 | 111.2 | L214 L217 | L214-L223 HydrophobicContact CD2-CD2 3.96Å; L217-L223 HydrophobicContact CB-CD1 4.34Å |
| 224 | P | 66.6 | Low | 64.4 | Low | 61 Ų | 61 | 97.1 Ų | 97.1 | 40% | 0.396 | 54% | 0.535 | S | S | . | . | trans | -66.3 | 152.4 | 174.9 | 27.8 | -33.1 | 0 | 0 | 0 | 111.2 | L228 | P224-L228 HydrophobicContact CB-CB 4.44Å; P224-L228 HydrophobicContact CB-CD2 3.94Å | ||
| 225 | P | 63.2 | Low | 63.3 | Low | 76 Ų | 76 | 97.1 Ų | 97.1 | 49% | 0.494 | 54% | 0.542 | S | S | . | . | trans | -60.8 | 145.7 | 176.1 | 25.1 | -32.2 | 0 | 0 | 0 | 110.6 | G227 L228 | P225-G227 PolarHBondContact O-N 2.95Å; P225-L228 HydrophobicContact CG-CB 4.47Å; P225-L228 WeakPolarHBondContact O-CB 3.36Å; P225-L228 PolarHBondContact O-N 2.9Å | ||
| 226 | P | 61.2 | Low | 62.1 | Low | 75 Ų | 75 | 98.3 Ų | 98.3 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62 | -16.9 | -173.6 | 24.5 | -33.2 | 0 | 0 | 0 | 113.3 | R218 L228 | R218-P226 VanDerWaalsContact CZ-CD 3.4Å; P226-L228 VanDerWaalsContact C-N 3.35Å |
| 227 | G | 58.3 | Low | 60.9 | Low | 53 Ų | 53 | 93.9 Ų | 93.9 | 55% | 0.546 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -74 | -18.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | P225 | P225-G227 PolarHBondContact O-N 2.95Å |
| 228 | L | 54.3 | Low | 59.9 | Low | 100 Ų | 100 | 97.1 Ų | 97.1 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -82.8 | -32.6 | -179 | -159.7 | 78.6 | 0 | 0 | 0 | 112.1 | P224 P225 P226 V232 | P224-L228 HydrophobicContact CB-CB 4.44Å; P224-L228 HydrophobicContact CB-CD2 3.94Å; P225-L228 HydrophobicContact CG-CB 4.47Å; P225-L228 WeakPolarHBondContact O-CB 3.36Å; P225-L228 PolarHBondContact O-N 2.9Å; P226-L228 VanDerWaalsContact C-N 3.35Å; L228-V232 WeakPolarHBondContact O-CG2 3.21Å; L228-V232 PolarHBondContact O-N 3.01Å |
| 229 | L | 53.4 | Low | 58.6 | Low | 119 Ų | 119 | 94.8 Ų | 94.8 | 62% | 0.623 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -74.3 | -29.7 | 177.7 | -78.6 | 171.1 | 0 | 0 | 0 | 112.8 | K233 | L229-K233 PolarHBondContact O-N 3.32Å |
| 230 | V | 54.9 | Low | 57.8 | Low | 94 Ų | 94 | 98.2 Ų | 98.2 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.4 | -42.4 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | V232 K233 E234 | V230-V232 PolarHBondContact O-N 3.09Å; V230-K233 PolarHBondContact O-N 3.2Å; V230-E234 WeakPolarHBondContact O-CG 3.09Å; V230-E234 PolarHBondContact O-N 3.42Å |
| 231 | A | 50.8 | Low | 56.7 | Low | 51 Ų | 51 | 102.1 Ų | 102.1 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.9 | -34.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S235 | A231-S235 PolarHBondContact O-N 3.03Å; A231-S235 PolarHBondContact O-OG 3.2Å |
| 232 | V | 56.9 | Low | 55.9 | Low | 78 Ų | 78 | 107.2 Ų | 107.2 | 47% | 0.473 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.5 | -33.7 | 178.1 | 175.2 | 0 | 0 | 0 | 0 | 112 | L228 V230 S235 L236 | L228-V232 WeakPolarHBondContact O-CG2 3.21Å; L228-V232 PolarHBondContact O-N 3.01Å; V230-V232 PolarHBondContact O-N 3.09Å; V232-S235 PolarHBondContact O-N 3.22Å; V232-L236 HydrophobicContact CG1-CD1 4.22Å; V232-L236 PolarHBondContact O-N 3.23Å |
| 233 | K | 54.5 | Low | 55.2 | Low | 146 Ų | 146 | 103.8 Ų | 103.8 | 64% | 0.635 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.3 | -41.3 | 176.8 | -167.5 | 175.2 | 177.3 | -167.3 | 0 | 111.9 | L229 V230 S235 L236 L237 | L229-K233 PolarHBondContact O-N 3.32Å; V230-K233 PolarHBondContact O-N 3.2Å; K233-S235 VanDerWaalsContact C-N 3.33Å; K233-S235 PolarHBondContact O-N 2.83Å; K233-L236 PolarHBondContact O-N 2.67Å; K233-L237 WeakPolarHBondContact O-CG 3.48Å; K233-L237 PolarHBondContact O-N 3.13Å |
| 234 | E | 55.6 | Low | 54.5 | Low | 113 Ų | 113 | 105.6 Ų | 105.6 | 53% | 0.528 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.2 | -35.6 | 174.7 | -68.6 | -59.2 | 131.2 | 0 | 0 | 112.3 | V230 L238 | V230-E234 WeakPolarHBondContact O-CG 3.09Å; V230-E234 PolarHBondContact O-N 3.42Å; E234-L238 PolarHBondContact O-N 3.4Å |
| 235 | S | 53.2 | Low | 53.7 | Low | 84 Ų | 84 | 110.3 Ų | 110.3 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.1 | -30.7 | 179.7 | -57.1 | 0 | 0 | 0 | 0 | 113.6 | A231 V232 K233 | A231-S235 PolarHBondContact O-N 3.03Å; A231-S235 PolarHBondContact O-OG 3.2Å; V232-S235 PolarHBondContact O-N 3.22Å; K233-S235 VanDerWaalsContact C-N 3.33Å; K233-S235 PolarHBondContact O-N 2.83Å |
| 236 | L | 53.1 | Low | 52.8 | Low | 115 Ų | 115 | 117.3 Ų | 117.3 | 60% | 0.602 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.6 | -36.5 | 177.2 | -84.2 | 162.2 | 0 | 0 | 0 | 112.3 | V232 K233 L238 S239 E240 | V232-L236 HydrophobicContact CG1-CD1 4.22Å; V232-L236 PolarHBondContact O-N 3.23Å; K233-L236 PolarHBondContact O-N 2.67Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 3.31Å; L236-S239 PolarHBondContact O-N 3.01Å; L236-S239 VanDerWaalsContact O-N 3.16Å; L236-E240 PolarHBondContact O-N 3.36Å |
| 237 | L | 54.3 | Low | 52.4 | Low | 94 Ų | 94 | 119.4 Ų | 119.4 | 49% | 0.492 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.1 | -30 | 177.8 | -69 | 176.2 | 0 | 0 | 0 | 112.9 | K233 S239 | K233-L237 WeakPolarHBondContact O-CG 3.48Å; K233-L237 PolarHBondContact O-N 3.13Å; L237-S239 VanDerWaalsContact C-N 3.31Å |
| 238 | L | 51.9 | Low | 52.1 | Low | 127 Ų | 127 | 122.9 Ų | 122.9 | 67% | 0.665 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.1 | -22 | 173.4 | -112.8 | 119.5 | 0 | 0 | 0 | 113.4 | E234 L236 | E234-L238 PolarHBondContact O-N 3.4Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 3.31Å |
| 239 | S | 45.1 | Very low | 51.9 | Low | 73 Ų | 73 | 124.2 Ų | 124.2 | 51% | 0.51 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -82.2 | -31.4 | 179.2 | -167.7 | 0 | 0 | 0 | 0 | 112.6 | L236 L237 | L236-S239 PolarHBondContact O-N 3.01Å; L236-S239 VanDerWaalsContact O-N 3.16Å; L237-S239 VanDerWaalsContact C-N 3.31Å |
| 240 | E | 52.8 | Low | 51.8 | Low | 144 Ų | 144 | 124.5 Ų | 124.5 | 67% | 0.673 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79 | -25.8 | -179.9 | -70.5 | -167.2 | 146 | 0 | 0 | 113.4 | L236 K242 T243 | L236-E240 PolarHBondContact O-N 3.36Å; E240-K242 VanDerWaalsContact C-N 3.31Å; E240-K242 PolarHBondContact O-N 3.34Å; E240-T243 PolarHBondContact O-OG1 3.24Å |
| 241 | R | 52.2 | Low | 51.6 | Low | 220 Ų | 220 | 126.4 Ų | 126.4 | 83% | 0.83 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -71.3 | -21.4 | 173.5 | -83.8 | -168.1 | -151.5 | -178.2 | 7.2 | 113.9 | ||
| 242 | K | 52.5 | Low | 51.7 | Low | 172 Ų | 172 | 131.4 Ų | 131.4 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -89.8 | -14.9 | -178.3 | -100.7 | -179 | 177.3 | 176.9 | 0 | 114.8 | E240 | E240-K242 VanDerWaalsContact C-N 3.31Å; E240-K242 PolarHBondContact O-N 3.34Å |
| 243 | T | 53 | Low | 51.3 | Low | 112 Ų | 112 | 135.2 Ų | 135.2 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -94.8 | -3.1 | 179.1 | 42 | 0 | 0 | 0 | 0 | 114.7 | E240 | E240-T243 PolarHBondContact O-OG1 3.24Š|
| 244 | S | 46.3 | Very low | 51.1 | Low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -96.9 | 8 | 177 | -160.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 245 | L | 50.6 | Low | 50.7 | Low | 160 Ų | 160 | 136.2 Ų | 136.2 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | -124 | 30.3 | -177.9 | -111.1 | 160.4 | 0 | 0 | 0 | 113.1 | ||||
| 246 | I | 43.7 | Very low | 50.5 | Low | 223 Ų | 223 | 140.9 Ų | 140.9 | 100% | 1.144 | 72% | 0.723 | S | S | * | * | trans | -125.4 | 0 | 162.7 | -59.7 | 175.6 | 0 | 0 | 0 | 108.6 |
Retrieved 246 of 246 residues in 130.4 ms
(Link to these results)