| 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 | 29.2 | Very low | 28.6 | Very low | 244 Ų | 244 | 156.8 Ų | 156.8 | 100% | 1.202 | 89% | 0.893 | S | S | * | * | 0 | 143.7 | 0 | -82 | 175 | 158 | 0 | 0 | 108 | |||||
| 2 | S | 33.4 | Very low | 28.6 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 87% | 0.867 | 87% | 0.872 | S | S | * | * | trans | 95.7 | 81.2 | -172.3 | -51.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3 | E | 25.9 | Very low | 28.6 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 91% | 0.907 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 138.6 | 169.9 | -67.2 | 162 | 118.4 | 0 | 0 | 110.2 | ||
| 4 | L | 28.5 | Very low | 28.7 | Very low | 169 Ų | 169 | 161.9 Ų | 161.9 | 89% | 0.885 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 138.7 | 172.3 | -87.7 | 132.8 | 0 | 0 | 0 | 109.9 | ||
| 5 | P | 28.3 | Very low | 28.5 | Very low | 122 Ų | 122 | 160.9 Ų | 160.9 | 79% | 0.792 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 139.4 | -178.3 | 28.1 | -32.9 | 0 | 0 | 0 | 111.8 | A7 | P5-A7 PolarHBondContact O-N 3.43Š|
| 6 | E | 26.6 | Very low | 28.3 | Very low | 189 Ų | 189 | 162.2 Ų | 162.2 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 123.5 | -175.7 | -64.3 | 172.2 | 130.5 | 0 | 0 | 112 | V8 | E6-V8 PolarHBondContact O-N 3.3Š|
| 7 | A | 29.2 | Very low | 28 | Very low | 101 Ų | 101 | 167 Ų | 167 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 116.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | P5 E9 | P5-A7 PolarHBondContact O-N 3.43Å; A7-E9 PolarHBondContact O-N 3.24Å |
| 8 | V | 29.8 | Very low | 27.9 | Very low | 143 Ų | 143 | 167.8 Ų | 167.8 | 87% | 0.867 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 119.7 | 179.2 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | E6 | E6-V8 PolarHBondContact O-N 3.3Š|
| 9 | E | 26.5 | Very low | 27.6 | Very low | 197 Ų | 197 | 165.7 Ų | 165.7 | 92% | 0.921 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 130.7 | 165.8 | -80.5 | 178.2 | 126.4 | 0 | 0 | 110.9 | A7 | A7-E9 PolarHBondContact O-N 3.24Š|
| 10 | G | 27.7 | Very low | 27.5 | Very low | 75 Ų | 75 | 160.2 Ų | 160.2 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | trans | 152.3 | 55.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 11 | N | 29.4 | Very low | 27.5 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | -153.3 | 65 | 157.3 | -144.2 | -3.1 | 0 | 0 | 0 | 111.4 | ||||
| 12 | D | 29.1 | Very low | 27.5 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -80.4 | 130.6 | 174.1 | -162.4 | 14.1 | 0 | 0 | 0 | 109.8 | ||||
| 13 | R | 28.6 | Very low | 27.2 | Very low | 196 Ų | 196 | 149.1 Ų | 149.1 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | 58.7 | 91.1 | 159.9 | -68.2 | 151.6 | -163.1 | -153.7 | -0.7 | 117.9 | ||||
| 14 | R | 30 | Very low | 27.3 | Very low | 227 Ų | 227 | 145.3 Ų | 145.3 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | 177 | 105.6 | 106.3 | -93.7 | 168.2 | -70.6 | -178.1 | 2 | 109.9 | K16 | R14-K16 PolarHBondContact O-N 3.36Š| |||
| 15 | D | 25.2 | Very low | 27.2 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | 30.8 | 92.2 | 120.1 | -61.2 | -49.4 | 0 | 0 | 0 | 115.5 | |||||
| 16 | K | 25.7 | Very low | 27.2 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | -175.3 | 112.9 | 123.4 | -95.8 | 158.6 | -167.7 | -169.3 | 0 | 109.8 | R14 F18 | R14-K16 PolarHBondContact O-N 3.36Å; K16-F18 HydrophobicContact CB-CD2 4.04Å; K16-F18 HydrophobicContact CB-CE2 3.99Å; K16-F18 HydrophobicContact CD-CE2 4.45Å; K16-F18 HydrophobicContact CG-CE2 4.46Å; K16-F18 PolarHBondContact O-N 2.98Å | |||
| 17 | R | 23.3 | Very low | 27.3 | Very low | 244 Ų | 244 | 147 Ų | 147 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | trans | -42.6 | 107.9 | 159.3 | -61.8 | 173 | 176.7 | -161.5 | -2.8 | 109.5 | ||||
| 18 | F | 26 | Very low | 27.3 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | -130.1 | 72.7 | 157 | -80.7 | -79.2 | 0 | 0 | 0 | 108 | K16 G20 | K16-F18 HydrophobicContact CB-CD2 4.04Å; K16-F18 HydrophobicContact CB-CE2 3.99Å; K16-F18 HydrophobicContact CD-CE2 4.45Å; K16-F18 HydrophobicContact CG-CE2 4.46Å; K16-F18 PolarHBondContact O-N 2.98Å; F18-G20 PolarHBondContact O-N 3.04Å | ||
| 19 | S | 22.4 | Very low | 27.2 | Very low | 128 Ų | 128 | 148 Ų | 148 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | trans | -71.8 | 71.6 | 154.9 | -58 | 0 | 0 | 0 | 0 | 107.6 | A21 | S19-A21 PolarHBondContact O-N 3.36Š| ||
| 20 | G | 25.5 | Very low | 27.4 | Very low | 56 Ų | 56 | 145.2 Ų | 145.2 | 58% | 0.577 | 74% | 0.738 | S | S | * | * | trans | -89.4 | 83.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | F18 L22 | F18-G20 PolarHBondContact O-N 3.04Å; G20-L22 PolarHBondContact O-N 3.28Å; G20-L22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | A | 26.4 | Very low | 27.7 | Very low | 77 Ų | 77 | 146.2 Ų | 146.2 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -59 | 114.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | S19 L23 | S19-A21 PolarHBondContact O-N 3.36Å; A21-L23 PolarHBondContact O-N 3.34Å | ||
| 22 | L | 29.4 | Very low | 27.7 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 40% | 0.403 | 71% | 0.713 | S | S | . | * | trans | -69.2 | 79.4 | 163.1 | -157.6 | 89 | 0 | 0 | 0 | 106.3 | G20 L24 W70 | G20-L22 PolarHBondContact O-N 3.28Å; G20-L22 VanDerWaalsContact O-N 3.09Å; L22-L24 HydrophobicContact CD2-CD2 4.31Å; L22-L24 HydrophobicContact CD2-CG 4.18Å; L22-L24 PolarHBondContact O-N 3.5Å; L22-W70 HydrophobicContact CD1-CZ3 4.49Å | ||
| 23 | L | 27.3 | Very low | 27.8 | Very low | 141 Ų | 141 | 140 Ų | 140 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | trans | -63.7 | 91.8 | 159 | -80.8 | 160.4 | 0 | 0 | 0 | 104.7 | A21 N25 | A21-L23 PolarHBondContact O-N 3.34Å; L23-N25 PolarHBondContact O-N 2.88Å | ||
| 24 | L | 28.4 | Very low | 28 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 60% | 0.602 | 70% | 0.699 | S | S | * | * | trans | -55.2 | 92.8 | 155.2 | -77.1 | 164.7 | 0 | 0 | 0 | 104.6 | L22 R26 | L22-L24 HydrophobicContact CD2-CD2 4.31Å; L22-L24 HydrophobicContact CD2-CG 4.18Å; L22-L24 PolarHBondContact O-N 3.5Å; L24-R26 PolarHBondContact O-N 2.91Å | ||
| 25 | N | 26.7 | Very low | 28.2 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 52% | 0.524 | 68% | 0.678 | S | S | . | * | trans | -73.7 | 83.2 | -169.3 | -150.7 | -7.7 | 0 | 0 | 0 | 106.2 | L23 H27 Q28 | L23-N25 PolarHBondContact O-N 2.88Å; N25-H27 PolarHBondContact O-N 2.92Å; N25-H27 WeakPolarHBondContact OD1-CB 3.26Å; N25-Q28 PolarHBondContact O-N 3.47Å | ||
| 26 | R | 27.5 | Very low | 28.5 | Very low | 252 Ų | 252 | 125.7 Ų | 125.7 | 95% | 0.951 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 9.8 | 170.2 | -122.6 | -175.1 | -176 | -171.8 | 2 | 112.6 | L24 | L24-R26 PolarHBondContact O-N 2.91Š|
| 27 | H | 29.2 | Very low | 28.8 | Very low | 166 Ų | 166 | 123.4 Ų | 123.4 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -1.4 | -171 | -112.8 | -65.7 | 0 | 0 | 0 | 114.9 | N25 | N25-H27 PolarHBondContact O-N 2.92Å; N25-H27 WeakPolarHBondContact OD1-CB 3.26Å |
| 28 | Q | 28.4 | Very low | 29.1 | Very low | 151 Ų | 151 | 113.3 Ų | 113.3 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -136.9 | 95.9 | 173.5 | -68 | -176.9 | -17.3 | 0 | 0 | 109.5 | N25 | N25-Q28 PolarHBondContact O-N 3.47Š|
| 29 | N | 28 | Very low | 29.2 | Very low | 112 Ų | 112 | 112.7 Ų | 112.7 | 60% | 0.599 | 63% | 0.633 | S | S | * | * | trans | 68.1 | 98.1 | 170.2 | -136.8 | 1.7 | 0 | 0 | 0 | 116.6 | S31 | N29-S31 PolarHBondContact O-N 3.13Å; N29-S31 PolarHBondContact OD1-OG 3.09Å | ||
| 30 | P | 32.6 | Very low | 29.6 | Very low | 140 Ų | 140 | 109.4 Ų | 109.4 | 91% | 0.909 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 4.8 | 180 | 27 | -33.7 | 0 | 0 | 0 | 115.2 | ||
| 31 | S | 32.1 | Very low | 29.9 | Very low | 96 Ų | 96 | 109.7 Ų | 109.7 | 67% | 0.671 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -1.3 | -173.8 | 38.2 | 0 | 0 | 0 | 0 | 114.8 | N29 | N29-S31 PolarHBondContact O-N 3.13Å; N29-S31 PolarHBondContact OD1-OG 3.09Å |
| 32 | S | 29.6 | Very low | 30 | Very low | 67 Ų | 67 | 113.1 Ų | 113.1 | 47% | 0.469 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -111.8 | 6.7 | -175 | 73.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 33 | V | 32.2 | Very low | 30 | Very low | 88 Ų | 88 | 114.2 Ų | 114.2 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | trans | -111.6 | 97.3 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | V35 | V33-V35 HydrophobicContact CG1-CG2 3.97Å; V33-V35 PolarHBondContact O-N 2.79Å | ||
| 34 | A | 32 | Very low | 30 | Very low | 68 Ų | 68 | 112.2 Ų | 112.2 | 56% | 0.562 | 60% | 0.602 | S | S | * | * | trans | -84.7 | 93.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q36 | A34-Q36 PolarHBondContact O-N 2.74Å; A34-Q36 VanDerWaalsContact O-N 3.12Å | ||
| 35 | V | 35 | Very low | 30 | Very low | 67 Ų | 67 | 110.6 Ų | 110.6 | 41% | 0.406 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 99.3 | 165.6 | -171.7 | 0 | 0 | 0 | 0 | 107.2 | V33 H37 | V33-V35 HydrophobicContact CG1-CG2 3.97Å; V33-V35 PolarHBondContact O-N 2.79Å; V35-H37 PolarHBondContact O-N 2.9Å; V35-H37 VanDerWaalsContact O-N 3.14Å |
| 36 | Q | 31.9 | Very low | 30.1 | Very low | 134 Ų | 134 | 114.1 Ų | 114.1 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.3 | 97.2 | 174.4 | -157.6 | 175.2 | -6.4 | 0 | 0 | 108.2 | A34 S38 | A34-Q36 PolarHBondContact O-N 2.74Å; A34-Q36 VanDerWaalsContact O-N 3.12Å; Q36-S38 PolarHBondContact O-N 3.24Å |
| 37 | H | 31.3 | Very low | 30.1 | Very low | 133 Ų | 133 | 105 Ų | 105 | 62% | 0.616 | 60% | 0.595 | S | S | * | * | trans | -62.6 | 89.4 | 167.1 | -78.3 | -135.4 | 0 | 0 | 0 | 108.3 | V35 | V35-H37 PolarHBondContact O-N 2.9Å; V35-H37 VanDerWaalsContact O-N 3.14Å | ||
| 38 | S | 28.9 | Very low | 30.1 | Very low | 33 Ų | 33 | 102.9 Ų | 102.9 | 23% | 0.231 | 59% | 0.586 | C | S | . | * | trans | -107.1 | 119.9 | 168.4 | -61.1 | 0 | 0 | 0 | 0 | 106 | Q36 L40 | Q36-S38 PolarHBondContact O-N 3.24Å; S38-L40 VanDerWaalsContact CB-CD1 3.43Å; S38-L40 PolarHBondContact O-N 2.8Å | ||
| 39 | L | 29.6 | Very low | 30.4 | Very low | 168 Ų | 168 | 103.9 Ų | 103.9 | 88% | 0.88 | 58% | 0.584 | S | S | * | * | trans | -59.6 | 80.8 | 166.8 | -83.5 | 151.8 | 0 | 0 | 0 | 108 | ||||
| 40 | L | 30.8 | Very low | 30.9 | Very low | 59 Ų | 59 | 101.9 Ų | 101.9 | 31% | 0.309 | 57% | 0.573 | S | S | . | * | trans | -101.6 | 98.1 | -176.7 | -78.5 | 158 | 0 | 0 | 0 | 107.6 | S38 R54 | S38-L40 VanDerWaalsContact CB-CD1 3.43Å; S38-L40 PolarHBondContact O-N 2.8Å; L40-R54 HydrophobicContact CD1-CB 3.72Å; L40-R54 HydrophobicContact CD1-CG 4.11Å | ||
| 41 | A | 31 | Very low | 31.3 | Very low | 62 Ų | 62 | 97.4 Ų | 97.4 | 51% | 0.512 | 54% | 0.543 | S | S | . | . | trans | 67.7 | 124.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y43 | A41-Y43 HydrophobicContact CB-CD2 3.95Å; A41-Y43 HydrophobicContact CB-CE2 3.47Å; A41-Y43 VanDerWaalsContact CB-CE2 3.47Å; A41-Y43 PolarHBondContact O-N 2.92Å; A41-Y43 VanDerWaalsContact O-N 3.15Å | ||
| 42 | E | 28.1 | Very low | 31.6 | Very low | 149 Ų | 149 | 93.3 Ų | 93.3 | 70% | 0.696 | 52% | 0.515 | S | S | * | . | trans | -69.4 | 100.7 | 163.6 | -66.3 | -168.8 | 152.5 | 0 | 0 | 108.7 | R49 | E42-R49 IonicContact OE1-CZ 3.56Å; E42-R49 IonicContact OE1-NH1 2.84Å; E42-R49 PolarHBondContact OE1-NH1 2.83Å; E42-R49 IonicContact OE1-NH2 3.69Å; E42-R49 IonicContact OE2-CZ 3.49Å; E42-R49 IonicContact OE2-NH1 3.49Å; E42-R49 PolarHBondContact OE2-NH1 2.91Å; E42-R49 IonicContact OE2-NH2 2.86Å; E42-R49 PolarHBondContact OE2-NH2 3.48Å | ||
| 43 | Y | 30.2 | Very low | 32.2 | Very low | 100 Ų | 100 | 91.5 Ų | 91.5 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | trans | -90.6 | 109.5 | 168.2 | -70.6 | -84.2 | 0 | 0 | 0 | 109.5 | A41 V45 E83 | A41-Y43 HydrophobicContact CB-CD2 3.95Å; A41-Y43 HydrophobicContact CB-CE2 3.47Å; A41-Y43 VanDerWaalsContact CB-CE2 3.47Å; A41-Y43 PolarHBondContact O-N 2.92Å; A41-Y43 VanDerWaalsContact O-N 3.15Å; Y43-V45 PolarHBondContact O-N 3.05Å; Y43-E83 VanDerWaalsContact CZ-OE2 3.25Å; Y43-E83 PolarHBondContact OH-OE2 3.17Å | ||
| 44 | S | 27 | Very low | 32.4 | Very low | 98 Ų | 98 | 90.9 Ų | 90.9 | 69% | 0.685 | 49% | 0.49 | S | S | * | . | trans | -90.2 | 93.7 | 174 | 172.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 45 | V | 28.4 | Very low | 32.8 | Very low | 81 Ų | 81 | 88.7 Ų | 88.7 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | trans | -112.1 | 74 | 168.8 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | Y43 A47 F75 | Y43-V45 PolarHBondContact O-N 3.05Å; V45-A47 PolarHBondContact O-N 2.89Å; V45-F75 HydrophobicContact CB-CE1 4.38Å | ||
| 46 | N | 28.1 | Very low | 32.9 | Very low | 172 Ų | 172 | 87.2 Ų | 87.2 | 92% | 0.92 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 43.3 | 12.8 | 167.1 | -77.6 | -14.4 | 0 | 0 | 0 | 119.6 | ||
| 47 | A | 27.1 | Very low | 33.1 | Very low | 61 Ų | 61 | 83.7 Ų | 83.7 | 50% | 0.504 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -155.8 | 115.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | V45 | V45-A47 PolarHBondContact O-N 2.89Š|
| 48 | M | 30.3 | Very low | 33.2 | Very low | 121 Ų | 121 | 82.2 Ų | 82.2 | 60% | 0.596 | 45% | 0.449 | S | S | * | . | trans | 34.4 | 103.5 | 159.3 | -156.3 | 162.9 | -78.1 | 0 | 0 | 117.5 | L50 A76 | M48-L50 PolarHBondContact O-N 3.48Å; M48-A76 HydrophobicContact CB-CB 3.6Å; M48-A76 HydrophobicContact CG-CB 3.78Å; M48-A76 HydrophobicContact SD-CB 3.3Å; M48-A76 WeakPolarHBondContact SD-CB 3.15Å | ||
| 49 | R | 35.1 | Very low | 33.4 | Very low | 173 Ų | 173 | 88 Ų | 88 | 65% | 0.653 | 48% | 0.477 | S | S | * | . | trans | -58.2 | 120 | 176.3 | -69.6 | 173.8 | 165.3 | -139.9 | -15.2 | 111.4 | E42 | E42-R49 IonicContact OE1-CZ 3.56Å; E42-R49 IonicContact OE1-NH1 2.84Å; E42-R49 PolarHBondContact OE1-NH1 2.83Å; E42-R49 IonicContact OE1-NH2 3.69Å; E42-R49 IonicContact OE2-CZ 3.49Å; E42-R49 IonicContact OE2-NH1 3.49Å; E42-R49 PolarHBondContact OE2-NH1 2.91Å; E42-R49 IonicContact OE2-NH2 2.86Å; E42-R49 PolarHBondContact OE2-NH2 3.48Å | ||
| 50 | L | 37 | Very low | 33.7 | Very low | 69 Ų | 69 | 85.1 Ų | 85.1 | 36% | 0.361 | 46% | 0.461 | S | S | . | . | trans | -128.6 | 150.8 | 170.9 | -81 | 170.1 | 0 | 0 | 0 | 109.8 | M48 C52 L74 F75 | M48-L50 PolarHBondContact O-N 3.48Å; L50-C52 PolarHBondContact O-N 2.63Å; L50-L74 WeakPolarHBondContact CB-O 3.05Å; L50-L74 HydrophobicContact CD1-CB 4.22Å; L50-L74 WeakPolarHBondContact CD1-O 3.42Å; L50-F75 VanDerWaalsContact CD1-C 3.46Å | ||
| 51 | P | 41.7 | Very low | 33.7 | Very low | 46 Ų | 46 | 88.4 Ų | 88.4 | 30% | 0.299 | 48% | 0.484 | S | S | . | . | trans | -68.6 | 127.8 | -178.3 | 31.7 | -37.6 | 0 | 0 | 0 | 110.3 | M112 | P51-M112 HydrophobicContact CB-CE 3.84Å; P51-M112 HydrophobicContact CG-CE 3.4Å; P51-M112 VanDerWaalsContact CG-CE 3.4Å; P51-M112 HydrophobicContact CG-SD 3.78Å | ||
| 52 | C | 37.7 | Very low | 33.7 | Very low | 10 Ų | 10 | 90.5 Ų | 90.5 | 7% | 0.068 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 139.9 | 167.7 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | L50 V71 V72 C73 | L50-C52 PolarHBondContact O-N 2.63Å; C52-V71 HydrophobicContact CB-CG1 3.58Å; C52-V72 WeakPolarHBondContact CA-O 3.18Å; C52-C73 HydrophobicContact CB-CB 4.21Å; C52-C73 WeakPolarHBondContact CB-SG 3.39Å; C52-C73 WeakPolarHBondContact SG-CB 3.4Å; C52-C73 CovalentContact SG-SG 2.06Å; C52-C73 PolarHBondContact SG-SG 2.66Å |
| 53 | S | 42.2 | Very low | 33.8 | Very low | 29 Ų | 29 | 90.9 Ų | 90.9 | 20% | 0.203 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.8 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 110.7 | V72 | S53-V72 PolarHBondContact N-O 3.43Å; S53-V72 PolarHBondContact O-N 2.06Å |
| 54 | R | 38 | Very low | 33.7 | Very low | 76 Ų | 76 | 94.1 Ų | 94.1 | 29% | 0.287 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.1 | 172.8 | -163.9 | 179.9 | -163.9 | 149 | -5.3 | 108.5 | L40 H69 | L40-R54 HydrophobicContact CD1-CB 3.72Å; L40-R54 HydrophobicContact CD1-CG 4.11Å; R54-H69 PolarHBondContact NE-ND1 3.06Å; R54-H69 PolarHBondContact NH2-CD2 3.01Å; R54-H69 PolarHBondContact NH2-CE1 3.06Å; R54-H69 PolarHBondContact NH2-ND1 3.17Å; R54-H69 PolarHBondContact NH2-NE2 3.2Å |
| 55 | V | 39.2 | Very low | 33.7 | Very low | 21 Ų | 21 | 94.7 Ų | 94.7 | 13% | 0.127 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 107.4 | V57 W70 V72 | V55-V57 HydrophobicContact CG1-CG2 4.04Å; V55-W70 PolarHBondContact N-O 2.87Å; V55-V72 HydrophobicContact CG2-CG2 4.14Å |
| 56 | A | 37.4 | Very low | 33.9 | Very low | 36 Ų | 36 | 94 Ų | 94 | 30% | 0.298 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 125.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||
| 57 | V | 36 | Very low | 34 | Very low | 60 Ų | 60 | 95.1 Ų | 95.1 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | trans | -108.6 | 97.3 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 106.9 | V55 D59 | V55-V57 HydrophobicContact CG1-CG2 4.04Å; V57-D59 PolarHBondContact O-N 3.33Å; V57-D59 VanDerWaalsContact O-N 3.07Å | ||
| 58 | D | 33.9 | Very low | 34.4 | Very low | 103 Ų | 103 | 95.7 Ų | 95.7 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | trans | -81.9 | 51.6 | 178.8 | -77.5 | -21.6 | 0 | 0 | 0 | 111.6 | ||||
| 59 | D | 33.1 | Very low | 34.8 | Very low | 154 Ų | 154 | 94.2 Ų | 94.2 | 82% | 0.824 | 51% | 0.513 | S | S | * | . | trans | -161.5 | 43.7 | 174.1 | -104.7 | -23 | 0 | 0 | 0 | 114.7 | V57 | V57-D59 PolarHBondContact O-N 3.33Å; V57-D59 VanDerWaalsContact O-N 3.07Å | ||
| 60 | I | 34.4 | Very low | 35 | Very low | 107 Ų | 107 | 88.9 Ų | 88.9 | 55% | 0.549 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -117.5 | 108.4 | 155.9 | -59.5 | 175.8 | 0 | 0 | 0 | 105.9 | P62 L68 | I60-P62 WeakPolarHBondContact O-CD 2.89Å; I60-L68 HydrophobicContact CD1-CD1 4Å |
| 61 | T | 30.9 | Very low | 35.3 | Very low | 128 Ų | 128 | 86.8 Ų | 86.8 | 79% | 0.785 | 48% | 0.483 | S | S | * | . | trans | -45.4 | 115 | 176.9 | 12.4 | 0 | 0 | 0 | 0 | 109.6 | D63 | T61-D63 PolarHBondContact O-N 2.73Å; T61-D63 VanDerWaalsContact O-N 3.08Å | ||
| 62 | P | 32 | Very low | 35.6 | Very low | 106 Ų | 106 | 85.8 Ų | 85.8 | 69% | 0.688 | 48% | 0.476 | S | S | * | . | trans | -77.6 | 100.8 | -176.2 | 29.4 | -30.5 | 0 | 0 | 0 | 108 | I60 D64 | I60-P62 WeakPolarHBondContact O-CD 2.89Å; P62-D64 PolarHBondContact O-N 2.74Å | ||
| 63 | D | 29.9 | Very low | 35.9 | Very low | 157 Ų | 157 | 85.6 Ų | 85.6 | 84% | 0.84 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -69.7 | 87.6 | 149.3 | -72.1 | -7.6 | 0 | 0 | 0 | 106.1 | T61 S65 | T61-D63 PolarHBondContact O-N 2.73Å; T61-D63 VanDerWaalsContact O-N 3.08Å; D63-S65 VanDerWaalsContact C-N 3.34Å; D63-S65 PolarHBondContact O-N 2.88Å |
| 64 | D | 28.1 | Very low | 36.1 | Very low | 169 Ų | 169 | 87.5 Ų | 87.5 | 90% | 0.904 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 57 | -0.7 | 157.6 | -82.9 | -25.6 | 0 | 0 | 0 | 122.3 | P62 | P62-D64 PolarHBondContact O-N 2.74Š|
| 65 | S | 27.7 | Very low | 36.5 | Very low | 109 Ų | 109 | 85.2 Ų | 85.2 | 76% | 0.762 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -164.1 | 121.4 | 171.8 | 57.7 | 0 | 0 | 0 | 0 | 114 | D63 | D63-S65 VanDerWaalsContact C-N 3.34Å; D63-S65 PolarHBondContact O-N 2.88Å |
| 66 | G | 31.4 | Very low | 36.6 | Very low | 66 Ų | 66 | 87 Ų | 87 | 68% | 0.68 | 49% | 0.492 | S | S | * | . | trans | 115.9 | 101.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L68 | G66-L68 PolarHBondContact O-N 3.14Å; G66-L68 VanDerWaalsContact O-N 3.1Å | ||
| 67 | W | 31.7 | Very low | 37.1 | Very low | 196 Ų | 196 | 90 Ų | 90 | 74% | 0.742 | 50% | 0.503 | S | S | * | . | trans | -55.7 | 114.2 | 155.3 | -65.3 | 86.8 | 0 | 0 | 0 | 108.3 | H69 | W67-H69 PolarHBondContact O-N 3.09Š| ||
| 68 | L | 34.8 | Very low | 37.6 | Very low | 74 Ų | 74 | 89.8 Ų | 89.8 | 39% | 0.387 | 51% | 0.513 | S | S | . | . | trans | -75.5 | 103.1 | 169.8 | -99.6 | 153.6 | 0 | 0 | 0 | 107.4 | I60 G66 | I60-L68 HydrophobicContact CD1-CD1 4Å; G66-L68 PolarHBondContact O-N 3.14Å; G66-L68 VanDerWaalsContact O-N 3.1Å | ||
| 69 | H | 37.7 | Very low | 38.1 | Very low | 89 Ų | 89 | 88.8 Ų | 88.8 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 114.9 | 172.6 | -66.2 | -59.9 | 0 | 0 | 0 | 109.3 | R54 W67 | R54-H69 PolarHBondContact NE-ND1 3.06Å; R54-H69 PolarHBondContact NH2-CD2 3.01Å; R54-H69 PolarHBondContact NH2-CE1 3.06Å; R54-H69 PolarHBondContact NH2-ND1 3.17Å; R54-H69 PolarHBondContact NH2-NE2 3.2Å; W67-H69 PolarHBondContact O-N 3.09Å |
| 70 | W | 41.2 | Very low | 38.9 | Very low | 62 Ų | 62 | 81.7 Ų | 81.7 | 24% | 0.235 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.4 | 175.9 | -61.1 | 47.1 | 0 | 0 | 0 | 106.7 | L22 V55 | L22-W70 HydrophobicContact CD1-CZ3 4.49Å; V55-W70 PolarHBondContact N-O 2.87Å |
| 71 | V | 42.9 | Very low | 39.6 | Very low | 24 Ų | 24 | 78.8 Ų | 78.8 | 15% | 0.145 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 111.7 | 167.4 | 179.8 | 0 | 0 | 0 | 0 | 106.2 | C52 F82 | C52-V71 HydrophobicContact CB-CG1 3.58Å; V71-F82 WeakPolarHBondContact O-CA 3.31Å |
| 72 | V | 47.7 | Very low | 40.7 | Very low | 25 Ų | 25 | 75 Ų | 75 | 15% | 0.152 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.8 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | C52 S53 V55 A80 L91 | C52-V72 WeakPolarHBondContact CA-O 3.18Å; S53-V72 PolarHBondContact N-O 3.43Å; S53-V72 PolarHBondContact O-N 2.06Å; V55-V72 HydrophobicContact CG2-CG2 4.14Å; V72-A80 HydrophobicContact CG1-CB 4.19Å; V72-L91 HydrophobicContact CG1-CD2 4.32Å; V72-L91 HydrophobicContact CG2-CD2 4.42Å |
| 73 | C | 43.4 | Very low | 41.4 | Very low | 7 Ų | 7 | 72.1 Ų | 72.1 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 121.7 | 171.9 | -64.2 | 0 | 0 | 0 | 0 | 108.6 | C52 F75 A80 Y81 | C52-C73 HydrophobicContact CB-CB 4.21Å; C52-C73 WeakPolarHBondContact CB-SG 3.39Å; C52-C73 WeakPolarHBondContact SG-CB 3.4Å; C52-C73 CovalentContact SG-SG 2.06Å; C52-C73 PolarHBondContact SG-SG 2.66Å; C73-F75 HydrophobicContact CB-CD2 4.35Å; C73-F75 HydrophobicContact CB-CE2 3.61Å; C73-F75 HydrophobicContact CB-CZ 4.23Å; C73-F75 WeakPolarHBondContact O-CD2 3.45Å; C73-A80 VanDerWaalsContact O-CA 3.31Å; C73-A80 WeakPolarHBondContact O-CA 3.46Å; C73-Y81 PolarHBondContact N-O 3.1Å; C73-Y81 VanDerWaalsContact N-O 3.09Å; C73-Y81 PolarHBondContact O-N 2.89Å |
| 74 | L | 47.3 | Very low | 42.2 | Very low | 68 Ų | 68 | 71.8 Ų | 71.8 | 36% | 0.356 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 137.4 | 170.8 | -67.7 | 167.6 | 0 | 0 | 0 | 108.1 | L50 A80 | L50-L74 WeakPolarHBondContact CB-O 3.05Å; L50-L74 HydrophobicContact CD1-CB 4.22Å; L50-L74 WeakPolarHBondContact CD1-O 3.42Å; L74-A80 HydrophobicContact CD2-CB 4.31Å |
| 75 | F | 46.5 | Very low | 43.2 | Very low | 29 Ų | 29 | 70.3 Ų | 70.3 | 13% | 0.127 | 38% | 0.381 | C | S | . | . | trans | -115 | 155.6 | 175.9 | -70.4 | -102.4 | 0 | 0 | 0 | 109.8 | V45 L50 C73 D77 G78 L79 Y81 | V45-F75 HydrophobicContact CB-CE1 4.38Å; L50-F75 VanDerWaalsContact CD1-C 3.46Å; C73-F75 HydrophobicContact CB-CD2 4.35Å; C73-F75 HydrophobicContact CB-CE2 3.61Å; C73-F75 HydrophobicContact CB-CZ 4.23Å; C73-F75 WeakPolarHBondContact O-CD2 3.45Å; F75-D77 WeakPolarHBondContact CB-OD1 3.22Å; F75-D77 PolarHBondContact O-N 3.45Å; F75-D77 VanDerWaalsContact O-N 3.13Å; F75-G78 PolarHBondContact O-N 3.15Å; F75-L79 PolarHBondContact N-O 3.07Å; F75-Y81 HydrophobicContact CB-CE2 4.25Å; F75-Y81 HydrophobicContact CD1-CE2 4.44Å; F75-Y81 AromaticContact CD2-CD2 3.08Å; F75-Y81 HydrophobicContact CD2-CD2 3.08Å; F75-Y81 AromaticContact CD2-CE2 3.24Å; F75-Y81 HydrophobicContact CD2-CE2 3.24Å; F75-Y81 HydrophobicContact CD2-CG 4.21Å; F75-Y81 AromaticContact CE2-CD2 3.02Å; F75-Y81 HydrophobicContact CE2-CD2 3.02Å; F75-Y81 AromaticContact CE2-CE2 3.52Å; F75-Y81 HydrophobicContact CE2-CE2 3.52Å; F75-Y81 AromaticContact CE2-CG 3.74Å; F75-Y81 HydrophobicContact CE2-CG 3.74Å; F75-Y81 HydrophobicContact CG-CD2 4.05Å; F75-Y81 AromaticContact CG-CE2 3.74Å; F75-Y81 HydrophobicContact CG-CE2 3.74Å; F75-Y81 AromaticContact CZ-CD2 3.98Å; F75-Y81 HydrophobicContact CZ-CD2 3.98Å; F75-Y81 HydrophobicContact CZ-CE2 4.23Å; F75-Y81 HydrophobicContact CZ-CG 4.49Å | ||
| 76 | A | 40.3 | Very low | 43.8 | Very low | 59 Ų | 59 | 67.9 Ų | 67.9 | 49% | 0.488 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -14.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | M48 G78 | M48-A76 HydrophobicContact CB-CB 3.6Å; M48-A76 HydrophobicContact CG-CB 3.78Å; M48-A76 HydrophobicContact SD-CB 3.3Å; M48-A76 WeakPolarHBondContact SD-CB 3.15Å; A76-G78 PolarHBondContact O-N 3.46Å |
| 77 | D | 48 | Very low | 44.5 | Very low | 98 Ų | 98 | 71.2 Ų | 71.2 | 52% | 0.524 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 1 | 171.1 | 59.6 | 6.1 | 0 | 0 | 0 | 113.1 | F75 L79 | F75-D77 WeakPolarHBondContact CB-OD1 3.22Å; F75-D77 PolarHBondContact O-N 3.45Å; F75-D77 VanDerWaalsContact O-N 3.13Å; D77-L79 VanDerWaalsContact C-N 3.26Å; D77-L79 HydrophobicContact CB-CG 4.5Å; D77-L79 PolarHBondContact O-N 2.79Å; D77-L79 VanDerWaalsContact OD1-CB 3.26Å; D77-L79 WeakPolarHBondContact OD1-CB 3.31Å; D77-L79 PolarHBondContact OD1-N 3.08Å; D77-L79 WeakPolarHBondContact OD2-CD1 3.41Å |
| 78 | G | 46.8 | Very low | 45.2 | Very low | 55 Ų | 55 | 66 Ų | 66 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 79.1 | 6.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F75 A76 | F75-G78 PolarHBondContact O-N 3.15Å; A76-G78 PolarHBondContact O-N 3.46Å |
| 79 | L | 44.8 | Very low | 45.7 | Very low | 83 Ų | 83 | 64.6 Ų | 64.6 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | trans | -87.5 | 139.2 | 177.4 | -59.9 | 179.7 | 0 | 0 | 0 | 110.5 | F75 D77 Y81 | F75-L79 PolarHBondContact N-O 3.07Å; D77-L79 VanDerWaalsContact C-N 3.26Å; D77-L79 HydrophobicContact CB-CG 4.5Å; D77-L79 PolarHBondContact O-N 2.79Å; D77-L79 VanDerWaalsContact OD1-CB 3.26Å; D77-L79 WeakPolarHBondContact OD1-CB 3.31Å; D77-L79 PolarHBondContact OD1-N 3.08Å; D77-L79 WeakPolarHBondContact OD2-CD1 3.41Å; L79-Y81 HydrophobicContact CB-CD2 4.32Å; L79-Y81 HydrophobicContact CB-CE2 3.52Å; L79-Y81 WeakPolarHBondContact CD1-OH 3.22Å | ||
| 80 | A | 50.4 | Low | 46 | Very low | 4 Ų | 4 | 65.7 Ų | 65.7 | 3% | 0.033 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 145.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | V72 C73 L74 L91 I93 | V72-A80 HydrophobicContact CG1-CB 4.19Å; C73-A80 VanDerWaalsContact O-CA 3.31Å; C73-A80 WeakPolarHBondContact O-CA 3.46Å; L74-A80 HydrophobicContact CD2-CB 4.31Å; A80-L91 HydrophobicContact CB-CB 4.02Å; A80-L91 HydrophobicContact CB-CD2 4.1Å; A80-L91 HydrophobicContact CB-CG 4.49Å; A80-L91 CarbonylContact O-C 3.49Å; A80-L91 VanDerWaalsContact O-CA 3.31Å; A80-L91 WeakPolarHBondContact O-CA 3.2Å; A80-L91 WeakPolarHBondContact O-CB 3.36Å; A80-L91 PolarHBondContact O-N 2.97Å; A80-I93 HydrophobicContact CB-CD1 3.73Å; A80-I93 HydrophobicContact CB-CG1 4.02Å |
| 81 | Y | 48.6 | Very low | 46.2 | Very low | 46 Ų | 46 | 63.8 Ų | 63.8 | 18% | 0.18 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 145 | 175.4 | -58.6 | -112.2 | 0 | 0 | 0 | 108.2 | C73 F75 L79 S89 N90 | C73-Y81 PolarHBondContact N-O 3.1Å; C73-Y81 VanDerWaalsContact N-O 3.09Å; C73-Y81 PolarHBondContact O-N 2.89Å; F75-Y81 HydrophobicContact CB-CE2 4.25Å; F75-Y81 HydrophobicContact CD1-CE2 4.44Å; F75-Y81 AromaticContact CD2-CD2 3.08Å; F75-Y81 HydrophobicContact CD2-CD2 3.08Å; F75-Y81 AromaticContact CD2-CE2 3.24Å; F75-Y81 HydrophobicContact CD2-CE2 3.24Å; F75-Y81 HydrophobicContact CD2-CG 4.21Å; F75-Y81 AromaticContact CE2-CD2 3.02Å; F75-Y81 HydrophobicContact CE2-CD2 3.02Å; F75-Y81 AromaticContact CE2-CE2 3.52Å; F75-Y81 HydrophobicContact CE2-CE2 3.52Å; F75-Y81 AromaticContact CE2-CG 3.74Å; F75-Y81 HydrophobicContact CE2-CG 3.74Å; F75-Y81 HydrophobicContact CG-CD2 4.05Å; F75-Y81 AromaticContact CG-CE2 3.74Å; F75-Y81 HydrophobicContact CG-CE2 3.74Å; F75-Y81 AromaticContact CZ-CD2 3.98Å; F75-Y81 HydrophobicContact CZ-CD2 3.98Å; F75-Y81 HydrophobicContact CZ-CE2 4.23Å; F75-Y81 HydrophobicContact CZ-CG 4.49Å; L79-Y81 HydrophobicContact CB-CD2 4.32Å; L79-Y81 HydrophobicContact CB-CE2 3.52Å; L79-Y81 WeakPolarHBondContact CD1-OH 3.22Å; Y81-S89 WeakPolarHBondContact CA-O 3.49Å; Y81-N90 WeakPolarHBondContact CD1-OD1 3.3Å; Y81-N90 WeakPolarHBondContact CE1-OD1 3.41Å |
| 82 | F | 53.2 | Low | 46 | Very low | 48 Ų | 48 | 70.3 Ų | 70.3 | 21% | 0.211 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134 | 170.1 | 70.6 | -85.3 | 0 | 0 | 0 | 109.8 | V71 R84 S89 L91 | V71-F82 WeakPolarHBondContact O-CA 3.31Å; F82-R84 HydrophobicContact CD2-CB 4.3Å; F82-R84 HydrophobicContact CE2-CB 4.29Å; F82-S89 WeakPolarHBondContact CD1-O 3.37Å; F82-S89 VanDerWaalsContact CE1-CB 3.42Å; F82-S89 PolarHBondContact N-O 2.9Å; F82-S89 PolarHBondContact O-N 3.49Å; F82-L91 HydrophobicContact CD1-CB 3.94Å; F82-L91 HydrophobicContact CD1-CD1 3.6Å; F82-L91 HydrophobicContact CD1-CG 4.28Å; F82-L91 HydrophobicContact CE1-CD1 4.08Å; F82-L91 HydrophobicContact CG-CD1 4.46Å |
| 83 | E | 47 | Very low | 45.7 | Very low | 47 Ų | 47 | 72.5 Ų | 72.5 | 22% | 0.22 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.5 | 169.9 | -166.9 | -170.3 | 155.6 | 0 | 0 | 109.5 | Y43 G86 H87 | Y43-E83 VanDerWaalsContact CZ-OE2 3.25Å; Y43-E83 PolarHBondContact OH-OE2 3.17Å; E83-G86 WeakPolarHBondContact OE1-CA 3.31Å; E83-H87 WeakPolarHBondContact CA-O 3.49Å |
| 84 | R | 46.6 | Very low | 45.2 | Very low | 150 Ų | 150 | 83.1 Ų | 83.1 | 57% | 0.566 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 123.6 | 170 | 176.7 | 179.2 | 175.3 | 174.6 | 6.2 | 108.9 | F82 G86 H87 | F82-R84 HydrophobicContact CD2-CB 4.3Å; F82-R84 HydrophobicContact CE2-CB 4.29Å; R84-G86 PolarHBondContact O-N 3.05Å; R84-H87 PolarHBondContact N-O 2.86Å; R84-H87 WeakPolarHBondContact O-CA 3.37Å; R84-H87 WeakPolarHBondContact O-CB 3.37Å; R84-H87 PolarHBondContact O-N 2.86Å |
| 85 | D | 48.4 | Very low | 44.6 | Very low | 138 Ų | 138 | 83.1 Ų | 83.1 | 74% | 0.738 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 36.5 | 174.3 | -55.1 | -45.4 | 0 | 0 | 0 | 113.8 | H87 | D85-H87 VanDerWaalsContact C-N 3.3Å; D85-H87 PolarHBondContact O-N 2.71Å |
| 86 | G | 42 | Very low | 43.8 | Very low | 58 Ų | 58 | 84.2 Ų | 84.2 | 60% | 0.598 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 2.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E83 R84 | E83-G86 WeakPolarHBondContact OE1-CA 3.31Å; R84-G86 PolarHBondContact O-N 3.05Å |
| 87 | H | 44.9 | Very low | 43.3 | Very low | 136 Ų | 136 | 86 Ų | 86 | 63% | 0.63 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.6 | 176.2 | -70.5 | -77.9 | 0 | 0 | 0 | 111.5 | E83 R84 D85 S89 | E83-H87 WeakPolarHBondContact CA-O 3.49Å; R84-H87 PolarHBondContact N-O 2.86Å; R84-H87 WeakPolarHBondContact O-CA 3.37Å; R84-H87 WeakPolarHBondContact O-CB 3.37Å; R84-H87 PolarHBondContact O-N 2.86Å; D85-H87 VanDerWaalsContact C-N 3.3Å; D85-H87 PolarHBondContact O-N 2.71Å; H87-S89 PolarHBondContact O-N 2.84Å |
| 88 | L | 46.5 | Very low | 42.3 | Very low | 86 Ų | 86 | 89 Ų | 89 | 45% | 0.45 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 121.6 | 165.8 | -82.3 | 154.1 | 0 | 0 | 0 | 109.6 | ||
| 89 | S | 45.3 | Very low | 41.4 | Very low | 45 Ų | 45 | 89.3 Ų | 89.3 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.5 | 174.2 | -66 | 0 | 0 | 0 | 0 | 109.8 | Y81 F82 H87 L91 | Y81-S89 WeakPolarHBondContact CA-O 3.49Å; F82-S89 WeakPolarHBondContact CD1-O 3.37Å; F82-S89 VanDerWaalsContact CE1-CB 3.42Å; F82-S89 PolarHBondContact N-O 2.9Å; F82-S89 PolarHBondContact O-N 3.49Å; H87-S89 PolarHBondContact O-N 2.84Å; S89-L91 PolarHBondContact O-N 3.33Å |
| 90 | N | 43.8 | Very low | 40.6 | Very low | 111 Ų | 111 | 90.3 Ų | 90.3 | 59% | 0.594 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 123.3 | 175.5 | -66.5 | -6.4 | 0 | 0 | 0 | 109.3 | Y81 | Y81-N90 WeakPolarHBondContact CD1-OD1 3.3Å; Y81-N90 WeakPolarHBondContact CE1-OD1 3.41Å |
| 91 | L | 46.1 | Very low | 39.7 | Very low | 23 Ų | 23 | 94.1 Ų | 94.1 | 12% | 0.12 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 99.6 | 169.6 | -163.9 | 65.7 | 0 | 0 | 0 | 107.3 | V72 A80 F82 S89 I93 | V72-L91 HydrophobicContact CG1-CD2 4.32Å; V72-L91 HydrophobicContact CG2-CD2 4.42Å; A80-L91 HydrophobicContact CB-CB 4.02Å; A80-L91 HydrophobicContact CB-CD2 4.1Å; A80-L91 HydrophobicContact CB-CG 4.49Å; A80-L91 CarbonylContact O-C 3.49Å; A80-L91 VanDerWaalsContact O-CA 3.31Å; A80-L91 WeakPolarHBondContact O-CA 3.2Å; A80-L91 WeakPolarHBondContact O-CB 3.36Å; A80-L91 PolarHBondContact O-N 2.97Å; F82-L91 HydrophobicContact CD1-CB 3.94Å; F82-L91 HydrophobicContact CD1-CD1 3.6Å; F82-L91 HydrophobicContact CD1-CG 4.28Å; F82-L91 HydrophobicContact CE1-CD1 4.08Å; F82-L91 HydrophobicContact CG-CD1 4.46Å; S89-L91 PolarHBondContact O-N 3.33Å; L91-I93 HydrophobicContact CB-CG1 4.33Å; L91-I93 HydrophobicContact CD2-CD1 3.47Å; L91-I93 VanDerWaalsContact CD2-CD1 3.47Å; L91-I93 HydrophobicContact CD2-CG1 3.53Å; L91-I93 HydrophobicContact CG-CD1 4.09Å; L91-I93 HydrophobicContact CG-CG1 3.53Å; L91-I93 PolarHBondContact O-N 3.12Å |
| 92 | L | 38 | Very low | 38.8 | Very low | 161 Ų | 161 | 96.8 Ų | 96.8 | 84% | 0.843 | 53% | 0.527 | S | S | * | . | trans | -70 | 87 | 164.9 | -92.4 | 106.1 | 0 | 0 | 0 | 108.7 | ||||
| 93 | I | 41.7 | Very low | 37.5 | Very low | 71 Ų | 71 | 102 Ų | 102 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | trans | -88.6 | 128.2 | 162.9 | -49.5 | -176.5 | 0 | 0 | 0 | 107.5 | A80 L91 I95 | A80-I93 HydrophobicContact CB-CD1 3.73Å; A80-I93 HydrophobicContact CB-CG1 4.02Å; L91-I93 HydrophobicContact CB-CG1 4.33Å; L91-I93 HydrophobicContact CD2-CD1 3.47Å; L91-I93 VanDerWaalsContact CD2-CD1 3.47Å; L91-I93 HydrophobicContact CD2-CG1 3.53Å; L91-I93 HydrophobicContact CG-CD1 4.09Å; L91-I93 HydrophobicContact CG-CG1 3.53Å; L91-I93 PolarHBondContact O-N 3.12Å; I93-I95 HydrophobicContact CB-CG1 4.31Å; I93-I95 HydrophobicContact CG2-CG1 3.88Å; I93-I95 PolarHBondContact O-N 3.14Å | ||
| 94 | W | 32.9 | Very low | 36.6 | Very low | 230 Ų | 230 | 104.9 Ų | 104.9 | 87% | 0.871 | 58% | 0.578 | S | S | * | * | trans | -80.2 | 100 | 162.4 | -140.7 | 76.3 | 0 | 0 | 0 | 107.8 | P96 | W94-P96 HydrophobicContact CE3-CG 4.42Å; W94-P96 HydrophobicContact CZ3-CB 4.39Å; W94-P96 WeakPolarHBondContact O-CD 3.34Å | ||
| 95 | I | 34.9 | Very low | 35.6 | Very low | 67 Ų | 67 | 105.4 Ų | 105.4 | 34% | 0.344 | 59% | 0.587 | S | S | . | * | trans | -89.5 | 113.1 | 167.9 | -55.6 | 175.7 | 0 | 0 | 0 | 105.2 | I93 A97 | I93-I95 HydrophobicContact CB-CG1 4.31Å; I93-I95 HydrophobicContact CG2-CG1 3.88Å; I93-I95 PolarHBondContact O-N 3.14Å; I95-A97 PolarHBondContact O-N 3Å | ||
| 96 | P | 30.3 | Very low | 34.7 | Very low | 53 Ų | 53 | 105.8 Ų | 105.8 | 34% | 0.344 | 59% | 0.589 | S | S | . | * | trans | -53.6 | 139.3 | 173.3 | -17.1 | 24 | 0 | 0 | 0 | 108.6 | W94 N98 S99 | W94-P96 HydrophobicContact CE3-CG 4.42Å; W94-P96 HydrophobicContact CZ3-CB 4.39Å; W94-P96 WeakPolarHBondContact O-CD 3.34Å; P96-N98 PolarHBondContact O-N 2.96Å; P96-S99 VanDerWaalsContact CB-OG 3.22Å; P96-S99 WeakPolarHBondContact CB-OG 3.15Å; P96-S99 WeakPolarHBondContact CD-OG 3.16Å; P96-S99 WeakPolarHBondContact CG-OG 3.12Å; P96-S99 WeakPolarHBondContact O-CA 3.05Å; P96-S99 VanDerWaalsContact O-CB 3.31Å; P96-S99 WeakPolarHBondContact O-CB 3.37Å; P96-S99 PolarHBondContact O-N 3.01Å | ||
| 97 | A | 29.3 | Very low | 34.2 | Very low | 95 Ų | 95 | 110.7 Ų | 110.7 | 79% | 0.785 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -22.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I95 | I95-A97 PolarHBondContact O-N 3Š|
| 98 | N | 26.8 | Very low | 33.4 | Very low | 163 Ų | 163 | 108.4 Ų | 108.4 | 87% | 0.872 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 10.4 | 176.4 | -65.6 | -7 | 0 | 0 | 0 | 113.8 | P96 | P96-N98 PolarHBondContact O-N 2.96Š|
| 99 | S | 28.3 | Very low | 32.5 | Very low | 61 Ų | 61 | 107.8 Ų | 107.8 | 43% | 0.427 | 61% | 0.61 | S | S | . | * | trans | -116.8 | 20.4 | -177.5 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | P96 P101 | P96-S99 VanDerWaalsContact CB-OG 3.22Å; P96-S99 WeakPolarHBondContact CB-OG 3.15Å; P96-S99 WeakPolarHBondContact CD-OG 3.16Å; P96-S99 WeakPolarHBondContact CG-OG 3.12Å; P96-S99 WeakPolarHBondContact O-CA 3.05Å; P96-S99 VanDerWaalsContact O-CB 3.31Å; P96-S99 WeakPolarHBondContact O-CB 3.37Å; P96-S99 PolarHBondContact O-N 3.01Å; S99-P101 WeakPolarHBondContact O-CD 3.38Å | ||
| 100 | C | 27.5 | Very low | 31.9 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 70% | 0.703 | 64% | 0.641 | S | S | * | * | trans | -44 | 114.8 | 167.4 | -93.3 | 0 | 0 | 0 | 0 | 109.5 | L102 | C100-L102 PolarHBondContact O-N 3.01Å; C100-L102 VanDerWaalsContact O-N 3.14Å | ||
| 101 | P | 31.6 | Very low | 31 | Very low | 84 Ų | 84 | 116.4 Ų | 116.4 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -72.1 | 109 | 157.6 | 28.9 | -21.7 | 0 | 0 | 0 | 105.5 | S99 | S99-P101 WeakPolarHBondContact O-CD 3.38Š|
| 102 | L | 29.2 | Very low | 30.1 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 53% | 0.529 | 68% | 0.676 | S | S | . | * | trans | 84.8 | 112.7 | 155.4 | -54.4 | 153.7 | 0 | 0 | 0 | 115.5 | C100 C104 | C100-L102 PolarHBondContact O-N 3.01Å; C100-L102 VanDerWaalsContact O-N 3.14Å; L102-C104 PolarHBondContact O-N 2.79Å; L102-C104 VanDerWaalsContact O-N 3.17Å | ||
| 103 | M | 26.1 | Very low | 29.5 | Very low | 159 Ų | 159 | 120.9 Ų | 120.9 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | trans | -52.9 | 111.9 | 163.9 | -59.3 | 174 | 77.5 | 0 | 0 | 108.7 | E105 | M103-E105 PolarHBondContact O-N 3.17Š| ||
| 104 | C | 28 | Very low | 28.9 | Very low | 106 Ų | 106 | 121 Ų | 121 | 72% | 0.716 | 68% | 0.675 | S | S | * | * | trans | -78.5 | 77.2 | 163.8 | -67.8 | 0 | 0 | 0 | 0 | 108.3 | L102 M107 | L102-C104 PolarHBondContact O-N 2.79Å; L102-C104 VanDerWaalsContact O-N 3.17Å; C104-M107 HydrophobicContact CB-CE 4.49Å | ||
| 105 | E | 26.3 | Very low | 28.6 | Very low | 162 Ų | 162 | 121.4 Ų | 121.4 | 76% | 0.757 | 69% | 0.692 | S | S | * | * | trans | -90.5 | 123.2 | 160.5 | -77.1 | -172.8 | 135.8 | 0 | 0 | 108.6 | M103 | M103-E105 PolarHBondContact O-N 3.17Š| ||
| 106 | D | 29.9 | Very low | 28.3 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | trans | 67 | 84.3 | 169.9 | -113.5 | -19.5 | 0 | 0 | 0 | 118.6 | A108 | D106-A108 PolarHBondContact O-N 2.72Š| ||
| 107 | M | 31.2 | Very low | 28.2 | Very low | 161 Ų | 161 | 127.8 Ų | 127.8 | 79% | 0.793 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 41.7 | 169.6 | -64.6 | -176.5 | 179.6 | 0 | 0 | 113.8 | C104 | C104-M107 HydrophobicContact CB-CE 4.49Š|
| 108 | A | 28.2 | Very low | 28.1 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -11.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | D106 | D106-A108 PolarHBondContact O-N 2.72Š|
| 109 | A | 28.2 | Very low | 28.2 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 60% | 0.603 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -124.3 | 120.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q111 | A109-Q111 PolarHBondContact O-N 3.03Š|
| 110 | N | 30.8 | Very low | 28.2 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 96% | 0.963 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -62.8 | 39.4 | 176.4 | -81 | -22.3 | 0 | 0 | 0 | 114.4 | ||
| 111 | Q | 25 | Very low | 28.2 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | -139.1 | 102.5 | -178 | -66 | -172.8 | -9.5 | 0 | 0 | 108.8 | A109 | A109-Q111 PolarHBondContact O-N 3.03Š| ||
| 112 | M | 28.7 | Very low | 28 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | trans | -79.2 | 119.6 | 164.6 | -84 | 175.2 | -68 | 0 | 0 | 108.6 | P51 | P51-M112 HydrophobicContact CB-CE 3.84Å; P51-M112 HydrophobicContact CG-CE 3.4Å; P51-M112 VanDerWaalsContact CG-CE 3.4Å; P51-M112 HydrophobicContact CG-SD 3.78Å | ||
| 113 | I | 25.2 | Very low | 27.9 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -109.4 | 125.5 | 169.7 | -60.3 | 174.4 | 0 | 0 | 0 | 106.7 | ||||
| 114 | C | 28.9 | Very low | 28 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 50% | 0.5 | 77% | 0.768 | S | S | . | * | trans | -86.8 | 132.6 | 169 | -61.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 115 | L | 26 | Very low | 28 | Very low | 237 Ų | 237 | 141.5 Ų | 141.5 | 100% | 1.241 | 77% | 0.772 | S | S | * | * | trans | -90.7 | 0 | 164.3 | -72.2 | 172.3 | 0 | 0 | 0 | 110.3 |
Retrieved 115 of 115 residues in 116.8 ms
(Link to these results)