| 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 | 79.5 | Confident | 86.3 | Confident | 236 Ų | 236 | 111.5 Ų | 111.5 | 100% | 1.163 | 64% | 0.644 | S | S | * | * | 0 | -21.1 | 0 | -62.2 | -54.2 | -82 | 0 | 0 | 113.6 | Y3 | M1-Y3 PolarHBondContact O-N 3Š| |||
| 2 | G | 87.2 | Confident | 86.4 | Confident | 82 Ų | 82 | 111.3 Ų | 111.3 | 85% | 0.845 | 64% | 0.639 | S | S | * | * | trans | 66.3 | 22.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | Y | 87.4 | Confident | 86.2 | Confident | 120 Ų | 120 | 105.5 Ų | 105.5 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -76.6 | 126.4 | 178.2 | 175.8 | -104.5 | 0 | 0 | 0 | 110.5 | M1 Q7 L9 | M1-Y3 PolarHBondContact O-N 3Å; Y3-Q7 WeakPolarHBondContact CE2-O 3.43Å; Y3-Q7 PolarHBondContact OH-O 2.85Å; Y3-L9 HydrophobicContact CD2-CD2 3.57Å; Y3-L9 HydrophobicContact CE2-CD2 3.9Å |
| 4 | E | 85 | Confident | 86.4 | Confident | 120 Ų | 120 | 109.2 Ų | 109.2 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 130.9 | 171.5 | -64.9 | -170.4 | 167.9 | 0 | 0 | 110.3 | G6 Q7 | E4-G6 PolarHBondContact O-N 3.19Å; E4-Q7 HydrophobicContact CB-CB 4.45Å; E4-Q7 HydrophobicContact CB-CG 4.31Å; E4-Q7 PolarHBondContact O-N 3.23Å; E4-Q7 VanDerWaalsContact O-N 3.15Å; E4-Q7 PolarHBondContact OE2-NE2 3.01Å; E4-Q7 PolarHBondContact OE2-OE1 3.12Å |
| 5 | H | 86.4 | Confident | 86.6 | Confident | 186 Ų | 186 | 103.8 Ų | 103.8 | 86% | 0.861 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 128.7 | -179.8 | -177.7 | 72.8 | 0 | 0 | 0 | 110.9 | ||
| 6 | G | 86.7 | Confident | 86.7 | Confident | 45 Ų | 45 | 104.4 Ų | 104.4 | 46% | 0.464 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 90 | -3.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E4 V17 | E4-G6 PolarHBondContact O-N 3.19Å; G6-V17 WeakPolarHBondContact O-CG2 3.19Å |
| 7 | Q | 86.9 | Confident | 86.9 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 40% | 0.397 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -95.8 | 148.8 | 172.4 | -74 | -176.7 | 3.5 | 0 | 0 | 111.9 | Y3 E4 A13 | Y3-Q7 WeakPolarHBondContact CE2-O 3.43Å; Y3-Q7 PolarHBondContact OH-O 2.85Å; E4-Q7 HydrophobicContact CB-CB 4.45Å; E4-Q7 HydrophobicContact CB-CG 4.31Å; E4-Q7 PolarHBondContact O-N 3.23Å; E4-Q7 VanDerWaalsContact O-N 3.15Å; E4-Q7 PolarHBondContact OE2-NE2 3.01Å; E4-Q7 PolarHBondContact OE2-OE1 3.12Å; Q7-A13 HydrophobicContact CB-CB 4.11Å; Q7-A13 HydrophobicContact CG-CB 4.33Å |
| 8 | G | 87.8 | Confident | 87 | Confident | 7 Ų | 7 | 105.7 Ų | 105.7 | 7% | 0.072 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -68.6 | 153.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A13 G15 | G8-A13 PolarHBondContact N-O 3.05Å; G8-A13 VanDerWaalsContact O-CA 3.3Å; G8-A13 WeakPolarHBondContact O-CA 3.42Å; G8-G15 WeakPolarHBondContact CA-O 3.31Å |
| 9 | L | 87.7 | Confident | 87.1 | Confident | 131 Ų | 131 | 106.8 Ų | 106.8 | 69% | 0.686 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -71 | 151.2 | 169.7 | -63 | 176.7 | 0 | 0 | 0 | 111 | Y3 G15 | Y3-L9 HydrophobicContact CD2-CD2 3.57Å; Y3-L9 HydrophobicContact CE2-CD2 3.9Å; L9-G15 VanDerWaalsContact O-CA 3.27Å; L9-G15 WeakPolarHBondContact O-CA 3.45Å; L9-G15 PolarHBondContact O-N 2.73Å |
| 10 | G | 87.8 | Confident | 87.2 | Confident | 62 Ų | 62 | 106.9 Ų | 106.9 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 120.3 | 162.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N12 A13 | G10-N12 PolarHBondContact O-N 3.36Å; G10-N12 VanDerWaalsContact O-N 3.08Å; G10-A13 PolarHBondContact O-N 2.68Å |
| 11 | V | 86.6 | Confident | 87.3 | Confident | 152 Ų | 152 | 106.5 Ų | 106.5 | 92% | 0.921 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -30.3 | -174.2 | 179.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 12 | N | 88.4 | Confident | 87.6 | Confident | 110 Ų | 110 | 102.7 Ų | 102.7 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 16.9 | -178 | -59.1 | -16.7 | 0 | 0 | 0 | 113.1 | G10 H14 | G10-N12 PolarHBondContact O-N 3.36Å; G10-N12 VanDerWaalsContact O-N 3.08Å; N12-H14 WeakPolarHBondContact CB-CD2 3.5Å; N12-H14 VanDerWaalsContact CB-NE2 3.27Å; N12-H14 WeakPolarHBondContact CB-NE2 3.25Å; N12-H14 PolarHBondContact O-CE1 3.16Å; N12-H14 VanDerWaalsContact O-CE1 3.28Å; N12-H14 PolarHBondContact O-N 3.33Å; N12-H14 VanDerWaalsContact O-N 3.16Å; N12-H14 PolarHBondContact O-ND1 3.46Å |
| 13 | A | 83.6 | Confident | 87.3 | Confident | 35 Ų | 35 | 104.5 Ų | 104.5 | 29% | 0.289 | 61% | 0.61 | S | S | . | * | S | Bend | trans | 56.8 | 26.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q7 G8 G10 | Q7-A13 HydrophobicContact CB-CB 4.11Å; Q7-A13 HydrophobicContact CG-CB 4.33Å; G8-A13 PolarHBondContact N-O 3.05Å; G8-A13 VanDerWaalsContact O-CA 3.3Å; G8-A13 WeakPolarHBondContact O-CA 3.42Å; G10-A13 PolarHBondContact O-N 2.68Å |
| 14 | H | 88.9 | Confident | 87 | Confident | 158 Ų | 158 | 108.4 Ų | 108.4 | 73% | 0.731 | 63% | 0.629 | S | S | * | * | trans | -90 | 2.4 | -176.6 | -61.1 | -38.3 | 0 | 0 | 0 | 115.2 | N12 | N12-H14 WeakPolarHBondContact CB-CD2 3.5Å; N12-H14 VanDerWaalsContact CB-NE2 3.27Å; N12-H14 WeakPolarHBondContact CB-NE2 3.25Å; N12-H14 PolarHBondContact O-CE1 3.16Å; N12-H14 VanDerWaalsContact O-CE1 3.28Å; N12-H14 PolarHBondContact O-N 3.33Å; N12-H14 VanDerWaalsContact O-N 3.16Å; N12-H14 PolarHBondContact O-ND1 3.46Å | ||
| 15 | G | 89.3 | Confident | 86.5 | Confident | 28 Ų | 28 | 108 Ų | 108 | 29% | 0.289 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -63.2 | 154.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | G8 L9 V17 | G8-G15 WeakPolarHBondContact CA-O 3.31Å; L9-G15 VanDerWaalsContact O-CA 3.27Å; L9-G15 WeakPolarHBondContact O-CA 3.45Å; L9-G15 PolarHBondContact O-N 2.73Å; G15-V17 PolarHBondContact O-N 3.46Å |
| 16 | V | 88.3 | Confident | 85.9 | Confident | 114 Ų | 114 | 103.9 Ų | 103.9 | 69% | 0.691 | 61% | 0.607 | S | S | * | * | trans | -65.3 | 130.3 | 172 | -164.4 | 0 | 0 | 0 | 0 | 108.5 | E18 | V16-E18 WeakPolarHBondContact CG1-O 3.26Š| ||
| 17 | V | 90 | Very high | 85.3 | Confident | 79 Ų | 79 | 102.1 Ų | 102.1 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -80.6 | -30.6 | -178.4 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | G6 G15 | G6-V17 WeakPolarHBondContact O-CG2 3.19Å; G15-V17 PolarHBondContact O-N 3.46Å |
| 18 | E | 89.1 | Confident | 84.8 | Confident | 152 Ų | 152 | 108.3 Ų | 108.3 | 71% | 0.71 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -112.6 | 148.8 | -179.6 | -63.5 | -173 | 166.9 | 0 | 0 | 111.3 | V16 V20 | V16-E18 WeakPolarHBondContact CG1-O 3.26Å; E18-V20 PolarHBondContact O-N 3.17Å |
| 19 | P | 87.9 | Confident | 84.1 | Confident | 128 Ų | 128 | 110.6 Ų | 110.6 | 83% | 0.831 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 139.2 | 172.5 | -22.3 | 33.1 | 0 | 0 | 0 | 111.7 | A21 | P19-A21 PolarHBondContact O-N 2.69Š|
| 20 | V | 89.7 | Confident | 83.5 | Confident | 107 Ų | 107 | 106.6 Ų | 106.6 | 65% | 0.648 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 120.5 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 109 | E18 L22 | E18-V20 PolarHBondContact O-N 3.17Å; V20-L22 PolarHBondContact O-N 2.6Å |
| 21 | A | 88.6 | Confident | 82.9 | Confident | 99 Ų | 99 | 111.7 Ų | 111.7 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 128.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P19 | P19-A21 PolarHBondContact O-N 2.69Š|
| 22 | L | 86.7 | Confident | 82.5 | Confident | 156 Ų | 156 | 108.2 Ų | 108.2 | 82% | 0.817 | 62% | 0.62 | S | S | * | * | trans | -104.8 | 136.2 | 175.5 | -60.7 | 177.7 | 0 | 0 | 0 | 109.8 | V20 | V20-L22 PolarHBondContact O-N 2.6Š| ||
| 23 | S | 80.3 | Confident | 81.6 | Confident | 121 Ų | 121 | 106.5 Ų | 106.5 | 85% | 0.846 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 125.9 | 168 | 59.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 24 | K | 80.5 | Confident | 80.5 | Confident | 201 Ų | 201 | 110.8 Ų | 110.8 | 87% | 0.874 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 132.8 | 169 | -64.2 | -172.7 | 178.6 | -176.2 | 0 | 109.5 | ||
| 25 | Q | 75.3 | Confident | 79 | Confident | 112 Ų | 112 | 109.5 Ų | 109.5 | 52% | 0.523 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 134.2 | 164.2 | -173.8 | 177.1 | -48.1 | 0 | 0 | 107.8 | G27 S29 | Q25-G27 WeakPolarHBondContact CG-O 3.43Å; Q25-G27 PolarHBondContact NE2-O 2.85Å; Q25-S29 PolarHBondContact NE2-O 2.9Å |
| 26 | K | 73 | Confident | 77.4 | Confident | 100 Ų | 100 | 112.3 Ų | 112.3 | 44% | 0.435 | 64% | 0.644 | S | S | . | * | trans | -123.7 | 112.9 | 177.8 | 168.5 | 70.7 | -178.6 | -178.4 | 0 | 107.4 | K35 A72 D73 | K26-K35 VanDerWaalsContact CB-NZ 3.31Å; K26-K35 PolarHBondContact O-NZ 2.89Å; K26-A72 WeakPolarHBondContact CD-O 3.26Å; K26-A72 WeakPolarHBondContact CE-O 3.33Å; K26-A72 PolarHBondContact NZ-O 2.79Å; K26-D73 WeakPolarHBondContact CE-O 3.42Å; K26-D73 PolarHBondContact NZ-O 3.32Å | ||
| 27 | G | 75.4 | Confident | 75.6 | Confident | 8 Ų | 8 | 114.2 Ų | 114.2 | 8% | 0.082 | 66% | 0.656 | C | S | . | * | S | Bend | trans | 84.3 | -179.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q25 S29 D73 | Q25-G27 WeakPolarHBondContact CG-O 3.43Å; Q25-G27 PolarHBondContact NE2-O 2.85Å; G27-S29 VanDerWaalsContact C-N 3.28Å; G27-S29 PolarHBondContact O-N 3.48Å; G27-D73 WeakPolarHBondContact CA-OD1 3.49Å; G27-D73 PolarHBondContact N-OD1 3.04Å |
| 28 | R | 75.8 | Confident | 73.5 | Confident | 214 Ų | 214 | 115 Ų | 115 | 81% | 0.808 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -91.5 | 27.9 | -176.6 | -59 | 174.6 | 65.5 | 152.3 | 1.6 | 114 | ||
| 29 | S | 72.8 | Confident | 71.3 | Confident | 55 Ų | 55 | 110.9 Ų | 110.9 | 39% | 0.385 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 138.1 | 179.5 | -62.2 | 0 | 0 | 0 | 0 | 111 | Q25 G27 | Q25-S29 PolarHBondContact NE2-O 2.9Å; G27-S29 VanDerWaalsContact C-N 3.28Å; G27-S29 PolarHBondContact O-N 3.48Å |
| 30 | G | 76.2 | Confident | 69.2 | Low | 48 Ų | 48 | 109.1 Ų | 109.1 | 50% | 0.495 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 148.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G32 S33 | G30-G32 PolarHBondContact O-N 3.01Å; G30-S33 WeakPolarHBondContact O-CB 3.4Å; G30-S33 PolarHBondContact O-N 3.28Å; G30-S33 PolarHBondContact O-OG 2.86Å |
| 31 | L | 75.5 | Confident | 67 | Low | 169 Ų | 169 | 111.2 Ų | 111.2 | 89% | 0.885 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | 130.7 | 175 | -65.4 | 171.8 | 0 | 0 | 0 | 110.3 | ||
| 32 | G | 78.2 | Confident | 64.9 | Low | 78 Ų | 78 | 114 Ų | 114 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.5 | -3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G30 V34 | G30-G32 PolarHBondContact O-N 3.01Å; G32-V34 PolarHBondContact O-N 2.95Å |
| 33 | S | 68.8 | Low | 62.8 | Low | 75 Ų | 75 | 114.3 Ų | 114.3 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | trans | -68.8 | 96.8 | 170.5 | -59.7 | 0 | 0 | 0 | 0 | 109.7 | G30 K35 | G30-S33 WeakPolarHBondContact O-CB 3.4Å; G30-S33 PolarHBondContact O-N 3.28Å; G30-S33 PolarHBondContact O-OG 2.86Å; S33-K35 PolarHBondContact O-N 3.31Å | ||
| 34 | V | 60.1 | Low | 61.2 | Low | 125 Ų | 125 | 112.9 Ų | 112.9 | 76% | 0.758 | 62% | 0.621 | S | S | * | * | trans | -67 | 114.5 | 174.3 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | G32 T36 | G32-V34 PolarHBondContact O-N 2.95Å; V34-T36 VanDerWaalsContact C-N 3.29Å; V34-T36 PolarHBondContact O-N 2.97Å | ||
| 35 | K | 57.8 | Low | 59.4 | Low | 130 Ų | 130 | 111.1 Ų | 111.1 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | trans | -63.1 | 97.6 | 165.9 | -69.7 | -171.2 | -179.8 | -166.2 | 0 | 106.6 | K26 S33 T37 | K26-K35 VanDerWaalsContact CB-NZ 3.31Å; K26-K35 PolarHBondContact O-NZ 2.89Å; S33-K35 PolarHBondContact O-N 3.31Å; K35-T37 PolarHBondContact O-N 2.95Å; K35-T37 VanDerWaalsContact O-N 3.15Å | ||
| 36 | T | 54.6 | Low | 57.8 | Low | 88 Ų | 88 | 109.8 Ų | 109.8 | 54% | 0.54 | 62% | 0.619 | S | S | . | * | trans | -58.9 | 122.1 | 165.5 | 47.6 | 0 | 0 | 0 | 0 | 105.9 | V34 S38 S39 | V34-T36 VanDerWaalsContact C-N 3.29Å; V34-T36 PolarHBondContact O-N 2.97Å; T36-S38 PolarHBondContact O-N 3.01Å; T36-S39 PolarHBondContact O-N 2.69Å; T36-S39 VanDerWaalsContact O-N 3.09Å | ||
| 37 | T | 51.5 | Low | 56.5 | Low | 154 Ų | 154 | 113.4 Ų | 113.4 | 95% | 0.945 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 20.5 | -179.3 | 41.1 | 0 | 0 | 0 | 0 | 113.3 | K35 | K35-T37 PolarHBondContact O-N 2.95Å; K35-T37 VanDerWaalsContact O-N 3.15Å |
| 38 | S | 45.2 | Very low | 55.3 | Low | 95 Ų | 95 | 118.9 Ų | 118.9 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 5.3 | 169.1 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | T36 | T36-S38 PolarHBondContact O-N 3.01Š|
| 39 | S | 42.8 | Very low | 54.1 | Low | 65 Ų | 65 | 110.8 Ų | 110.8 | 46% | 0.455 | 66% | 0.655 | S | S | . | * | trans | -105.4 | 45.5 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 112.5 | T36 | T36-S39 PolarHBondContact O-N 2.69Å; T36-S39 VanDerWaalsContact O-N 3.09Å | ||
| 40 | S | 44.7 | Very low | 53.3 | Low | 92 Ų | 92 | 117.4 Ų | 117.4 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -68 | 123.6 | 144.7 | 50.9 | 0 | 0 | 0 | 0 | 106.3 | ||
| 41 | D | 44.1 | Very low | 52.7 | Low | 151 Ų | 151 | 120.4 Ų | 120.4 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | trans | 62 | 48.9 | 171.2 | -46.3 | -34.3 | 0 | 0 | 0 | 115.7 | K43 | D41-K43 PolarHBondContact O-N 2.6Š| ||
| 42 | K | 42.8 | Very low | 52.2 | Low | 157 Ų | 157 | 120.3 Ų | 120.3 | 68% | 0.683 | 67% | 0.673 | S | S | * | * | trans | -74 | 75 | 140.5 | -69.7 | -158.6 | 179.1 | -165.9 | 0 | 107.3 | I44 | K42-I44 PolarHBondContact O-N 3.33Š| ||
| 43 | K | 43.5 | Very low | 51.5 | Low | 163 Ų | 163 | 124.7 Ų | 124.7 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | trans | -34.4 | 116.6 | 143.9 | 177.5 | -176.9 | -176.2 | -176.2 | 0 | 104.1 | D41 E45 | D41-K43 PolarHBondContact O-N 2.6Å; K43-E45 VanDerWaalsContact C-N 3.3Å; K43-E45 WeakPolarHBondContact O-CA 3.36Å; K43-E45 PolarHBondContact O-N 2.88Å | ||
| 44 | I | 47.2 | Very low | 51.5 | Low | 90 Ų | 90 | 122.2 Ų | 122.2 | 46% | 0.462 | 66% | 0.655 | S | S | . | * | trans | -38.7 | 108.2 | 173.2 | -68.1 | 168.8 | 0 | 0 | 0 | 104.3 | K42 S46 F47 | K42-I44 PolarHBondContact O-N 3.33Å; I44-S46 VanDerWaalsContact C-N 3.31Å; I44-S46 WeakPolarHBondContact O-CA 3.48Å; I44-S46 PolarHBondContact O-N 2.96Å; I44-F47 HydrophobicContact CG2-CD2 4.01Å; I44-F47 HydrophobicContact CG2-CE2 4.41Å | ||
| 45 | E | 42 | Very low | 52.3 | Low | 165 Ų | 165 | 122.1 Ų | 122.1 | 77% | 0.771 | 66% | 0.66 | S | S | * | * | trans | -53.4 | 111.1 | -176.1 | -104.8 | 175 | 172.3 | 0 | 0 | 103 | K43 F47 | K43-E45 VanDerWaalsContact C-N 3.3Å; K43-E45 WeakPolarHBondContact O-CA 3.36Å; K43-E45 PolarHBondContact O-N 2.88Å; E45-F47 PolarHBondContact O-N 3.37Å | ||
| 46 | S | 42.4 | Very low | 53 | Low | 83 Ų | 83 | 118.8 Ų | 118.8 | 58% | 0.58 | 65% | 0.649 | S | S | * | * | trans | -36.3 | 114.6 | -165.4 | -38.6 | 0 | 0 | 0 | 0 | 106.8 | I44 S48 | I44-S46 VanDerWaalsContact C-N 3.31Å; I44-S46 WeakPolarHBondContact O-CA 3.48Å; I44-S46 PolarHBondContact O-N 2.96Å; S46-S48 PolarHBondContact O-N 3.33Å | ||
| 47 | F | 45.1 | Very low | 53.9 | Low | 177 Ų | 177 | 125.5 Ų | 125.5 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | trans | -51.7 | 99.9 | 170.3 | -103.8 | -97.2 | 0 | 0 | 0 | 104.3 | I44 E45 G49 | I44-F47 HydrophobicContact CG2-CD2 4.01Å; I44-F47 HydrophobicContact CG2-CE2 4.41Å; E45-F47 PolarHBondContact O-N 3.37Å; F47-G49 PolarHBondContact O-N 2.99Å | ||
| 48 | S | 50.5 | Low | 55.1 | Low | 123 Ų | 123 | 122.3 Ų | 122.3 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | trans | -81.6 | 0.5 | 177.4 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | S46 | S46-S48 PolarHBondContact O-N 3.33Š| ||
| 49 | G | 51.1 | Low | 56.4 | Low | 44 Ų | 44 | 120.3 Ų | 120.3 | 45% | 0.454 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -70.6 | 124.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | F47 L51 | F47-G49 PolarHBondContact O-N 2.99Å; G49-L51 PolarHBondContact O-N 3.25Å |
| 50 | E | 55.8 | Low | 57.9 | Low | 194 Ų | 194 | 119.2 Ų | 119.2 | 91% | 0.907 | 61% | 0.614 | S | S | * | * | trans | -36.5 | 109.9 | 170 | -65.4 | 173.2 | 160.1 | 0 | 0 | 109 | Y52 | E50-Y52 PolarHBondContact O-N 3.31Š| ||
| 51 | L | 63.8 | Low | 59.3 | Low | 110 Ų | 110 | 119.2 Ų | 119.2 | 58% | 0.576 | 60% | 0.6 | S | S | * | * | trans | -47.9 | 121.3 | 168.4 | -102.1 | 151.9 | 0 | 0 | 0 | 106.1 | G49 Q53 W61 | G49-L51 PolarHBondContact O-N 3.25Å; L51-Q53 PolarHBondContact O-N 2.65Å; L51-W61 VanDerWaalsContact CD2-CD1 3.41Å; L51-W61 HydrophobicContact CD2-CG 4.32Å | ||
| 52 | Y | 63.3 | Low | 60.6 | Low | 168 Ų | 168 | 115.2 Ų | 115.2 | 66% | 0.659 | 58% | 0.576 | S | S | * | * | trans | -53.5 | 110.9 | 179.8 | 175.5 | -92.2 | 0 | 0 | 0 | 107.7 | E50 W80 | E50-Y52 PolarHBondContact O-N 3.31Å; Y52-W80 AromaticContact CD1-CH2 3.92Å; Y52-W80 HydrophobicContact CD1-CH2 3.92Å; Y52-W80 AromaticContact CD1-CZ2 3.91Å; Y52-W80 HydrophobicContact CD1-CZ2 3.91Å; Y52-W80 HydrophobicContact CE1-CH2 4.48Å; Y52-W80 HydrophobicContact CE1-CZ2 4.45Å; Y52-W80 WeakPolarHBondContact O-CH2 3.43Å | ||
| 53 | Q | 65.1 | Low | 62.1 | Low | 170 Ų | 170 | 112.5 Ų | 112.5 | 79% | 0.794 | 57% | 0.566 | S | S | * | * | trans | -91 | 117.8 | 176.4 | -161.1 | 169.8 | 8.6 | 0 | 0 | 106.3 | L51 S55 | L51-Q53 PolarHBondContact O-N 2.65Å; Q53-S55 PolarHBondContact O-N 3.44Å | ||
| 54 | S | 68.1 | Low | 63.1 | Low | 22 Ų | 22 | 105.6 Ų | 105.6 | 15% | 0.154 | 54% | 0.54 | C | S | . | . | trans | -53.8 | 142.5 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | N56 | S54-N56 PolarHBondContact O-N 3.05Å; S54-N56 PolarHBondContact OG-N 2.93Å | ||
| 55 | S | 76.4 | Confident | 63.4 | Low | 123 Ų | 123 | 105.5 Ų | 105.5 | 86% | 0.86 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -60.5 | -22.4 | 170.2 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | Q53 | Q53-S55 PolarHBondContact O-N 3.44Š|
| 56 | N | 72.1 | Confident | 64.1 | Low | 61 Ų | 61 | 100.6 Ų | 100.6 | 33% | 0.326 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -84 | 111.2 | 170.6 | -171.8 | -17.3 | 0 | 0 | 0 | 110.1 | S54 N58 L59 M82 | S54-N56 PolarHBondContact O-N 3.05Å; S54-N56 PolarHBondContact OG-N 2.93Å; N56-N58 PolarHBondContact O-N 2.92Å; N56-N58 VanDerWaalsContact O-N 3.12Å; N56-N58 WeakPolarHBondContact OD1-CB 3.38Å; N56-N58 PolarHBondContact OD1-N 3.3Å; N56-L59 HydrophobicContact CB-CB 4.34Å; N56-L59 HydrophobicContact CB-CD1 4.01Å; N56-L59 PolarHBondContact O-N 2.98Å; N56-M82 WeakPolarHBondContact ND2-CE 3.19Å |
| 57 | R | 74.7 | Confident | 64.7 | Low | 228 Ų | 228 | 102.9 Ų | 102.9 | 86% | 0.86 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21 | 179.2 | -69.9 | -173.3 | -178.9 | -177.6 | 0.5 | 114.1 | ||
| 58 | N | 75.7 | Confident | 65.2 | Low | 88 Ų | 88 | 98.8 Ų | 98.8 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -18.1 | 179 | -55.9 | -15.5 | 0 | 0 | 0 | 111.4 | N56 M82 E83 | N56-N58 PolarHBondContact O-N 2.92Å; N56-N58 VanDerWaalsContact O-N 3.12Å; N56-N58 WeakPolarHBondContact OD1-CB 3.38Å; N56-N58 PolarHBondContact OD1-N 3.3Å; N58-M82 HydrophobicContact CB-CE 4.33Å; N58-M82 HydrophobicContact CB-CG 3.65Å; N58-M82 HydrophobicContact CB-SD 4.26Å; N58-M82 CarbonylContact O-C 3.46Å; N58-M82 WeakPolarHBondContact O-CA 3.39Å; N58-E83 PolarHBondContact O-N 2.93Å |
| 59 | L | 73.7 | Confident | 65.4 | Low | 52 Ų | 52 | 104 Ų | 104 | 27% | 0.272 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 115.3 | 176.5 | -107.6 | 114.7 | 0 | 0 | 0 | 110 | N56 W80 M82 | N56-L59 HydrophobicContact CB-CB 4.34Å; N56-L59 HydrophobicContact CB-CD1 4.01Å; N56-L59 PolarHBondContact O-N 2.98Å; L59-W80 HydrophobicContact CB-CE3 4.15Å; L59-W80 HydrophobicContact CB-CZ3 4.32Å; L59-W80 HydrophobicContact CD2-CB 3.95Å; L59-W80 HydrophobicContact CD2-CD2 3.72Å; L59-W80 HydrophobicContact CD2-CE3 3.53Å; L59-W80 HydrophobicContact CD2-CG 3.92Å; L59-W80 HydrophobicContact CD2-CZ3 4.26Å; L59-W80 HydrophobicContact CG-CE3 4.36Å; L59-M82 HydrophobicContact CD1-CE 3.7Å |
| 60 | V | 73.4 | Confident | 65.6 | Low | 43 Ų | 43 | 106.7 Ų | 106.7 | 26% | 0.261 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.1 | -179.2 | -176.2 | 0 | 0 | 0 | 0 | 109 | H62 S81 E83 | V60-H62 VanDerWaalsContact CB-NE2 3.26Å; V60-H62 WeakPolarHBondContact CB-NE2 3.49Å; V60-H62 WeakPolarHBondContact CG1-CE1 3.45Å; V60-H62 VanDerWaalsContact CG1-NE2 3.31Å; V60-H62 WeakPolarHBondContact CG1-NE2 3.39Å; V60-H62 PolarHBondContact O-CD2 2.9Å; V60-H62 VanDerWaalsContact O-CD2 3.28Å; V60-S81 PolarHBondContact N-O 3.46Å; V60-S81 PolarHBondContact O-N 2.77Å; V60-E83 HydrophobicContact CG2-CB 4.14Å |
| 61 | W | 75.5 | Confident | 65.5 | Low | 92 Ų | 92 | 100.4 Ų | 100.4 | 35% | 0.348 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 107.9 | 175.1 | -170.9 | -114.3 | 0 | 0 | 0 | 108.3 | L51 W78 W80 | L51-W61 VanDerWaalsContact CD2-CD1 3.41Å; L51-W61 HydrophobicContact CD2-CG 4.32Å; W61-W78 AromaticContact CD1-CE3 3.26Å; W61-W78 AromaticContact CD1-CZ3 3.75Å; W61-W78 HydrophobicContact CD2-CB 4.29Å; W61-W78 VanDerWaalsContact CE2-CB 3.45Å; W61-W78 HydrophobicContact CG-CE3 4.19Å; W61-W78 HydrophobicContact CH2-CB 3.81Å; W61-W78 HydrophobicContact CZ2-CB 3.22Å; W61-W78 HydrophobicContact CZ2-CG 4.12Å; W61-W78 HydrophobicContact CZ3-CB 4.5Å; W61-W78 AromaticContact NE1-CD2 3.58Å; W61-W78 AromaticContact NE1-CE3 3.17Å; W61-W78 AromaticContact NE1-CG 3.83Å; W61-W78 AromaticContact NE1-CZ3 3.99Å; W61-W80 HydrophobicContact CB-CE3 4.04Å; W61-W80 HydrophobicContact CB-CH2 3.93Å; W61-W80 HydrophobicContact CB-CZ2 4.39Å; W61-W80 HydrophobicContact CB-CZ3 3.74Å; W61-W80 HydrophobicContact CD2-CD2 4.33Å; W61-W80 HydrophobicContact CD2-CZ2 4.23Å; W61-W80 HydrophobicContact CE3-CB 4.32Å; W61-W80 AromaticContact CE3-CD1 3.51Å; W61-W80 AromaticContact CE3-CD2 3.36Å; W61-W80 HydrophobicContact CE3-CD2 3.36Å; W61-W80 AromaticContact CE3-CE2 3.28Å; W61-W80 HydrophobicContact CE3-CE3 4.02Å; W61-W80 AromaticContact CE3-CG 3.5Å; W61-W80 HydrophobicContact CE3-CG 3.5Å; W61-W80 HydrophobicContact CE3-CH2 4.49Å; W61-W80 AromaticContact CE3-CZ2 3.88Å; W61-W80 HydrophobicContact CE3-CZ2 3.88Å; W61-W80 AromaticContact CE3-NE1 3.34Å; W61-W80 VanDerWaalsContact CE3-NE1 3.34Å; W61-W80 HydrophobicContact CZ3-CB 4.44Å; W61-W80 AromaticContact CZ3-CD1 3.2Å; W61-W80 AromaticContact CZ3-CD2 3.95Å; W61-W80 HydrophobicContact CZ3-CD2 3.95Å; W61-W80 AromaticContact CZ3-CE2 3.7Å; W61-W80 AromaticContact CZ3-CG 3.64Å; W61-W80 HydrophobicContact CZ3-CG 3.64Å; W61-W80 AromaticContact CZ3-NE1 3.19Å |
| 62 | H | 70.8 | Confident | 65.2 | Low | 66 Ų | 66 | 98.6 Ų | 98.6 | 31% | 0.306 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.6 | -178.8 | -61.2 | -84.3 | 0 | 0 | 0 | 110.9 | V60 G64 W78 S79 S81 | V60-H62 VanDerWaalsContact CB-NE2 3.26Å; V60-H62 WeakPolarHBondContact CB-NE2 3.49Å; V60-H62 WeakPolarHBondContact CG1-CE1 3.45Å; V60-H62 VanDerWaalsContact CG1-NE2 3.31Å; V60-H62 WeakPolarHBondContact CG1-NE2 3.39Å; V60-H62 PolarHBondContact O-CD2 2.9Å; V60-H62 VanDerWaalsContact O-CD2 3.28Å; H62-G64 PolarHBondContact O-N 2.73Å; H62-W78 WeakPolarHBondContact O-CA 3.18Å; H62-S79 PolarHBondContact N-O 3.02Å; H62-S79 PolarHBondContact O-N 2.72Å; H62-S81 PolarHBondContact CD2-OG 3.1Å; H62-S81 PolarHBondContact NE2-OG 3.43Å |
| 63 | E | 73.9 | Confident | 65.1 | Low | 101 Ų | 101 | 93.1 Ų | 93.1 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 107.7 | 162.9 | -170.1 | 170.7 | -147.5 | 0 | 0 | 107.6 | Y76 T77 W78 | E63-Y76 HydrophobicContact CG-CD1 3.98Å; E63-Y76 HydrophobicContact CG-CG 4.45Å; E63-Y76 WeakPolarHBondContact OE1-CD1 3.44Å; E63-T77 CarbonylContact C-O 3.32Å; E63-W78 HydrophobicContact CB-CD2 4.28Å; E63-W78 HydrophobicContact CB-CE3 4Å; E63-W78 HydrophobicContact CB-CH2 3.84Å; E63-W78 HydrophobicContact CB-CZ2 4.08Å; E63-W78 HydrophobicContact CB-CZ3 3.8Å; E63-W78 HydrophobicContact CG-CD2 4.49Å; E63-W78 HydrophobicContact CG-CH2 4.22Å; E63-W78 HydrophobicContact CG-CZ2 3.97Å |
| 64 | G | 64.9 | Low | 64.7 | Low | 17 Ų | 17 | 87.3 Ų | 87.3 | 18% | 0.175 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 123.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | H62 T77 | H62-G64 PolarHBondContact O-N 2.73Å; G64-T77 CarbonylContact C-O 3.5Å; G64-T77 WeakPolarHBondContact CA-O 3.28Å; G64-T77 PolarHBondContact N-O 3.41Å; G64-T77 PolarHBondContact O-N 2.86Å; G64-T77 PolarHBondContact O-OG1 2.94Å; G64-T77 VanDerWaalsContact O-OG1 3.1Å |
| 65 | C | 53.9 | Low | 64.6 | Low | 88 Ų | 88 | 89.5 Ų | 89.5 | 60% | 0.595 | 48% | 0.482 | S | S | * | . | trans | -76.5 | 125.4 | 156.1 | -167.2 | 0 | 0 | 0 | 0 | 106 | D67 | C65-D67 WeakPolarHBondContact CB-OD1 3.41Å; C65-D67 PolarHBondContact O-N 3.03Å; C65-D67 VanDerWaalsContact O-OD1 3.13Å | ||
| 66 | D | 55.7 | Low | 64.2 | Low | 63 Ų | 63 | 90.5 Ų | 90.5 | 34% | 0.337 | 47% | 0.468 | S | S | . | . | trans | -69.3 | 92.8 | 164.2 | -165.7 | 5.9 | 0 | 0 | 0 | 105.7 | D68 T71 | D66-D68 PolarHBondContact O-N 3.32Å; D66-D68 VanDerWaalsContact O-N 3.16Å; D66-D68 WeakPolarHBondContact OD1-CB 3.18Å; D66-D68 PolarHBondContact OD1-N 2.63Å; D66-T71 VanDerWaalsContact CG-OG1 3.31Å; D66-T71 WeakPolarHBondContact OD2-CB 3.4Å; D66-T71 WeakPolarHBondContact OD2-CG2 3.17Å; D66-T71 PolarHBondContact OD2-OG1 3.29Å | ||
| 67 | D | 55.6 | Low | 64 | Low | 130 Ų | 130 | 90.9 Ų | 90.9 | 70% | 0.695 | 47% | 0.472 | S | S | * | . | trans | -65 | -10.9 | 178.2 | -63.7 | -4.4 | 0 | 0 | 0 | 110.9 | C65 Y69 | C65-D67 WeakPolarHBondContact CB-OD1 3.41Å; C65-D67 PolarHBondContact O-N 3.03Å; C65-D67 VanDerWaalsContact O-OD1 3.13Å; D67-Y69 PolarHBondContact O-N 3.02Å; D67-Y69 VanDerWaalsContact O-N 3.1Å | ||
| 68 | D | 55.7 | Low | 64 | Low | 92 Ų | 92 | 84.9 Ų | 84.9 | 49% | 0.492 | 45% | 0.45 | S | S | . | . | trans | -74.3 | 101.8 | 171.9 | -149.2 | 16.4 | 0 | 0 | 0 | 108.7 | D66 T70 T71 | D66-D68 PolarHBondContact O-N 3.32Å; D66-D68 VanDerWaalsContact O-N 3.16Å; D66-D68 WeakPolarHBondContact OD1-CB 3.18Å; D66-D68 PolarHBondContact OD1-N 2.63Å; D68-T70 PolarHBondContact O-N 3.16Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.47Å; D68-T70 PolarHBondContact OD2-OG1 3.46Å; D68-T71 PolarHBondContact O-N 3.1Å; D68-T71 PolarHBondContact O-OG1 3.36Å | ||
| 69 | Y | 53.9 | Low | 63.8 | Low | 233 Ų | 233 | 83.5 Ų | 83.5 | 91% | 0.914 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 5.1 | 172.1 | -65.7 | -82.9 | 0 | 0 | 0 | 114.1 | D67 | D67-Y69 PolarHBondContact O-N 3.02Å; D67-Y69 VanDerWaalsContact O-N 3.1Å |
| 70 | T | 55.5 | Low | 63.9 | Low | 99 Ų | 99 | 86.1 Ų | 86.1 | 61% | 0.607 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -26.2 | 179.3 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | D68 A72 | D68-T70 PolarHBondContact O-N 3.16Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.47Å; D68-T70 PolarHBondContact OD2-OG1 3.46Å; T70-A72 PolarHBondContact O-N 3.23Å |
| 71 | T | 54.6 | Low | 63.7 | Low | 62 Ų | 62 | 86.2 Ų | 86.2 | 38% | 0.38 | 46% | 0.456 | S | S | . | . | trans | -77.5 | 98.6 | 174 | 33.1 | 0 | 0 | 0 | 0 | 110 | D66 D68 D73 G74 | D66-T71 VanDerWaalsContact CG-OG1 3.31Å; D66-T71 WeakPolarHBondContact OD2-CB 3.4Å; D66-T71 WeakPolarHBondContact OD2-CG2 3.17Å; D66-T71 PolarHBondContact OD2-OG1 3.29Å; D68-T71 PolarHBondContact O-N 3.1Å; D68-T71 PolarHBondContact O-OG1 3.36Å; T71-D73 PolarHBondContact O-N 3.09Å; T71-G74 PolarHBondContact O-N 2.72Å | ||
| 72 | A | 55.9 | Low | 63.4 | Low | 72 Ų | 72 | 85.2 Ų | 85.2 | 60% | 0.595 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -15.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K26 T70 | K26-A72 WeakPolarHBondContact CD-O 3.26Å; K26-A72 WeakPolarHBondContact CE-O 3.33Å; K26-A72 PolarHBondContact NZ-O 2.79Å; T70-A72 PolarHBondContact O-N 3.23Å |
| 73 | D | 61.7 | Low | 63 | Low | 53 Ų | 53 | 88.8 Ų | 88.8 | 28% | 0.283 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -21.2 | -171.5 | -70.3 | -25 | 0 | 0 | 0 | 114.1 | K26 G27 T71 D75 | K26-D73 WeakPolarHBondContact CE-O 3.42Å; K26-D73 PolarHBondContact NZ-O 3.32Å; G27-D73 WeakPolarHBondContact CA-OD1 3.49Å; G27-D73 PolarHBondContact N-OD1 3.04Å; T71-D73 PolarHBondContact O-N 3.09Å; D73-D75 PolarHBondContact O-N 3.28Å |
| 74 | G | 58 | Low | 62.2 | Low | 49 Ų | 49 | 86.6 Ų | 86.6 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | trans | 57 | 32.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T71 | T71-G74 PolarHBondContact O-N 2.72Š| ||
| 75 | D | 65.8 | Low | 61.5 | Low | 67 Ų | 67 | 94.8 Ų | 94.8 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 127.4 | -178.7 | -73 | -11.9 | 0 | 0 | 0 | 108.2 | D73 T77 | D73-D75 PolarHBondContact O-N 3.28Å; D75-T77 PolarHBondContact O-N 3.25Å |
| 76 | Y | 66.9 | Low | 61.2 | Low | 145 Ų | 145 | 95.5 Ų | 95.5 | 57% | 0.569 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 121.3 | 169 | -63.9 | -79.4 | 0 | 0 | 0 | 108.3 | E63 | E63-Y76 HydrophobicContact CG-CD1 3.98Å; E63-Y76 HydrophobicContact CG-CG 4.45Å; E63-Y76 WeakPolarHBondContact OE1-CD1 3.44Å |
| 77 | T | 68.6 | Low | 61 | Low | 69 Ų | 69 | 95.1 Ų | 95.1 | 42% | 0.423 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 147.2 | 171.2 | 54.7 | 0 | 0 | 0 | 0 | 108.2 | E63 G64 D75 | E63-T77 CarbonylContact C-O 3.32Å; G64-T77 CarbonylContact C-O 3.5Å; G64-T77 WeakPolarHBondContact CA-O 3.28Å; G64-T77 PolarHBondContact N-O 3.41Å; G64-T77 PolarHBondContact O-N 2.86Å; G64-T77 PolarHBondContact O-OG1 2.94Å; G64-T77 VanDerWaalsContact O-OG1 3.1Å; D75-T77 PolarHBondContact O-N 3.25Å |
| 78 | W | 73.5 | Confident | 60.5 | Low | 102 Ų | 102 | 94.6 Ų | 94.6 | 39% | 0.386 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.7 | 173.8 | -66.3 | 78.7 | 0 | 0 | 0 | 107.9 | W61 H62 E63 | W61-W78 AromaticContact CD1-CE3 3.26Å; W61-W78 AromaticContact CD1-CZ3 3.75Å; W61-W78 HydrophobicContact CD2-CB 4.29Å; W61-W78 VanDerWaalsContact CE2-CB 3.45Å; W61-W78 HydrophobicContact CG-CE3 4.19Å; W61-W78 HydrophobicContact CH2-CB 3.81Å; W61-W78 HydrophobicContact CZ2-CB 3.22Å; W61-W78 HydrophobicContact CZ2-CG 4.12Å; W61-W78 HydrophobicContact CZ3-CB 4.5Å; W61-W78 AromaticContact NE1-CD2 3.58Å; W61-W78 AromaticContact NE1-CE3 3.17Å; W61-W78 AromaticContact NE1-CG 3.83Å; W61-W78 AromaticContact NE1-CZ3 3.99Å; H62-W78 WeakPolarHBondContact O-CA 3.18Å; E63-W78 HydrophobicContact CB-CD2 4.28Å; E63-W78 HydrophobicContact CB-CE3 4Å; E63-W78 HydrophobicContact CB-CH2 3.84Å; E63-W78 HydrophobicContact CB-CZ2 4.08Å; E63-W78 HydrophobicContact CB-CZ3 3.8Å; E63-W78 HydrophobicContact CG-CD2 4.49Å; E63-W78 HydrophobicContact CG-CH2 4.22Å; E63-W78 HydrophobicContact CG-CZ2 3.97Å |
| 79 | S | 71.7 | Confident | 60.2 | Low | 59 Ų | 59 | 94.4 Ų | 94.4 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144.1 | -177.6 | 61.1 | 0 | 0 | 0 | 0 | 110.6 | H62 | H62-S79 PolarHBondContact N-O 3.02Å; H62-S79 PolarHBondContact O-N 2.72Å |
| 80 | W | 76.8 | Confident | 60.1 | Low | 107 Ų | 107 | 85.6 Ų | 85.6 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 122.5 | 165.6 | -74.4 | 110.5 | 0 | 0 | 0 | 107.7 | Y52 L59 W61 | Y52-W80 AromaticContact CD1-CH2 3.92Å; Y52-W80 HydrophobicContact CD1-CH2 3.92Å; Y52-W80 AromaticContact CD1-CZ2 3.91Å; Y52-W80 HydrophobicContact CD1-CZ2 3.91Å; Y52-W80 HydrophobicContact CE1-CH2 4.48Å; Y52-W80 HydrophobicContact CE1-CZ2 4.45Å; Y52-W80 WeakPolarHBondContact O-CH2 3.43Å; L59-W80 HydrophobicContact CB-CE3 4.15Å; L59-W80 HydrophobicContact CB-CZ3 4.32Å; L59-W80 HydrophobicContact CD2-CB 3.95Å; L59-W80 HydrophobicContact CD2-CD2 3.72Å; L59-W80 HydrophobicContact CD2-CE3 3.53Å; L59-W80 HydrophobicContact CD2-CG 3.92Å; L59-W80 HydrophobicContact CD2-CZ3 4.26Å; L59-W80 HydrophobicContact CG-CE3 4.36Å; W61-W80 HydrophobicContact CB-CE3 4.04Å; W61-W80 HydrophobicContact CB-CH2 3.93Å; W61-W80 HydrophobicContact CB-CZ2 4.39Å; W61-W80 HydrophobicContact CB-CZ3 3.74Å; W61-W80 HydrophobicContact CD2-CD2 4.33Å; W61-W80 HydrophobicContact CD2-CZ2 4.23Å; W61-W80 HydrophobicContact CE3-CB 4.32Å; W61-W80 AromaticContact CE3-CD1 3.51Å; W61-W80 AromaticContact CE3-CD2 3.36Å; W61-W80 HydrophobicContact CE3-CD2 3.36Å; W61-W80 AromaticContact CE3-CE2 3.28Å; W61-W80 HydrophobicContact CE3-CE3 4.02Å; W61-W80 AromaticContact CE3-CG 3.5Å; W61-W80 HydrophobicContact CE3-CG 3.5Å; W61-W80 HydrophobicContact CE3-CH2 4.49Å; W61-W80 AromaticContact CE3-CZ2 3.88Å; W61-W80 HydrophobicContact CE3-CZ2 3.88Å; W61-W80 AromaticContact CE3-NE1 3.34Å; W61-W80 VanDerWaalsContact CE3-NE1 3.34Å; W61-W80 HydrophobicContact CZ3-CB 4.44Å; W61-W80 AromaticContact CZ3-CD1 3.2Å; W61-W80 AromaticContact CZ3-CD2 3.95Å; W61-W80 HydrophobicContact CZ3-CD2 3.95Å; W61-W80 AromaticContact CZ3-CE2 3.7Å; W61-W80 AromaticContact CZ3-CG 3.64Å; W61-W80 HydrophobicContact CZ3-CG 3.64Å; W61-W80 AromaticContact CZ3-NE1 3.19Å |
| 81 | S | 69.7 | Low | 60.1 | Low | 45 Ų | 45 | 87.3 Ų | 87.3 | 32% | 0.315 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.9 | 166.8 | 106.4 | 0 | 0 | 0 | 0 | 109.1 | V60 H62 | V60-S81 PolarHBondContact N-O 3.46Å; V60-S81 PolarHBondContact O-N 2.77Å; H62-S81 PolarHBondContact CD2-OG 3.1Å; H62-S81 PolarHBondContact NE2-OG 3.43Å |
| 82 | M | 68 | Low | 60.3 | Low | 71 Ų | 71 | 88.2 Ų | 88.2 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.1 | 169.8 | -164.5 | 169.8 | -93.9 | 0 | 0 | 107.3 | N56 N58 L59 G84 P87 | N56-M82 WeakPolarHBondContact ND2-CE 3.19Å; N58-M82 HydrophobicContact CB-CE 4.33Å; N58-M82 HydrophobicContact CB-CG 3.65Å; N58-M82 HydrophobicContact CB-SD 4.26Å; N58-M82 CarbonylContact O-C 3.46Å; N58-M82 WeakPolarHBondContact O-CA 3.39Å; L59-M82 HydrophobicContact CD1-CE 3.7Å; M82-G84 PolarHBondContact O-N 3.34Å; M82-G84 VanDerWaalsContact O-O 3.07Å; M82-P87 HydrophobicContact SD-CG 4.4Å |
| 83 | E | 62.9 | Low | 60.6 | Low | 141 Ų | 141 | 89.5 Ų | 89.5 | 66% | 0.659 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -76.6 | 114.7 | 177 | -164.6 | 174.7 | -155.2 | 0 | 0 | 108.6 | N58 V60 | N58-E83 PolarHBondContact O-N 2.93Å; V60-E83 HydrophobicContact CG2-CB 4.14Å |
| 84 | G | 57.1 | Low | 60.6 | Low | 54 Ų | 54 | 90.1 Ų | 90.1 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 123 | 154.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | M82 C86 | M82-G84 PolarHBondContact O-N 3.34Å; M82-G84 VanDerWaalsContact O-O 3.07Å; G84-C86 PolarHBondContact O-N 2.92Å |
| 85 | E | 49.6 | Very low | 60.8 | Low | 190 Ų | 190 | 93 Ų | 93 | 89% | 0.888 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -34 | 119.7 | -178.5 | -72.1 | 174.2 | 159.1 | 0 | 0 | 110.1 | ||
| 86 | C | 47.6 | Very low | 60.9 | Low | 102 Ų | 102 | 94.6 Ų | 94.6 | 69% | 0.689 | 52% | 0.52 | S | S | * | . | trans | -36.3 | 120.1 | 168.4 | -173.9 | 0 | 0 | 0 | 0 | 104.8 | G84 T88 | G84-C86 PolarHBondContact O-N 2.92Å; C86-T88 PolarHBondContact O-N 2.86Å | ||
| 87 | P | 51.3 | Low | 60.9 | Low | 55 Ų | 55 | 94.3 Ų | 94.3 | 36% | 0.357 | 53% | 0.527 | S | S | . | . | trans | -64.1 | 98.1 | 171.1 | 27.6 | -29.3 | 0 | 0 | 0 | 101.6 | M82 N89 | M82-P87 HydrophobicContact SD-CG 4.4Å; P87-N89 WeakPolarHBondContact CB-OD1 3.3Å; P87-N89 PolarHBondContact O-N 3.05Å | ||
| 88 | T | 46.5 | Very low | 61 | Low | 119 Ų | 119 | 96.3 Ų | 96.3 | 73% | 0.73 | 54% | 0.535 | S | S | * | . | trans | -52.2 | 82.4 | 131.9 | 57.6 | 0 | 0 | 0 | 0 | 101.3 | C86 S90 | C86-T88 PolarHBondContact O-N 2.86Å; T88-S90 PolarHBondContact O-N 3.2Å | ||
| 89 | N | 49.4 | Very low | 60.9 | Low | 89 Ų | 89 | 95.5 Ų | 95.5 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | trans | -56.8 | 88.7 | 160.2 | -76.1 | -39.2 | 0 | 0 | 0 | 99.3 | P87 L91 E93 L94 | P87-N89 WeakPolarHBondContact CB-OD1 3.3Å; P87-N89 PolarHBondContact O-N 3.05Å; N89-L91 PolarHBondContact O-N 3.12Å; N89-E93 PolarHBondContact OD1-OE2 3.04Å; N89-L94 HydrophobicContact CB-CD1 4.47Å; N89-L94 HydrophobicContact CB-CG 4.31Å | ||
| 90 | S | 52 | Low | 60.9 | Low | 48 Ų | 48 | 95 Ų | 95 | 34% | 0.336 | 53% | 0.534 | S | S | . | . | trans | -54.5 | 140 | 177.9 | 61.9 | 0 | 0 | 0 | 0 | 102.6 | T88 S92 E93 | T88-S90 PolarHBondContact O-N 3.2Å; S90-S92 VanDerWaalsContact CB-OG 3.25Å; S90-S92 WeakPolarHBondContact CB-OG 3.42Å; S90-S92 CarbonylContact O-C 3.55Å; S90-S92 PolarHBondContact O-N 2.92Å; S90-S92 PolarHBondContact OG-OG 3.25Å; S90-E93 PolarHBondContact O-N 3.34Å | ||
| 91 | L | 55.3 | Low | 60.6 | Low | 134 Ų | 134 | 95 Ų | 95 | 70% | 0.702 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -44.3 | -29.8 | 179.9 | -91.7 | 158.2 | 0 | 0 | 0 | 112.1 | N89 L94 N95 | N89-L91 PolarHBondContact O-N 3.12Å; L91-L94 PolarHBondContact O-N 3.36Å; L91-N95 PolarHBondContact O-N 3.07Å; L91-N95 PolarHBondContact O-ND2 2.72Å; L91-N95 PolarHBondContact O-OD1 2.71Å |
| 92 | S | 59 | Low | 60.8 | Low | 81 Ų | 81 | 100 Ų | 100 | 57% | 0.566 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -51.4 | -43.5 | 167.7 | 10.5 | 0 | 0 | 0 | 0 | 117 | S90 N95 | S90-S92 VanDerWaalsContact CB-OG 3.25Å; S90-S92 WeakPolarHBondContact CB-OG 3.42Å; S90-S92 CarbonylContact O-C 3.55Å; S90-S92 PolarHBondContact O-N 2.92Å; S90-S92 PolarHBondContact OG-OG 3.25Å; S92-N95 WeakPolarHBondContact O-CB 3.25Å; S92-N95 PolarHBondContact O-N 3.47Å |
| 93 | E | 60.7 | Low | 61.3 | Low | 100 Ų | 100 | 101.5 Ų | 101.5 | 47% | 0.467 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73 | -37.7 | 177.1 | -71.7 | -178.3 | 169.2 | 0 | 0 | 111.3 | N89 S90 N95 S96 | N89-E93 PolarHBondContact OD1-OE2 3.04Å; S90-E93 PolarHBondContact O-N 3.34Å; E93-N95 VanDerWaalsContact C-N 3.3Å; E93-N95 PolarHBondContact O-N 3.44Å; E93-S96 PolarHBondContact O-N 3.18Å; E93-S96 VanDerWaalsContact O-N 3.16Å; E93-S96 PolarHBondContact O-OG 2.75Å |
| 94 | L | 62.6 | Low | 62 | Low | 66 Ų | 66 | 100.5 Ų | 100.5 | 35% | 0.346 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.8 | -34.6 | 172.5 | -74.2 | 167.7 | 0 | 0 | 0 | 111.9 | N89 L91 S96 L97 I98 | N89-L94 HydrophobicContact CB-CD1 4.47Å; N89-L94 HydrophobicContact CB-CG 4.31Å; L91-L94 PolarHBondContact O-N 3.36Å; L94-S96 PolarHBondContact O-N 3.33Å; L94-L97 PolarHBondContact O-N 3.15Å; L94-I98 HydrophobicContact CB-CD1 4.37Å; L94-I98 WeakPolarHBondContact O-CG1 3.1Å; L94-I98 PolarHBondContact O-N 2.87Å |
| 95 | N | 62.7 | Low | 63 | Low | 109 Ų | 109 | 104.4 Ų | 104.4 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.2 | -21 | 175.2 | -69.5 | -20.9 | 0 | 0 | 0 | 113.1 | L91 S92 E93 | L91-N95 PolarHBondContact O-N 3.07Å; L91-N95 PolarHBondContact O-ND2 2.72Å; L91-N95 PolarHBondContact O-OD1 2.71Å; S92-N95 WeakPolarHBondContact O-CB 3.25Å; S92-N95 PolarHBondContact O-N 3.47Å; E93-N95 VanDerWaalsContact C-N 3.3Å; E93-N95 PolarHBondContact O-N 3.44Å |
| 96 | S | 67 | Low | 64.2 | Low | 101 Ų | 101 | 97.1 Ų | 97.1 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -81.7 | -21.7 | 173.4 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | E93 L94 | E93-S96 PolarHBondContact O-N 3.18Å; E93-S96 VanDerWaalsContact O-N 3.16Å; E93-S96 PolarHBondContact O-OG 2.75Å; L94-S96 PolarHBondContact O-N 3.33Å |
| 97 | L | 67.1 | Low | 65.5 | Low | 138 Ų | 138 | 100.6 Ų | 100.6 | 72% | 0.723 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -93.7 | -29.7 | 179.2 | -74.6 | 160.8 | 0 | 0 | 0 | 112.2 | L94 | L94-L97 PolarHBondContact O-N 3.15Å |
| 98 | I | 70.1 | Confident | 66.8 | Low | 112 Ų | 112 | 100.9 Ų | 100.9 | 57% | 0.574 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -96.3 | 103.1 | 179.3 | -57.6 | 171.6 | 0 | 0 | 0 | 107.6 | L94 S100 | L94-I98 HydrophobicContact CB-CD1 4.37Å; L94-I98 WeakPolarHBondContact O-CG1 3.1Å; L94-I98 PolarHBondContact O-N 2.87Å; I98-S100 PolarHBondContact O-N 2.97Å |
| 99 | I | 72.1 | Confident | 68.4 | Low | 85 Ų | 85 | 100.8 Ų | 100.8 | 44% | 0.436 | 58% | 0.584 | S | S | . | * | trans | -62.8 | 128 | 170.3 | -59.4 | 169.9 | 0 | 0 | 0 | 107.3 | E103 E105 A106 | I99-E103 HydrophobicContact CG2-CB 3.8Å; I99-E103 HydrophobicContact CG2-CG 4.45Å; I99-E105 HydrophobicContact CD1-CB 4.17Å; I99-E105 HydrophobicContact CG2-CB 4.05Å; I99-A106 HydrophobicContact CG2-CB 4.16Å | ||
| 100 | S | 71.5 | Confident | 69.7 | Low | 49 Ų | 49 | 101.9 Ų | 101.9 | 34% | 0.343 | 60% | 0.595 | S | S | . | * | trans | -62.1 | 138.1 | 174.2 | 165.3 | 0 | 0 | 0 | 0 | 109.2 | I98 D102 E103 | I98-S100 PolarHBondContact O-N 2.97Å; S100-D102 PolarHBondContact O-N 3.27Å; S100-E103 WeakPolarHBondContact O-CB 3.28Å; S100-E103 PolarHBondContact O-N 2.81Å | ||
| 101 | P | 70 | Confident | 71.2 | Confident | 107 Ų | 107 | 104.6 Ų | 104.6 | 70% | 0.695 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -16.6 | -176.8 | 25.5 | -35.3 | 0 | 0 | 0 | 113.6 | ||
| 102 | D | 73.8 | Confident | 72.5 | Confident | 149 Ų | 149 | 107.1 Ų | 107.1 | 80% | 0.797 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -6.5 | 178.1 | -60 | -44.3 | 0 | 0 | 0 | 113.8 | S100 | S100-D102 PolarHBondContact O-N 3.27Š|
| 103 | E | 79.3 | Confident | 73.7 | Confident | 102 Ų | 102 | 109.2 Ų | 109.2 | 48% | 0.477 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -77.1 | 146.2 | -179 | -69.1 | -70.1 | 157.7 | 0 | 0 | 111 | I99 S100 E105 A106 | I99-E103 HydrophobicContact CG2-CB 3.8Å; I99-E103 HydrophobicContact CG2-CG 4.45Å; S100-E103 WeakPolarHBondContact O-CB 3.28Å; S100-E103 PolarHBondContact O-N 2.81Å; E103-E105 PolarHBondContact O-N 2.97Å; E103-A106 WeakPolarHBondContact O-CB 3.03Å; E103-A106 PolarHBondContact O-N 3.05Å |
| 104 | P | 76.5 | Confident | 74.9 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 79% | 0.786 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -13.6 | -179.6 | 28.5 | -35.7 | 0 | 0 | 0 | 113.4 | ||
| 105 | E | 78.8 | Confident | 75.9 | Confident | 136 Ų | 136 | 110.2 Ų | 110.2 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -17.8 | 175.9 | -63 | 173.9 | 178.4 | 0 | 0 | 112.6 | I99 E103 L107 | I99-E105 HydrophobicContact CD1-CB 4.17Å; I99-E105 HydrophobicContact CG2-CB 4.05Å; E103-E105 PolarHBondContact O-N 2.97Å; E105-L107 PolarHBondContact O-N 3.4Å |
| 106 | A | 74.4 | Confident | 76.8 | Confident | 37 Ų | 37 | 110 Ų | 110 | 31% | 0.306 | 62% | 0.621 | S | S | . | * | trans | -70.1 | 117.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I99 E103 | I99-A106 HydrophobicContact CG2-CB 4.16Å; E103-A106 WeakPolarHBondContact O-CB 3.03Å; E103-A106 PolarHBondContact O-N 3.05Å | ||
| 107 | L | 75.6 | Confident | 77.7 | Confident | 175 Ų | 175 | 108.8 Ų | 108.8 | 92% | 0.916 | 60% | 0.604 | S | S | * | * | trans | -91.3 | 125.6 | -179.1 | -64.9 | 178.1 | 0 | 0 | 0 | 110.8 | E105 | E105-L107 PolarHBondContact O-N 3.4Š| ||
| 108 | G | 78.6 | Confident | 78.6 | Confident | 61 Ų | 61 | 106.2 Ų | 106.2 | 63% | 0.629 | 59% | 0.592 | S | S | * | * | S | Bend | trans | 112.6 | 164.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 109 | P | 79.5 | Confident | 79.4 | Confident | 117 Ų | 117 | 107 Ų | 107 | 76% | 0.76 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -65.6 | 155.6 | 169 | 30.6 | -33.8 | 0 | 0 | 0 | 110.1 | I111 | P109-I111 PolarHBondContact O-N 2.89Š|
| 110 | P | 77.9 | Confident | 80 | Confident | 111 Ų | 111 | 112.5 Ų | 112.5 | 72% | 0.721 | 62% | 0.617 | S | S | * | * | trans | -54 | 136.2 | 171.5 | -23.6 | 33.3 | 0 | 0 | 0 | 111.4 | E112 | P110-E112 PolarHBondContact O-N 2.97Š| ||
| 111 | I | 82.8 | Confident | 80.6 | Confident | 105 Ų | 105 | 112.7 Ų | 112.7 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | trans | -82.6 | 109.4 | 173.9 | -59.8 | 169.7 | 0 | 0 | 0 | 107.8 | P109 L114 E117 | P109-I111 PolarHBondContact O-N 2.89Å; I111-L114 HydrophobicContact CG2-CD2 4.48Å; I111-E117 HydrophobicContact CD1-CG 4.42Å; I111-E117 HydrophobicContact CG2-CG 3.91Å; I111-E117 WeakPolarHBondContact CG2-OE1 3.41Å | ||
| 112 | E | 82.6 | Confident | 81.5 | Confident | 187 Ų | 187 | 110.4 Ų | 110.4 | 87% | 0.874 | 60% | 0.604 | S | S | * | * | trans | -86.6 | -27.3 | 179.9 | -63.2 | -173.6 | 173.3 | 0 | 0 | 112.9 | P110 | P110-E112 PolarHBondContact O-N 2.97Š| ||
| 113 | E | 83.7 | Confident | 82.2 | Confident | 126 Ų | 126 | 106.2 Ų | 106.2 | 59% | 0.589 | 58% | 0.581 | S | S | * | * | trans | -129.5 | 119.1 | -176.9 | -66.5 | -177.7 | 177.1 | 0 | 0 | 110.7 | ||||
| 114 | L | 85.4 | Confident | 82.6 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -80.9 | -14.5 | 178.9 | -74.7 | 169.2 | 0 | 0 | 0 | 113.6 | I111 N116 E117 V126 L130 | I111-L114 HydrophobicContact CG2-CD2 4.48Å; L114-N116 PolarHBondContact O-N 2.92Å; L114-N116 VanDerWaalsContact O-N 3.12Å; L114-E117 HydrophobicContact CD2-CG 4.33Å; L114-E117 PolarHBondContact O-N 3.44Å; L114-V126 VanDerWaalsContact O-CG1 3.3Å; L114-V126 WeakPolarHBondContact O-CG1 3.08Å; L114-L130 HydrophobicContact CB-CD1 4.09Å; L114-L130 HydrophobicContact CB-CD2 4.17Å; L114-L130 HydrophobicContact CD1-CD2 4.15Å |
| 115 | D | 84.4 | Confident | 83.2 | Confident | 83 Ų | 83 | 106.2 Ų | 106.2 | 44% | 0.444 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -61.9 | -22.9 | -174.2 | -70.7 | -46.3 | 0 | 0 | 0 | 113.4 | L130 | D115-L130 WeakPolarHBondContact OD1-CD1 3.3Š|
| 116 | N | 82.8 | Confident | 83.6 | Confident | 104 Ų | 104 | 100.6 Ų | 100.6 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -105.2 | 4.4 | -175.7 | -57 | -48.1 | 0 | 0 | 0 | 113.3 | L114 D118 | L114-N116 PolarHBondContact O-N 2.92Å; L114-N116 VanDerWaalsContact O-N 3.12Å; N116-D118 VanDerWaalsContact C-N 3.31Å; N116-D118 PolarHBondContact O-N 2.93Å |
| 117 | E | 84.4 | Confident | 84.2 | Confident | 76 Ų | 76 | 102.8 Ų | 102.8 | 36% | 0.355 | 55% | 0.552 | S | S | . | * | trans | -85.1 | 67.5 | -178.1 | -67.7 | -61.1 | 149.7 | 0 | 0 | 111.8 | I111 L114 | I111-E117 HydrophobicContact CD1-CG 4.42Å; I111-E117 HydrophobicContact CG2-CG 3.91Å; I111-E117 WeakPolarHBondContact CG2-OE1 3.41Å; L114-E117 HydrophobicContact CD2-CG 4.33Å; L114-E117 PolarHBondContact O-N 3.44Å | ||
| 118 | D | 87.3 | Confident | 84.8 | Confident | 85 Ų | 85 | 100.6 Ų | 100.6 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | trans | -103.3 | 5.4 | -173.7 | 73.8 | -14.6 | 0 | 0 | 0 | 114.9 | N116 F120 C121 I123 | N116-D118 VanDerWaalsContact C-N 3.31Å; N116-D118 PolarHBondContact O-N 2.93Å; D118-F120 VanDerWaalsContact C-N 3.3Å; D118-F120 PolarHBondContact O-N 2.86Å; D118-C121 CarbonylContact C-O 3.59Å; D118-C121 WeakPolarHBondContact CA-O 3.42Å; D118-I123 HydrophobicContact CB-CB 4.13Å | ||
| 119 | I | 86.7 | Confident | 85.3 | Confident | 128 Ų | 128 | 101.5 Ų | 101.5 | 66% | 0.656 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -61.9 | -38.7 | -176.4 | -60.9 | 176.4 | 0 | 0 | 0 | 111.7 | ||
| 120 | F | 85.1 | Confident | 85.7 | Confident | 200 Ų | 200 | 97.8 Ų | 97.8 | 88% | 0.877 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -116 | -4.9 | -176.7 | -57.9 | -73.3 | 0 | 0 | 0 | 113.6 | D118 | D118-F120 VanDerWaalsContact C-N 3.3Å; D118-F120 PolarHBondContact O-N 2.86Å |
| 121 | C | 83.1 | Confident | 86.2 | Confident | 53 Ų | 53 | 97.8 Ų | 97.8 | 36% | 0.358 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -138.4 | 140 | -176.6 | -169.4 | 0 | 0 | 0 | 0 | 109.5 | D118 I123 V126 | D118-C121 CarbonylContact C-O 3.59Å; D118-C121 WeakPolarHBondContact CA-O 3.42Å; C121-I123 PolarHBondContact O-N 3.18Å; C121-V126 HydrophobicContact CB-CG2 3.77Å |
| 122 | S | 87.9 | Confident | 86.4 | Confident | 59 Ų | 59 | 101.9 Ų | 101.9 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | trans | -57.8 | 132.6 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | H124 L125 V126 | S122-H124 PolarHBondContact O-N 2.95Å; S122-H124 PolarHBondContact OG-N 2.99Å; S122-L125 WeakPolarHBondContact O-CA 3.39Å; S122-L125 WeakPolarHBondContact O-CB 3.2Å; S122-L125 PolarHBondContact O-N 2.81Å; S122-V126 PolarHBondContact O-N 3.48Å | ||
| 123 | I | 89.4 | Confident | 86.4 | Confident | 62 Ų | 62 | 100.6 Ų | 100.6 | 32% | 0.318 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -51.7 | -33.1 | 175.8 | -166.1 | 164 | 0 | 0 | 0 | 112.3 | D118 C121 V126 Q127 | D118-I123 HydrophobicContact CB-CB 4.13Å; C121-I123 PolarHBondContact O-N 3.18Å; I123-V126 PolarHBondContact O-N 3.36Å; I123-Q127 WeakPolarHBondContact O-CB 3.25Å; I123-Q127 VanDerWaalsContact O-CG 3.27Å; I123-Q127 WeakPolarHBondContact O-CG 3.41Å; I123-Q127 PolarHBondContact O-N 3.34Å |
| 124 | H | 87.6 | Confident | 86.1 | Confident | 133 Ų | 133 | 100.7 Ų | 100.7 | 62% | 0.616 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 175.7 | -66.2 | -56.2 | 0 | 0 | 0 | 112.8 | S122 E128 | S122-H124 PolarHBondContact O-N 2.95Å; S122-H124 PolarHBondContact OG-N 2.99Å; H124-E128 VanDerWaalsContact O-CB 3.25Å; H124-E128 WeakPolarHBondContact O-CB 3.27Å; H124-E128 PolarHBondContact O-N 3.28Å |
| 125 | L | 88.5 | Confident | 84.5 | Confident | 89 Ų | 89 | 109.2 Ų | 109.2 | 47% | 0.466 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.3 | -38.6 | 178.1 | -70.5 | 174.4 | 0 | 0 | 0 | 111.2 | S122 E128 V129 | S122-L125 WeakPolarHBondContact O-CA 3.39Å; S122-L125 WeakPolarHBondContact O-CB 3.2Å; S122-L125 PolarHBondContact O-N 2.81Å; L125-E128 PolarHBondContact O-N 3.41Å; L125-V129 WeakPolarHBondContact O-CB 3.21Å; L125-V129 VanDerWaalsContact O-CG2 3.28Å; L125-V129 WeakPolarHBondContact O-CG2 3.01Å; L125-V129 PolarHBondContact O-N 3.31Å |
| 126 | V | 87 | Confident | 84.5 | Confident | 19 Ų | 19 | 110.5 Ų | 110.5 | 12% | 0.115 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -57.9 | -52.1 | 173.8 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | L114 C121 S122 I123 E128 V129 L130 | L114-V126 VanDerWaalsContact O-CG1 3.3Å; L114-V126 WeakPolarHBondContact O-CG1 3.08Å; C121-V126 HydrophobicContact CB-CG2 3.77Å; S122-V126 PolarHBondContact O-N 3.48Å; I123-V126 PolarHBondContact O-N 3.36Å; V126-E128 PolarHBondContact O-N 3.33Å; V126-V129 PolarHBondContact O-N 3.16Å; V126-L130 HydrophobicContact CG1-CD1 3.77Å; V126-L130 HydrophobicContact CG1-CG 4.41Å; V126-L130 WeakPolarHBondContact O-CB 3.27Å; V126-L130 VanDerWaalsContact O-CG 3.25Å; V126-L130 WeakPolarHBondContact O-CG 3.49Å; V126-L130 PolarHBondContact O-N 3.24Å |
| 127 | Q | 88 | Confident | 84.5 | Confident | 83 Ų | 83 | 110.8 Ų | 110.8 | 39% | 0.388 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 177.7 | -72.4 | 175.5 | -9.3 | 0 | 0 | 112.6 | I123 L130 N131 | I123-Q127 WeakPolarHBondContact O-CB 3.25Å; I123-Q127 VanDerWaalsContact O-CG 3.27Å; I123-Q127 WeakPolarHBondContact O-CG 3.41Å; I123-Q127 PolarHBondContact O-N 3.34Å; Q127-L130 PolarHBondContact O-N 3.28Å; Q127-N131 WeakPolarHBondContact O-CB 3.19Å; Q127-N131 PolarHBondContact O-N 3.24Å; Q127-N131 PolarHBondContact O-ND2 3.08Å |
| 128 | E | 88.8 | Confident | 84.5 | Confident | 128 Ų | 128 | 112.8 Ų | 112.8 | 60% | 0.598 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.7 | -46.3 | 177.7 | -175.1 | 174 | -177.6 | 0 | 0 | 111.5 | H124 L125 V126 N131 Y132 | H124-E128 VanDerWaalsContact O-CB 3.25Å; H124-E128 WeakPolarHBondContact O-CB 3.27Å; H124-E128 PolarHBondContact O-N 3.28Å; L125-E128 PolarHBondContact O-N 3.41Å; V126-E128 PolarHBondContact O-N 3.33Å; E128-N131 PolarHBondContact O-N 3.45Å; E128-Y132 WeakPolarHBondContact O-CB 3.27Å; E128-Y132 PolarHBondContact O-N 3Å |
| 129 | V | 87.8 | Confident | 84.4 | Confident | 81 Ų | 81 | 114.4 Ų | 114.4 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.6 | -42.2 | 178.3 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | L125 V126 Y132 K133 | L125-V129 WeakPolarHBondContact O-CB 3.21Å; L125-V129 VanDerWaalsContact O-CG2 3.28Å; L125-V129 WeakPolarHBondContact O-CG2 3.01Å; L125-V129 PolarHBondContact O-N 3.31Å; V126-V129 PolarHBondContact O-N 3.16Å; V129-Y132 PolarHBondContact O-N 3.15Å; V129-K133 PolarHBondContact O-N 2.84Å |
| 130 | L | 88.5 | Confident | 84.2 | Confident | 39 Ų | 39 | 113.6 Ų | 113.6 | 20% | 0.204 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.5 | -70 | 174.2 | 0 | 0 | 0 | 111 | L114 D115 V126 Q127 Y132 K133 V134 | L114-L130 HydrophobicContact CB-CD1 4.09Å; L114-L130 HydrophobicContact CB-CD2 4.17Å; L114-L130 HydrophobicContact CD1-CD2 4.15Å; D115-L130 WeakPolarHBondContact OD1-CD1 3.3Å; V126-L130 HydrophobicContact CG1-CD1 3.77Å; V126-L130 HydrophobicContact CG1-CG 4.41Å; V126-L130 WeakPolarHBondContact O-CB 3.27Å; V126-L130 VanDerWaalsContact O-CG 3.25Å; V126-L130 WeakPolarHBondContact O-CG 3.49Å; V126-L130 PolarHBondContact O-N 3.24Å; Q127-L130 PolarHBondContact O-N 3.28Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 3.21Å; L130-K133 PolarHBondContact O-N 3.41Å; L130-V134 VanDerWaalsContact O-CG2 3.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.34Å; L130-V134 PolarHBondContact O-N 3.05Å |
| 131 | N | 87.7 | Confident | 84.2 | Confident | 111 Ų | 111 | 107.8 Ų | 107.8 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.1 | -35.5 | 175.5 | -75.9 | -38.4 | 0 | 0 | 0 | 112.8 | Q127 E128 | Q127-N131 WeakPolarHBondContact O-CB 3.19Å; Q127-N131 PolarHBondContact O-N 3.24Å; Q127-N131 PolarHBondContact O-ND2 3.08Å; E128-N131 PolarHBondContact O-N 3.45Å |
| 132 | Y | 87.5 | Confident | 84.3 | Confident | 190 Ų | 190 | 111.7 Ų | 111.7 | 75% | 0.745 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68 | -39.1 | 176 | -171.3 | -94 | 0 | 0 | 0 | 111.9 | E128 V129 L130 | E128-Y132 WeakPolarHBondContact O-CB 3.27Å; E128-Y132 PolarHBondContact O-N 3Å; V129-Y132 PolarHBondContact O-N 3.15Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 3.21Å |
| 133 | K | 82.7 | Confident | 84 | Confident | 160 Ų | 160 | 115.8 Ų | 115.8 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -74.7 | -26.4 | 179.7 | -76.8 | -176.9 | 176.6 | -180 | 0 | 114.5 | V129 L130 R135 | V129-K133 PolarHBondContact O-N 2.84Å; L130-K133 PolarHBondContact O-N 3.41Å; K133-R135 VanDerWaalsContact C-N 3.25Å |
| 134 | V | 76.9 | Confident | 83.5 | Confident | 128 Ų | 128 | 120.3 Ų | 120.3 | 78% | 0.776 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -12.3 | 179.7 | 174.2 | 0 | 0 | 0 | 0 | 112 | L130 | L130-V134 VanDerWaalsContact O-CG2 3.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.34Å; L130-V134 PolarHBondContact O-N 3.05Å |
| 135 | R | 51.3 | Low | 83.2 | Confident | 282 Ų | 282 | 119.1 Ų | 119.1 | 100% | 1.064 | 56% | 0.558 | S | S | * | * | trans | -98.6 | 0 | 171.6 | -82.2 | -174.5 | 173.4 | 177.7 | 0.4 | 112.3 | K133 | K133-R135 VanDerWaalsContact C-N 3.25Š|
Retrieved 135 of 135 residues in 99.5 ms
(Link to these results)