| 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 | 80.5 | Confident | 86.6 | Confident | 224 Ų | 224 | 109.5 Ų | 109.5 | 100% | 1.103 | 62% | 0.622 | S | S | * | * | 0 | -24.2 | 0 | -64.3 | -58.7 | -84.1 | 0 | 0 | 113.3 | Y3 | M1-Y3 PolarHBondContact O-N 3.46Š| |||
| 2 | G | 87.1 | Confident | 86.8 | Confident | 81 Ų | 81 | 109.7 Ų | 109.7 | 84% | 0.835 | 62% | 0.62 | S | S | * | * | trans | 66.5 | 23 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3 | Y | 87.1 | Confident | 86.5 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 43% | 0.427 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -76.3 | 128.7 | 178.2 | 173.3 | -99.2 | 0 | 0 | 0 | 110.4 | M1 Q7 F9 | M1-Y3 PolarHBondContact O-N 3.46Å; Y3-Q7 WeakPolarHBondContact CE2-O 3.3Å; Y3-F9 HydrophobicContact CD2-CD1 4.13Å; Y3-F9 AromaticContact CD2-CE1 3.5Å; Y3-F9 HydrophobicContact CD2-CE1 3.5Å; Y3-F9 HydrophobicContact CD2-CE2 4.07Å; Y3-F9 AromaticContact CD2-CZ 3.46Å; Y3-F9 HydrophobicContact CD2-CZ 3.46Å; Y3-F9 VanDerWaalsContact CD2-CZ 3.46Å; Y3-F9 HydrophobicContact CE2-CD2 4.5Å; Y3-F9 HydrophobicContact CE2-CE1 4.23Å; Y3-F9 AromaticContact CE2-CE2 3.96Å; Y3-F9 HydrophobicContact CE2-CE2 3.96Å; Y3-F9 AromaticContact CE2-CZ 3.81Å; Y3-F9 HydrophobicContact CE2-CZ 3.81Å; Y3-F9 HydrophobicContact CG-CE1 4.15Å; Y3-F9 HydrophobicContact CG-CZ 4.12Å |
| 4 | E | 85.7 | Confident | 86.7 | Confident | 118 Ų | 118 | 107.7 Ų | 107.7 | 55% | 0.551 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 133.2 | 171.7 | -63.8 | -171.8 | 167.5 | 0 | 0 | 110.1 | G6 Q7 | E4-G6 PolarHBondContact O-N 3.07Å; E4-Q7 HydrophobicContact CB-CB 4.45Å; E4-Q7 HydrophobicContact CB-CG 4.36Å; E4-Q7 PolarHBondContact O-N 3.46Å; E4-Q7 VanDerWaalsContact O-N 3.14Å; E4-Q7 VanDerWaalsContact OE2-CD 3.31Å; E4-Q7 PolarHBondContact OE2-NE2 3.44Å; E4-Q7 PolarHBondContact OE2-OE1 2.85Å |
| 5 | H | 86.6 | Confident | 86.9 | Confident | 184 Ų | 184 | 102.3 Ų | 102.3 | 85% | 0.852 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 127.3 | -179.5 | -176.2 | 77.8 | 0 | 0 | 0 | 110.8 | ||
| 6 | G | 86.9 | Confident | 87 | Confident | 45 Ų | 45 | 102.9 Ų | 102.9 | 46% | 0.464 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 92.4 | -2.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E4 V17 | E4-G6 PolarHBondContact O-N 3.07Å; G6-V17 WeakPolarHBondContact O-CG2 3.37Å |
| 7 | Q | 88.1 | Confident | 87.2 | Confident | 83 Ų | 83 | 101.5 Ų | 101.5 | 39% | 0.388 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -101.2 | 142.1 | 173.9 | -76.4 | -179.6 | 4.8 | 0 | 0 | 111.8 | Y3 E4 A13 | Y3-Q7 WeakPolarHBondContact CE2-O 3.3Å; E4-Q7 HydrophobicContact CB-CB 4.45Å; E4-Q7 HydrophobicContact CB-CG 4.36Å; E4-Q7 PolarHBondContact O-N 3.46Å; E4-Q7 VanDerWaalsContact O-N 3.14Å; E4-Q7 VanDerWaalsContact OE2-CD 3.31Å; E4-Q7 PolarHBondContact OE2-NE2 3.44Å; E4-Q7 PolarHBondContact OE2-OE1 2.85Å; Q7-A13 HydrophobicContact CB-CB 4.02Å; Q7-A13 HydrophobicContact CG-CB 4.13Å |
| 8 | G | 88 | Confident | 87.3 | Confident | 7 Ų | 7 | 104.2 Ų | 104.2 | 7% | 0.072 | 59% | 0.588 | C | S | . | * | P | Polyproline II helix | trans | -67.4 | 154.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A13 G15 | G8-A13 PolarHBondContact N-O 2.96Å; G8-A13 VanDerWaalsContact O-CA 3.27Å; G8-A13 WeakPolarHBondContact O-CA 3.44Å; G8-G15 WeakPolarHBondContact CA-O 3.36Å |
| 9 | F | 87.6 | Confident | 87.3 | Confident | 142 Ų | 142 | 105.4 Ų | 105.4 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -68.2 | 150.7 | 168.8 | -72.2 | -77.4 | 0 | 0 | 0 | 111.7 | Y3 G15 | Y3-F9 HydrophobicContact CD2-CD1 4.13Å; Y3-F9 AromaticContact CD2-CE1 3.5Å; Y3-F9 HydrophobicContact CD2-CE1 3.5Å; Y3-F9 HydrophobicContact CD2-CE2 4.07Å; Y3-F9 AromaticContact CD2-CZ 3.46Å; Y3-F9 HydrophobicContact CD2-CZ 3.46Å; Y3-F9 VanDerWaalsContact CD2-CZ 3.46Å; Y3-F9 HydrophobicContact CE2-CD2 4.5Å; Y3-F9 HydrophobicContact CE2-CE1 4.23Å; Y3-F9 AromaticContact CE2-CE2 3.96Å; Y3-F9 HydrophobicContact CE2-CE2 3.96Å; Y3-F9 AromaticContact CE2-CZ 3.81Å; Y3-F9 HydrophobicContact CE2-CZ 3.81Å; Y3-F9 HydrophobicContact CG-CE1 4.15Å; Y3-F9 HydrophobicContact CG-CZ 4.12Å; F9-G15 VanDerWaalsContact O-CA 3.25Å; F9-G15 WeakPolarHBondContact O-CA 3.32Å; F9-G15 PolarHBondContact O-N 2.97Å |
| 10 | G | 87.8 | Confident | 87.4 | Confident | 58 Ų | 58 | 105.5 Ų | 105.5 | 60% | 0.598 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 124.4 | 160.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N12 A13 | G10-N12 PolarHBondContact O-N 3.17Å; G10-A13 PolarHBondContact O-N 3.36Å |
| 11 | V | 86.9 | Confident | 87.4 | Confident | 153 Ų | 153 | 105.1 Ų | 105.1 | 93% | 0.927 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -30.4 | -174.6 | 179.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 12 | N | 88.6 | Confident | 87.7 | Confident | 112 Ų | 112 | 101.9 Ų | 101.9 | 60% | 0.599 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 16.9 | -178.1 | -58.3 | -19 | 0 | 0 | 0 | 113.2 | G10 H14 | G10-N12 PolarHBondContact O-N 3.17Å; N12-H14 WeakPolarHBondContact CB-CD2 3.27Å; N12-H14 WeakPolarHBondContact CB-NE2 3.24Å; N12-H14 PolarHBondContact O-CE1 3.38Å; N12-H14 PolarHBondContact O-N 3.41Å; N12-H14 VanDerWaalsContact O-N 3.16Å; N12-H14 PolarHBondContact O-ND1 3.06Å; N12-H14 VanDerWaalsContact O-ND1 3.11Å |
| 13 | A | 84 | Confident | 87.2 | Confident | 35 Ų | 35 | 103.9 Ų | 103.9 | 29% | 0.289 | 60% | 0.6 | S | S | . | * | S | Bend | trans | 57.3 | 26 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q7 G8 G10 | Q7-A13 HydrophobicContact CB-CB 4.02Å; Q7-A13 HydrophobicContact CG-CB 4.13Å; G8-A13 PolarHBondContact N-O 2.96Å; G8-A13 VanDerWaalsContact O-CA 3.27Å; G8-A13 WeakPolarHBondContact O-CA 3.44Å; G10-A13 PolarHBondContact O-N 3.36Å |
| 14 | H | 88.6 | Confident | 86.7 | Confident | 157 Ų | 157 | 107.8 Ų | 107.8 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -89.8 | 3.2 | -176.7 | -59 | -35.9 | 0 | 0 | 0 | 114.9 | N12 | N12-H14 WeakPolarHBondContact CB-CD2 3.27Å; N12-H14 WeakPolarHBondContact CB-NE2 3.24Å; N12-H14 PolarHBondContact O-CE1 3.38Å; N12-H14 PolarHBondContact O-N 3.41Å; N12-H14 VanDerWaalsContact O-N 3.16Å; N12-H14 PolarHBondContact O-ND1 3.06Å; N12-H14 VanDerWaalsContact O-ND1 3.11Å | ||
| 15 | G | 89.4 | Confident | 86 | Confident | 27 Ų | 27 | 107.6 Ų | 107.6 | 28% | 0.278 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -62 | 155.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G8 F9 V17 | G8-G15 WeakPolarHBondContact CA-O 3.36Å; F9-G15 VanDerWaalsContact O-CA 3.25Å; F9-G15 WeakPolarHBondContact O-CA 3.32Å; F9-G15 PolarHBondContact O-N 2.97Å; G15-V17 PolarHBondContact O-N 2.9Å |
| 16 | V | 88.3 | Confident | 85.2 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 67% | 0.673 | 60% | 0.603 | S | S | * | * | trans | -66.5 | 129.8 | 171.4 | -163.2 | 0 | 0 | 0 | 0 | 108.3 | E18 | V16-E18 WeakPolarHBondContact CG1-O 3.35Š| ||
| 17 | V | 90.3 | Very high | 84.5 | Confident | 79 Ų | 79 | 103.2 Ų | 103.2 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -79.7 | -30 | -178.4 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | G6 G15 | G6-V17 WeakPolarHBondContact O-CG2 3.37Å; G15-V17 PolarHBondContact O-N 2.9Å |
| 18 | E | 88.9 | Confident | 83.7 | Confident | 151 Ų | 151 | 109.1 Ų | 109.1 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -113.8 | 148.7 | 179.6 | -63.7 | -171.6 | 165.7 | 0 | 0 | 111 | V16 V20 | V16-E18 WeakPolarHBondContact CG1-O 3.35Å; E18-V20 PolarHBondContact O-N 3.37Å |
| 19 | P | 87.9 | Confident | 82.8 | Confident | 127 Ų | 127 | 111.7 Ų | 111.7 | 83% | 0.825 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 138.6 | 172.5 | -22.4 | 33 | 0 | 0 | 0 | 111.6 | A21 | P19-A21 PolarHBondContact O-N 3.05Š|
| 20 | V | 89.6 | Confident | 82.1 | Confident | 107 Ų | 107 | 107.6 Ų | 107.6 | 65% | 0.648 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 121.1 | 174 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | E18 L22 | E18-V20 PolarHBondContact O-N 3.37Å; V20-L22 PolarHBondContact O-N 3.15Å |
| 21 | A | 88.2 | Confident | 81.5 | Confident | 98 Ų | 98 | 112.9 Ų | 112.9 | 81% | 0.81 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 127 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P19 | P19-A21 PolarHBondContact O-N 3.05Š|
| 22 | L | 85.3 | Confident | 80.9 | Confident | 156 Ų | 156 | 109.3 Ų | 109.3 | 82% | 0.817 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 135 | 175.3 | -60.7 | 177.7 | 0 | 0 | 0 | 109.8 | V20 | V20-L22 PolarHBondContact O-N 3.15Š|
| 23 | S | 76.9 | Confident | 79.9 | Confident | 122 Ų | 122 | 107.6 Ų | 107.6 | 85% | 0.853 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 125.1 | 168.8 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 24 | K | 76.7 | Confident | 78.8 | Confident | 191 Ų | 191 | 111.7 Ų | 111.7 | 83% | 0.83 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 131.2 | 169.4 | -65.1 | -174.3 | 178.5 | -175.9 | 0 | 110 | ||
| 25 | Q | 71.7 | Confident | 77.3 | Confident | 114 Ų | 114 | 110.7 Ų | 110.7 | 53% | 0.533 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -68.9 | 133.4 | 164.4 | -172.8 | 175.8 | -52.4 | 0 | 0 | 108.3 | G27 S29 | Q25-G27 PolarHBondContact NE2-O 3.28Å; Q25-S29 PolarHBondContact NE2-O 3.34Å |
| 26 | K | 69.8 | Low | 75.5 | Confident | 119 Ų | 119 | 113.6 Ų | 113.6 | 52% | 0.517 | 66% | 0.655 | S | S | . | * | trans | -116.8 | 125.9 | 173.7 | -179 | 65.4 | 171.8 | 155.9 | 0 | 106.1 | D73 | K26-D73 WeakPolarHBondContact CE-O 3.38Å; K26-D73 PolarHBondContact NZ-O 3.08Å | ||
| 27 | G | 71.2 | Confident | 73.7 | Confident | 18 Ų | 18 | 115.8 Ų | 115.8 | 19% | 0.186 | 67% | 0.669 | C | S | . | * | S | Bend | trans | 76.5 | -175.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q25 S29 | Q25-G27 PolarHBondContact NE2-O 3.28Å; G27-S29 PolarHBondContact O-N 2.91Å |
| 28 | R | 71.8 | Confident | 71.5 | Confident | 207 Ų | 207 | 116.4 Ų | 116.4 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -99.2 | 30.4 | -177.5 | -58.8 | 173.9 | 66 | 133.6 | 0.1 | 113.5 | D75 | R28-D75 WeakPolarHBondContact CD-OD2 3.05Š|
| 29 | S | 68.7 | Low | 69.4 | Low | 61 Ų | 61 | 112.2 Ų | 112.2 | 43% | 0.427 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 140.3 | 177.5 | -71.4 | 0 | 0 | 0 | 0 | 111.1 | Q25 G27 | Q25-S29 PolarHBondContact NE2-O 3.34Å; G27-S29 PolarHBondContact O-N 2.91Å |
| 30 | G | 74.2 | Confident | 67.2 | Low | 56 Ų | 56 | 110.8 Ų | 110.8 | 58% | 0.577 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 151.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G32 S33 | G30-G32 PolarHBondContact O-N 3.4Å; G30-S33 VanDerWaalsContact O-CB 3.24Å; G30-S33 WeakPolarHBondContact O-CB 3.29Å; G30-S33 PolarHBondContact O-N 3.48Å; G30-S33 VanDerWaalsContact O-N 3.08Å |
| 31 | L | 74 | Confident | 65.1 | Low | 169 Ų | 169 | 112.8 Ų | 112.8 | 89% | 0.885 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 131.2 | 175.2 | -65.2 | 172.3 | 0 | 0 | 0 | 110.1 | ||
| 32 | G | 74.8 | Confident | 62.9 | Low | 78 Ų | 78 | 115.4 Ų | 115.4 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.5 | -1.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G30 V34 | G30-G32 PolarHBondContact O-N 3.4Å; G32-V34 PolarHBondContact O-N 2.89Å; G32-V34 VanDerWaalsContact O-N 3.08Å |
| 33 | S | 68.1 | Low | 60.9 | Low | 76 Ų | 76 | 115.6 Ų | 115.6 | 53% | 0.531 | 65% | 0.651 | S | S | . | * | trans | -67.9 | 106.5 | 171.7 | -166.6 | 0 | 0 | 0 | 0 | 110.1 | G30 K35 | G30-S33 VanDerWaalsContact O-CB 3.24Å; G30-S33 WeakPolarHBondContact O-CB 3.29Å; G30-S33 PolarHBondContact O-N 3.48Å; G30-S33 VanDerWaalsContact O-N 3.08Å; S33-K35 PolarHBondContact O-N 3.41Å | ||
| 34 | V | 60.3 | Low | 59.6 | Low | 122 Ų | 122 | 114.5 Ų | 114.5 | 74% | 0.739 | 64% | 0.635 | S | S | * | * | trans | -72.6 | 115.8 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | G32 T36 | G32-V34 PolarHBondContact O-N 2.89Å; G32-V34 VanDerWaalsContact O-N 3.08Å; V34-T36 PolarHBondContact O-N 3.02Å | ||
| 35 | K | 57.1 | Low | 58 | Low | 135 Ų | 135 | 112.7 Ų | 112.7 | 59% | 0.587 | 63% | 0.629 | S | S | * | * | trans | -64.3 | 97.8 | 167.2 | -65.7 | -179.3 | -176.8 | 174.7 | 0 | 107.7 | S33 T37 | S33-K35 PolarHBondContact O-N 3.41Å; K35-T37 PolarHBondContact O-N 3.07Å | ||
| 36 | T | 52.2 | Low | 56.7 | Low | 88 Ų | 88 | 111.1 Ų | 111.1 | 54% | 0.54 | 63% | 0.631 | S | S | . | * | trans | -60.5 | 135.6 | 164.4 | 55.2 | 0 | 0 | 0 | 0 | 106.8 | V34 S38 S39 | V34-T36 PolarHBondContact O-N 3.02Å; T36-S38 PolarHBondContact O-N 3.05Å; T36-S38 PolarHBondContact OG1-OG 3.47Å; T36-S38 VanDerWaalsContact OG1-OG 3.11Å; T36-S39 PolarHBondContact O-N 2.53Å | ||
| 37 | T | 49.5 | Very low | 55.6 | Low | 158 Ų | 158 | 113.2 Ų | 113.2 | 97% | 0.969 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 15.8 | -179.3 | 44.6 | 0 | 0 | 0 | 0 | 114.1 | K35 | K35-T37 PolarHBondContact O-N 3.07Š|
| 38 | S | 44.7 | Very low | 54.6 | Low | 92 Ų | 92 | 118.6 Ų | 118.6 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 0.9 | 169.1 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | T36 S40 | T36-S38 PolarHBondContact O-N 3.05Å; T36-S38 PolarHBondContact OG1-OG 3.47Å; T36-S38 VanDerWaalsContact OG1-OG 3.11Å; S38-S40 VanDerWaalsContact C-N 3.33Å; S38-S40 PolarHBondContact O-N 2.74Å |
| 39 | S | 43.9 | Very low | 53.8 | Low | 63 Ų | 63 | 111 Ų | 111 | 44% | 0.441 | 66% | 0.661 | S | S | . | * | trans | -96 | 45 | 177.6 | -174 | 0 | 0 | 0 | 0 | 112.1 | T36 D41 | T36-S39 PolarHBondContact O-N 2.53Å; S39-D41 PolarHBondContact O-N 3.12Å | ||
| 40 | S | 42.1 | Very low | 53.5 | Low | 96 Ų | 96 | 117.5 Ų | 117.5 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -70.8 | 117.6 | 151.7 | 51.4 | 0 | 0 | 0 | 0 | 106.2 | S38 K42 | S38-S40 VanDerWaalsContact C-N 3.33Å; S38-S40 PolarHBondContact O-N 2.74Å; S40-K42 PolarHBondContact O-N 3.33Å |
| 41 | D | 46.4 | Very low | 53.2 | Low | 149 Ų | 149 | 120.1 Ų | 120.1 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | trans | 48.6 | 70.1 | 170.9 | -48.3 | -33.7 | 0 | 0 | 0 | 113.3 | S39 K43 | S39-D41 PolarHBondContact O-N 3.12Å; D41-K43 PolarHBondContact O-N 3.25Å | ||
| 42 | K | 42.2 | Very low | 53.1 | Low | 154 Ų | 154 | 117.4 Ų | 117.4 | 67% | 0.67 | 66% | 0.664 | S | S | * | * | trans | -66.5 | 74.2 | 143 | -69.3 | -159.8 | 179 | -163.5 | 0 | 106.5 | S40 I44 | S40-K42 PolarHBondContact O-N 3.33Å; K42-I44 PolarHBondContact O-N 3.08Å | ||
| 43 | K | 43.6 | Very low | 53.3 | Low | 159 Ų | 159 | 121.7 Ų | 121.7 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | trans | -35.2 | 113.8 | 145.2 | 176.4 | -177 | -175.6 | -176.2 | 0 | 102.9 | D41 E45 | D41-K43 PolarHBondContact O-N 3.25Å; K43-E45 VanDerWaalsContact C-N 3.34Å; K43-E45 WeakPolarHBondContact O-CA 3.43Å; K43-E45 PolarHBondContact O-N 3.49Å | ||
| 44 | I | 49.4 | Very low | 53.9 | Low | 99 Ų | 99 | 118.6 Ų | 118.6 | 51% | 0.508 | 64% | 0.641 | S | S | . | * | trans | -32.6 | 108.9 | 175.6 | -66 | 167.7 | 0 | 0 | 0 | 104.6 | K42 S46 F47 | K42-I44 PolarHBondContact O-N 3.08Å; I44-S46 VanDerWaalsContact C-N 3.32Å; I44-S46 WeakPolarHBondContact O-CA 3.35Å; I44-S46 PolarHBondContact O-N 3.22Å; I44-F47 HydrophobicContact CG2-CD2 4.39Å | ||
| 45 | E | 41.9 | Very low | 55 | Low | 154 Ų | 154 | 117 Ų | 117 | 72% | 0.72 | 64% | 0.635 | S | S | * | * | trans | -47.1 | 111.3 | -174.9 | -92.7 | 172.1 | 179.7 | 0 | 0 | 103.6 | K43 F47 | K43-E45 VanDerWaalsContact C-N 3.34Å; K43-E45 WeakPolarHBondContact O-CA 3.43Å; K43-E45 PolarHBondContact O-N 3.49Å; E45-F47 PolarHBondContact O-N 3.08Å | ||
| 46 | S | 43.8 | Very low | 56.3 | Low | 81 Ų | 81 | 112.3 Ų | 112.3 | 57% | 0.566 | 62% | 0.617 | S | S | * | * | trans | -47.3 | 110.1 | -171.1 | -66.2 | 0 | 0 | 0 | 0 | 105.1 | I44 S48 | I44-S46 VanDerWaalsContact C-N 3.32Å; I44-S46 WeakPolarHBondContact O-CA 3.35Å; I44-S46 PolarHBondContact O-N 3.22Å; S46-S48 VanDerWaalsContact C-N 3.33Å; S46-S48 PolarHBondContact O-N 2.89Å | ||
| 47 | F | 47.2 | Very low | 57.8 | Low | 162 Ų | 162 | 119.3 Ų | 119.3 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | trans | -48.2 | 107.5 | -176.9 | -104.1 | -98.9 | 0 | 0 | 0 | 104.8 | I44 E45 G49 | I44-F47 HydrophobicContact CG2-CD2 4.39Å; E45-F47 PolarHBondContact O-N 3.08Å; F47-G49 PolarHBondContact O-N 3.04Å; F47-G49 VanDerWaalsContact O-O 3.1Å | ||
| 48 | S | 50.1 | Low | 59.3 | Low | 131 Ų | 131 | 116.7 Ų | 116.7 | 92% | 0.916 | 61% | 0.614 | S | S | * | * | trans | -81.1 | 4.5 | -174.6 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | S46 | S46-S48 VanDerWaalsContact C-N 3.33Å; S46-S48 PolarHBondContact O-N 2.89Å | ||
| 49 | G | 55.7 | Low | 61.1 | Low | 47 Ų | 47 | 113.1 Ų | 113.1 | 49% | 0.485 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -81.2 | 146.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | F47 L51 | F47-G49 PolarHBondContact O-N 3.04Å; F47-G49 VanDerWaalsContact O-O 3.1Å; G49-L51 PolarHBondContact O-N 3.41Å |
| 50 | E | 62.1 | Low | 62.8 | Low | 199 Ų | 199 | 112.9 Ų | 112.9 | 93% | 0.93 | 58% | 0.583 | S | S | * | * | trans | -50.5 | 110.1 | 166.7 | -69.3 | 176.9 | 160.3 | 0 | 0 | 107.9 | Y52 | E50-Y52 PolarHBondContact O-N 3.13Š| ||
| 51 | L | 67.7 | Low | 64.6 | Low | 111 Ų | 111 | 112.7 Ų | 112.7 | 58% | 0.581 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 128.3 | 170.7 | -86.6 | 156.4 | 0 | 0 | 0 | 106.8 | G49 Q53 | G49-L51 PolarHBondContact O-N 3.41Å; L51-Q53 PolarHBondContact O-N 2.6Å; L51-Q53 VanDerWaalsContact O-N 3.08Å |
| 52 | Y | 71.9 | Confident | 66.1 | Low | 111 Ų | 111 | 108.7 Ų | 108.7 | 44% | 0.435 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 122 | 177.3 | -178.4 | -89.5 | 0 | 0 | 0 | 108.9 | E50 W80 E128 Y132 | E50-Y52 PolarHBondContact O-N 3.13Å; Y52-W80 HydrophobicContact CD1-CZ2 4.38Å; Y52-W80 VanDerWaalsContact O-CH2 3.23Å; Y52-W80 WeakPolarHBondContact O-CH2 3.46Å; Y52-W80 WeakPolarHBondContact O-CZ2 3.47Å; Y52-E128 HydrophobicContact CE1-CG 4.15Å; Y52-E128 VanDerWaalsContact CE1-OE1 3.29Å; Y52-E128 WeakPolarHBondContact CE1-OE1 3.12Å; Y52-E128 VanDerWaalsContact CZ-OE1 3.27Å; Y52-E128 WeakPolarHBondContact OH-CG 3.35Å; Y52-E128 PolarHBondContact OH-OE1 3.35Å; Y52-Y132 HydrophobicContact CE2-CD2 4.11Å; Y52-Y132 HydrophobicContact CE2-CE2 4.42Å |
| 53 | Q | 79.1 | Confident | 67.6 | Low | 168 Ų | 168 | 106.2 Ų | 106.2 | 79% | 0.785 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -100.3 | 129 | 174.3 | -70.1 | -168.1 | -9.3 | 0 | 0 | 108.8 | L51 | L51-Q53 PolarHBondContact O-N 2.6Å; L51-Q53 VanDerWaalsContact O-N 3.08Å |
| 54 | S | 81.1 | Confident | 68.8 | Low | 12 Ų | 12 | 99.5 Ų | 99.5 | 8% | 0.084 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 144.5 | 173.9 | -178 | 0 | 0 | 0 | 0 | 110.6 | N56 H124 E128 | S54-N56 PolarHBondContact O-N 3.08Å; S54-N56 PolarHBondContact OG-N 3.26Å; S54-N56 VanDerWaalsContact OG-N 3.16Å; S54-H124 PolarHBondContact OG-CE1 3.39Å; S54-H124 VanDerWaalsContact OG-CE1 3.26Å; S54-E128 WeakPolarHBondContact CA-OE1 3.49Å; S54-E128 WeakPolarHBondContact CB-OE2 3.18Å; S54-E128 PolarHBondContact OG-OE2 3.18Å |
| 55 | S | 84.4 | Confident | 69.3 | Low | 88 Ų | 88 | 99 Ų | 99 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -62 | -20.6 | 168.8 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | R57 H124 E128 | S55-R57 PolarHBondContact O-N 3.22Å; S55-H124 PolarHBondContact OG-CE1 3.32Å; S55-H124 PolarHBondContact OG-NE2 3.16Å; S55-H124 VanDerWaalsContact OG-NE2 3.07Å; S55-E128 PolarHBondContact N-OE1 2.69Å; S55-E128 PolarHBondContact OG-OE1 3.22Å |
| 56 | N | 83.6 | Confident | 70.2 | Confident | 37 Ų | 37 | 95.5 Ų | 95.5 | 20% | 0.198 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -85.2 | 107.6 | 170.4 | -176 | -7.6 | 0 | 0 | 0 | 110.1 | S54 N58 L59 H124 | S54-N56 PolarHBondContact O-N 3.08Å; S54-N56 PolarHBondContact OG-N 3.26Å; S54-N56 VanDerWaalsContact OG-N 3.16Å; N56-N58 PolarHBondContact O-N 3.01Å; N56-N58 VanDerWaalsContact O-N 3.13Å; N56-N58 WeakPolarHBondContact OD1-CB 3.02Å; N56-N58 PolarHBondContact OD1-N 3.48Å; N56-L59 HydrophobicContact CB-CB 4.41Å; N56-L59 HydrophobicContact CB-CD1 3.98Å; N56-L59 HydrophobicContact CB-CG 4.18Å; N56-L59 PolarHBondContact O-N 3.13Å; N56-H124 WeakPolarHBondContact CB-CE1 3.35Å; N56-H124 PolarHBondContact N-CE1 2.82Å; N56-H124 VanDerWaalsContact N-CE1 3.32Å |
| 57 | R | 83 | Confident | 70.8 | Confident | 234 Ų | 234 | 97.6 Ų | 97.6 | 88% | 0.883 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.1 | -179.3 | -64.1 | -174.1 | -178.8 | -174.7 | -0.2 | 114.6 | S55 L59 | S55-R57 PolarHBondContact O-N 3.22Å; R57-L59 VanDerWaalsContact C-N 3.34Å |
| 58 | N | 82.6 | Confident | 71.2 | Confident | 104 Ų | 104 | 94.5 Ų | 94.5 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -18 | 177.2 | -59.5 | -18.9 | 0 | 0 | 0 | 111.7 | N56 M82 | N56-N58 PolarHBondContact O-N 3.01Å; N56-N58 VanDerWaalsContact O-N 3.13Å; N56-N58 WeakPolarHBondContact OD1-CB 3.02Å; N56-N58 PolarHBondContact OD1-N 3.48Å; N58-M82 HydrophobicContact CB-CG 4.34Å; N58-M82 HydrophobicContact CB-SD 4.23Å; N58-M82 VanDerWaalsContact O-CA 3.31Å; N58-M82 WeakPolarHBondContact O-CA 3.45Å |
| 59 | L | 82 | Confident | 71.3 | Confident | 16 Ų | 16 | 99.3 Ų | 99.3 | 8% | 0.084 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 122.3 | 176.4 | -71.3 | 175.5 | 0 | 0 | 0 | 109.5 | N56 R57 W80 M82 L125 | N56-L59 HydrophobicContact CB-CB 4.41Å; N56-L59 HydrophobicContact CB-CD1 3.98Å; N56-L59 HydrophobicContact CB-CG 4.18Å; N56-L59 PolarHBondContact O-N 3.13Å; R57-L59 VanDerWaalsContact C-N 3.34Å; L59-W80 HydrophobicContact CB-CE3 4.02Å; L59-W80 WeakPolarHBondContact O-CZ3 3.27Å; L59-M82 HydrophobicContact CD2-CG 4.11Å; L59-L125 HydrophobicContact CD1-CD1 4.08Å; L59-L125 HydrophobicContact CD1-CD2 3.84Å; L59-L125 HydrophobicContact CD1-CG 3.72Å |
| 60 | V | 80 | Confident | 71.2 | Confident | 58 Ų | 58 | 101.8 Ų | 101.8 | 35% | 0.352 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.3 | 179.8 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | H62 W80 S81 | V60-H62 VanDerWaalsContact CB-NE2 3.27Å; V60-H62 WeakPolarHBondContact CB-NE2 3.29Å; V60-H62 WeakPolarHBondContact CG1-CE1 3.19Å; V60-H62 WeakPolarHBondContact CG1-NE2 3.44Å; V60-H62 PolarHBondContact O-CD2 2.9Å; V60-H62 VanDerWaalsContact O-CD2 3.31Å; V60-H62 PolarHBondContact O-N 2.76Å; V60-W80 VanDerWaalsContact C-CE3 3.44Å; V60-S81 PolarHBondContact N-O 3.32Å; V60-S81 PolarHBondContact O-N 3.31Å; V60-S81 VanDerWaalsContact O-N 3.15Å |
| 61 | W | 80.1 | Confident | 71 | Confident | 93 Ų | 93 | 94.6 Ų | 94.6 | 35% | 0.352 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 104.8 | 176.3 | -170.1 | -116.2 | 0 | 0 | 0 | 108.6 | W78 S79 W80 | W61-W78 AromaticContact CD1-CE3 3.43Å; W61-W78 VanDerWaalsContact CD1-CE3 3.43Å; W61-W78 HydrophobicContact CD2-CB 4.31Å; W61-W78 VanDerWaalsContact CE2-CB 3.45Å; W61-W78 HydrophobicContact CG-CE3 4.25Å; W61-W78 HydrophobicContact CH2-CB 3.93Å; W61-W78 WeakPolarHBondContact CH2-O 3.24Å; W61-W78 HydrophobicContact CZ2-CB 3.25Å; W61-W78 HydrophobicContact CZ2-CG 4.24Å; W61-W78 AromaticContact NE1-CD2 3.72Å; W61-W78 AromaticContact NE1-CE3 3.42Å; W61-W78 AromaticContact NE1-CG 3.84Å; W61-S79 VanDerWaalsContact CZ3-C 3.45Å; W61-W80 HydrophobicContact CB-CD2 4.39Å; W61-W80 HydrophobicContact CB-CE3 4.18Å; W61-W80 HydrophobicContact CB-CH2 3.89Å; W61-W80 HydrophobicContact CB-CZ2 4.11Å; W61-W80 HydrophobicContact CB-CZ3 3.94Å; W61-W80 HydrophobicContact CD2-CD2 4.48Å; W61-W80 HydrophobicContact CD2-CZ2 4.46Å; W61-W80 HydrophobicContact CE3-CB 4.26Å; W61-W80 AromaticContact CE3-CD1 3.33Å; W61-W80 AromaticContact CE3-CD2 3.59Å; W61-W80 HydrophobicContact CE3-CD2 3.59Å; W61-W80 AromaticContact CE3-CE2 3.46Å; W61-W80 VanDerWaalsContact CE3-CE2 3.46Å; W61-W80 HydrophobicContact CE3-CE3 4.42Å; W61-W80 AromaticContact CE3-CG 3.48Å; W61-W80 HydrophobicContact CE3-CG 3.48Å; W61-W80 VanDerWaalsContact CE3-CG 3.48Å; W61-W80 HydrophobicContact CE3-CZ2 4.19Å; W61-W80 AromaticContact CE3-NE1 3.28Å; W61-W80 VanDerWaalsContact CE3-NE1 3.28Å; W61-W80 HydrophobicContact CZ3-CB 4.42Å; W61-W80 AromaticContact CZ3-CD1 3.21Å; W61-W80 HydrophobicContact CZ3-CD2 4.28Å; W61-W80 AromaticContact CZ3-CG 3.75Å; W61-W80 HydrophobicContact CZ3-CG 3.75Å; W61-W80 AromaticContact CZ3-NE1 3.41Å |
| 62 | H | 76.3 | Confident | 70.4 | Confident | 64 Ų | 64 | 94 Ų | 94 | 30% | 0.296 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 149.6 | -177.8 | -64.3 | -68.3 | 0 | 0 | 0 | 110.7 | V60 G64 W78 S79 S81 | V60-H62 VanDerWaalsContact CB-NE2 3.27Å; V60-H62 WeakPolarHBondContact CB-NE2 3.29Å; V60-H62 WeakPolarHBondContact CG1-CE1 3.19Å; V60-H62 WeakPolarHBondContact CG1-NE2 3.44Å; V60-H62 PolarHBondContact O-CD2 2.9Å; V60-H62 VanDerWaalsContact O-CD2 3.31Å; V60-H62 PolarHBondContact O-N 2.76Å; H62-G64 PolarHBondContact O-N 3.26Å; H62-W78 VanDerWaalsContact C-CE3 3.48Å; H62-W78 CarbonylContact O-C 3.56Å; H62-W78 VanDerWaalsContact O-CA 3.31Å; H62-W78 WeakPolarHBondContact O-CA 3.11Å; H62-S79 PolarHBondContact N-O 2.91Å; H62-S79 PolarHBondContact O-N 3.29Å; H62-S81 PolarHBondContact CD2-OG 3.03Å |
| 63 | E | 74.5 | Confident | 70.1 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 127.1 | 162.3 | -170.7 | 174.9 | -176.7 | 0 | 0 | 107.6 | Y76 W78 | E63-Y76 WeakPolarHBondContact OE1-CD1 3.23Å; E63-Y76 WeakPolarHBondContact OE1-CE1 3.25Å; E63-W78 HydrophobicContact CB-CD2 4.47Å; E63-W78 HydrophobicContact CB-CE3 4.36Å; E63-W78 HydrophobicContact CB-CH2 4.31Å; E63-W78 HydrophobicContact CB-CZ2 4.41Å; E63-W78 HydrophobicContact CB-CZ3 4.28Å |
| 64 | G | 68.7 | Low | 69.2 | Low | 18 Ų | 18 | 84.3 Ų | 84.3 | 19% | 0.186 | 45% | 0.452 | C | S | . | . | trans | -63.9 | 142.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H62 D66 T77 | H62-G64 PolarHBondContact O-N 3.26Å; G64-D66 VanDerWaalsContact C-N 3.29Å; G64-D66 PolarHBondContact O-N 2.75Å; G64-D66 VanDerWaalsContact O-N 3.1Å; G64-T77 PolarHBondContact N-O 3.5Å | ||
| 65 | C | 60 | Low | 68.5 | Low | 88 Ų | 88 | 86.8 Ų | 86.8 | 60% | 0.595 | 47% | 0.465 | S | S | * | . | trans | -80.2 | 84.5 | 165.7 | -61.5 | 0 | 0 | 0 | 0 | 107.5 | C86 | C65-C86 VanDerWaalsContact CB-SG 3.54Š| ||
| 66 | D | 60.6 | Low | 67.7 | Low | 80 Ų | 80 | 90.1 Ų | 90.1 | 43% | 0.428 | 47% | 0.465 | S | S | . | . | trans | -88.6 | 96.1 | 156.6 | -160.1 | -7.9 | 0 | 0 | 0 | 106.8 | G64 D68 T71 | G64-D66 VanDerWaalsContact C-N 3.29Å; G64-D66 PolarHBondContact O-N 2.75Å; G64-D66 VanDerWaalsContact O-N 3.1Å; D66-D68 PolarHBondContact O-N 3.18Å; D66-D68 PolarHBondContact OD1-N 2.96Å; D66-T71 WeakPolarHBondContact OD2-CG2 3.42Å | ||
| 67 | D | 56.4 | Low | 67.1 | Low | 126 Ų | 126 | 91.4 Ų | 91.4 | 67% | 0.674 | 47% | 0.474 | S | S | * | . | trans | -58.7 | -23.8 | 178.4 | -46.1 | 14.1 | 0 | 0 | 0 | 111 | Y69 | D67-Y69 PolarHBondContact O-N 3.06Š| ||
| 68 | D | 55.5 | Low | 66.8 | Low | 97 Ų | 97 | 85.8 Ų | 85.8 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | trans | -84.7 | 100.3 | 176.3 | -90 | -17.2 | 0 | 0 | 0 | 109.1 | D66 T70 | D66-D68 PolarHBondContact O-N 3.18Å; D66-D68 PolarHBondContact OD1-N 2.96Å; D68-T70 HydrophobicContact CB-CG2 3.98Å; D68-T70 WeakPolarHBondContact CB-OG1 3.46Å; D68-T70 PolarHBondContact O-N 3.05Å | ||
| 69 | Y | 53 | Low | 66.5 | Low | 231 Ų | 231 | 82.8 Ų | 82.8 | 91% | 0.906 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 18.1 | 158.4 | -63.5 | -88.6 | 0 | 0 | 0 | 113.5 | D67 | D67-Y69 PolarHBondContact O-N 3.06Š|
| 70 | T | 53.1 | Low | 66.4 | Low | 100 Ų | 100 | 85.5 Ų | 85.5 | 61% | 0.613 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -2.8 | -174.4 | 77.6 | 0 | 0 | 0 | 0 | 113.4 | D68 A72 | D68-T70 HydrophobicContact CB-CG2 3.98Å; D68-T70 WeakPolarHBondContact CB-OG1 3.46Å; D68-T70 PolarHBondContact O-N 3.05Å; T70-A72 PolarHBondContact O-N 3.44Å |
| 71 | T | 56.9 | Low | 66.3 | Low | 48 Ų | 48 | 83.5 Ų | 83.5 | 29% | 0.294 | 44% | 0.438 | S | S | . | . | trans | -56.4 | 108.6 | 167 | 47.5 | 0 | 0 | 0 | 0 | 108.5 | D66 D73 G74 | D66-T71 WeakPolarHBondContact OD2-CG2 3.42Å; T71-D73 WeakPolarHBondContact CB-OD1 3.22Å; T71-D73 PolarHBondContact O-N 3.14Å; T71-G74 PolarHBondContact O-N 3.08Å | ||
| 72 | A | 56.6 | Low | 66.1 | Low | 97 Ų | 97 | 82.8 Ų | 82.8 | 80% | 0.802 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T70 | T70-A72 PolarHBondContact O-N 3.44Š|
| 73 | D | 64.2 | Low | 65.7 | Low | 41 Ų | 41 | 88.1 Ų | 88.1 | 22% | 0.219 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -23.8 | 176.6 | 40.7 | 28.4 | 0 | 0 | 0 | 113.5 | K26 T71 D75 | K26-D73 WeakPolarHBondContact CE-O 3.38Å; K26-D73 PolarHBondContact NZ-O 3.08Å; T71-D73 WeakPolarHBondContact CB-OD1 3.22Å; T71-D73 PolarHBondContact O-N 3.14Å; D73-D75 VanDerWaalsContact C-N 3.32Å; D73-D75 WeakPolarHBondContact OD1-CB 3.39Å; D73-D75 PolarHBondContact OD1-N 3.37Å |
| 74 | G | 61.2 | Low | 65.2 | Low | 35 Ų | 35 | 87.1 Ų | 87.1 | 36% | 0.361 | 48% | 0.482 | S | S | . | . | trans | 71.1 | 30.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T71 | T71-G74 PolarHBondContact O-N 3.08Š| ||
| 75 | D | 65.7 | Low | 64.9 | Low | 65 Ų | 65 | 92.2 Ų | 92.2 | 35% | 0.348 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -74 | 133.3 | 176.7 | -72.3 | -2.2 | 0 | 0 | 0 | 109.7 | R28 D73 | R28-D75 WeakPolarHBondContact CD-OD2 3.05Å; D73-D75 VanDerWaalsContact C-N 3.32Å; D73-D75 WeakPolarHBondContact OD1-CB 3.39Å; D73-D75 PolarHBondContact OD1-N 3.37Å |
| 76 | Y | 67.7 | Low | 64.9 | Low | 158 Ų | 158 | 90.9 Ų | 90.9 | 62% | 0.62 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 122.4 | 172.8 | -62 | -71.6 | 0 | 0 | 0 | 109.4 | E63 | E63-Y76 WeakPolarHBondContact OE1-CD1 3.23Å; E63-Y76 WeakPolarHBondContact OE1-CE1 3.25Å |
| 77 | T | 71 | Confident | 64.9 | Low | 64 Ų | 64 | 91.1 Ų | 91.1 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -81 | 152.5 | 170.6 | 59.3 | 0 | 0 | 0 | 0 | 109.5 | G64 | G64-T77 PolarHBondContact N-O 3.5Š|
| 78 | W | 76.1 | Confident | 65 | Low | 116 Ų | 116 | 90.5 Ų | 90.5 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 141.9 | 176.9 | -68.1 | 76.7 | 0 | 0 | 0 | 109.1 | W61 H62 E63 | W61-W78 AromaticContact CD1-CE3 3.43Å; W61-W78 VanDerWaalsContact CD1-CE3 3.43Å; W61-W78 HydrophobicContact CD2-CB 4.31Å; W61-W78 VanDerWaalsContact CE2-CB 3.45Å; W61-W78 HydrophobicContact CG-CE3 4.25Å; W61-W78 HydrophobicContact CH2-CB 3.93Å; W61-W78 WeakPolarHBondContact CH2-O 3.24Å; W61-W78 HydrophobicContact CZ2-CB 3.25Å; W61-W78 HydrophobicContact CZ2-CG 4.24Å; W61-W78 AromaticContact NE1-CD2 3.72Å; W61-W78 AromaticContact NE1-CE3 3.42Å; W61-W78 AromaticContact NE1-CG 3.84Å; H62-W78 VanDerWaalsContact C-CE3 3.48Å; H62-W78 CarbonylContact O-C 3.56Å; H62-W78 VanDerWaalsContact O-CA 3.31Å; H62-W78 WeakPolarHBondContact O-CA 3.11Å; E63-W78 HydrophobicContact CB-CD2 4.47Å; E63-W78 HydrophobicContact CB-CE3 4.36Å; E63-W78 HydrophobicContact CB-CH2 4.31Å; E63-W78 HydrophobicContact CB-CZ2 4.41Å; E63-W78 HydrophobicContact CB-CZ3 4.28Å |
| 79 | S | 77.6 | Confident | 65.3 | Low | 41 Ų | 41 | 91.1 Ų | 91.1 | 29% | 0.287 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 148.3 | -176.4 | 55 | 0 | 0 | 0 | 0 | 112 | W61 H62 | W61-S79 VanDerWaalsContact CZ3-C 3.45Å; H62-S79 PolarHBondContact N-O 2.91Å; H62-S79 PolarHBondContact O-N 3.29Å |
| 80 | W | 79.4 | Confident | 65.6 | Low | 72 Ų | 72 | 82.6 Ų | 82.6 | 27% | 0.273 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 122.4 | 166.3 | -73 | 105.6 | 0 | 0 | 0 | 108.9 | Y52 L59 V60 W61 L125 | Y52-W80 HydrophobicContact CD1-CZ2 4.38Å; Y52-W80 VanDerWaalsContact O-CH2 3.23Å; Y52-W80 WeakPolarHBondContact O-CH2 3.46Å; Y52-W80 WeakPolarHBondContact O-CZ2 3.47Å; L59-W80 HydrophobicContact CB-CE3 4.02Å; L59-W80 WeakPolarHBondContact O-CZ3 3.27Å; V60-W80 VanDerWaalsContact C-CE3 3.44Å; W61-W80 HydrophobicContact CB-CD2 4.39Å; W61-W80 HydrophobicContact CB-CE3 4.18Å; W61-W80 HydrophobicContact CB-CH2 3.89Å; W61-W80 HydrophobicContact CB-CZ2 4.11Å; W61-W80 HydrophobicContact CB-CZ3 3.94Å; W61-W80 HydrophobicContact CD2-CD2 4.48Å; W61-W80 HydrophobicContact CD2-CZ2 4.46Å; W61-W80 HydrophobicContact CE3-CB 4.26Å; W61-W80 AromaticContact CE3-CD1 3.33Å; W61-W80 AromaticContact CE3-CD2 3.59Å; W61-W80 HydrophobicContact CE3-CD2 3.59Å; W61-W80 AromaticContact CE3-CE2 3.46Å; W61-W80 VanDerWaalsContact CE3-CE2 3.46Å; W61-W80 HydrophobicContact CE3-CE3 4.42Å; W61-W80 AromaticContact CE3-CG 3.48Å; W61-W80 HydrophobicContact CE3-CG 3.48Å; W61-W80 VanDerWaalsContact CE3-CG 3.48Å; W61-W80 HydrophobicContact CE3-CZ2 4.19Å; W61-W80 AromaticContact CE3-NE1 3.28Å; W61-W80 VanDerWaalsContact CE3-NE1 3.28Å; W61-W80 HydrophobicContact CZ3-CB 4.42Å; W61-W80 AromaticContact CZ3-CD1 3.21Å; W61-W80 HydrophobicContact CZ3-CD2 4.28Å; W61-W80 AromaticContact CZ3-CG 3.75Å; W61-W80 HydrophobicContact CZ3-CG 3.75Å; W61-W80 AromaticContact CZ3-NE1 3.41Å; W80-L125 HydrophobicContact CB-CD1 3.7Å; W80-L125 HydrophobicContact CD2-CD2 4.48Å; W80-L125 HydrophobicContact CG-CD1 3.88Å; W80-L125 HydrophobicContact CG-CD2 4.37Å |
| 81 | S | 77.6 | Confident | 66.1 | Low | 17 Ų | 17 | 83.6 Ų | 83.6 | 12% | 0.119 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 166.5 | 170.6 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | V60 H62 E85 | V60-S81 PolarHBondContact N-O 3.32Å; V60-S81 PolarHBondContact O-N 3.31Å; V60-S81 VanDerWaalsContact O-N 3.15Å; H62-S81 PolarHBondContact CD2-OG 3.03Å; S81-E85 WeakPolarHBondContact CB-O 3.39Å; S81-E85 PolarHBondContact OG-O 3.11Å |
| 82 | M | 76.3 | Confident | 66.5 | Low | 78 Ų | 78 | 85.3 Ų | 85.3 | 38% | 0.384 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 146.5 | 168.3 | -62.2 | -166.5 | -141.9 | 0 | 0 | 109.9 | N58 L59 G84 E85 | N58-M82 HydrophobicContact CB-CG 4.34Å; N58-M82 HydrophobicContact CB-SD 4.23Å; N58-M82 VanDerWaalsContact O-CA 3.31Å; N58-M82 WeakPolarHBondContact O-CA 3.45Å; L59-M82 HydrophobicContact CD2-CG 4.11Å; M82-G84 PolarHBondContact O-N 2.76Å; M82-E85 PolarHBondContact O-N 2.75Å |
| 83 | E | 67.9 | Low | 67 | Low | 175 Ų | 175 | 84.7 Ų | 84.7 | 82% | 0.818 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 115.4 | -178.9 | -170.8 | 172.4 | -156.2 | 0 | 0 | 110.7 | ||
| 84 | G | 64.2 | Low | 67.2 | Low | 83 Ų | 83 | 85.2 Ų | 85.2 | 86% | 0.856 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.9 | -7.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | M82 | M82-G84 PolarHBondContact O-N 2.76Š|
| 85 | E | 62.6 | Low | 67.5 | Low | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | trans | -102 | 99.5 | 173.4 | -69.4 | -177.2 | 173.4 | 0 | 0 | 109.6 | S81 M82 P87 | S81-E85 WeakPolarHBondContact CB-O 3.39Å; S81-E85 PolarHBondContact OG-O 3.11Å; M82-E85 PolarHBondContact O-N 2.75Å; E85-P87 WeakPolarHBondContact O-CD 3.45Å | ||
| 86 | C | 59.7 | Low | 67.7 | Low | 59 Ų | 59 | 92.3 Ų | 92.3 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | trans | -88 | 113.5 | 158.8 | -172.3 | 0 | 0 | 0 | 0 | 106.8 | C65 T88 | C65-C86 VanDerWaalsContact CB-SG 3.54Å; C86-T88 VanDerWaalsContact C-N 3.29Å; C86-T88 PolarHBondContact O-N 2.97Å | ||
| 87 | P | 60.4 | Low | 67.8 | Low | 85 Ų | 85 | 89.7 Ų | 89.7 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | trans | -69.3 | 92.6 | 177.4 | 26.8 | -31.1 | 0 | 0 | 0 | 108.7 | E85 N89 | E85-P87 WeakPolarHBondContact O-CD 3.45Å; P87-N89 PolarHBondContact O-N 3.37Å | ||
| 88 | T | 58.7 | Low | 68 | Low | 113 Ų | 113 | 92 Ų | 92 | 69% | 0.693 | 51% | 0.513 | S | S | * | . | trans | -79.1 | 53.6 | 172.1 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | C86 S90 | C86-T88 VanDerWaalsContact C-N 3.29Å; C86-T88 PolarHBondContact O-N 2.97Å; T88-S90 PolarHBondContact O-N 2.91Å | ||
| 89 | N | 60.6 | Low | 68.1 | Low | 111 Ų | 111 | 90.8 Ų | 90.8 | 59% | 0.594 | 51% | 0.514 | S | S | * | . | trans | -68.3 | 106 | 166.4 | -71.2 | -35.7 | 0 | 0 | 0 | 106.2 | P87 | P87-N89 PolarHBondContact O-N 3.37Š| ||
| 90 | S | 59.7 | Low | 68.1 | Low | 51 Ų | 51 | 91.3 Ų | 91.3 | 36% | 0.357 | 52% | 0.518 | S | S | . | . | trans | -64.2 | 147.8 | 175.1 | 75.8 | 0 | 0 | 0 | 0 | 107.8 | T88 S92 D93 L94 | T88-S90 PolarHBondContact O-N 2.91Å; S90-S92 PolarHBondContact O-N 3.09Å; S90-S92 WeakPolarHBondContact OG-CB 3.49Å; S90-D93 WeakPolarHBondContact CB-OD2 3.5Å; S90-D93 PolarHBondContact N-OD2 3.2Å; S90-D93 WeakPolarHBondContact O-CB 3.31Å; S90-D93 PolarHBondContact O-N 3.03Å; S90-D93 PolarHBondContact OG-N 3.22Å; S90-D93 PolarHBondContact OG-OD2 2.88Å; S90-L94 PolarHBondContact O-N 2.77Å | ||
| 91 | L | 63.5 | Low | 68.1 | Low | 122 Ų | 122 | 93.1 Ų | 93.1 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -55.2 | -26 | 176.7 | -164.1 | 143.7 | 0 | 0 | 0 | 111.4 | L94 K95 | L91-L94 PolarHBondContact O-N 2.95Å; L91-K95 HydrophobicContact CD2-CG 4.35Å; L91-K95 WeakPolarHBondContact O-CG 3.19Å; L91-K95 PolarHBondContact O-N 3.18Å; L91-K95 VanDerWaalsContact O-N 3.11Å |
| 92 | S | 66.1 | Low | 68.4 | Low | 83 Ų | 83 | 99.4 Ų | 99.4 | 58% | 0.58 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.2 | -37.1 | 172.3 | -51.9 | 0 | 0 | 0 | 0 | 113.5 | S90 L94 K95 | S90-S92 PolarHBondContact O-N 3.09Å; S90-S92 WeakPolarHBondContact OG-CB 3.49Å; S92-L94 VanDerWaalsContact C-N 3.32Å; S92-K95 PolarHBondContact O-N 3.43Å |
| 93 | D | 67.6 | Low | 68.7 | Low | 85 Ų | 85 | 100.2 Ų | 100.2 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.5 | -37.4 | 177.5 | -56.3 | -45.3 | 0 | 0 | 0 | 110.4 | S90 S96 | S90-D93 WeakPolarHBondContact CB-OD2 3.5Å; S90-D93 PolarHBondContact N-OD2 3.2Å; S90-D93 WeakPolarHBondContact O-CB 3.31Å; S90-D93 PolarHBondContact O-N 3.03Å; S90-D93 PolarHBondContact OG-N 3.22Å; S90-D93 PolarHBondContact OG-OD2 2.88Å; D93-S96 PolarHBondContact O-OG 3.15Å |
| 94 | L | 68.3 | Low | 69.4 | Low | 52 Ų | 52 | 96.1 Ų | 96.1 | 27% | 0.272 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.7 | -27.6 | 177.4 | -64.6 | 175.4 | 0 | 0 | 0 | 113.5 | S90 L91 S92 S96 L97 I98 F120 | S90-L94 PolarHBondContact O-N 2.77Å; L91-L94 PolarHBondContact O-N 2.95Å; S92-L94 VanDerWaalsContact C-N 3.32Å; L94-S96 PolarHBondContact O-N 2.87Å; L94-S96 VanDerWaalsContact O-N 3.09Å; L94-L97 HydrophobicContact CD2-CD1 4.43Å; L94-L97 WeakPolarHBondContact O-CA 3.31Å; L94-L97 PolarHBondContact O-N 3.38Å; L94-I98 HydrophobicContact CB-CD1 3.86Å; L94-I98 HydrophobicContact CB-CG1 4.41Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 2.94Å; L94-F120 HydrophobicContact CD2-CE1 4.49Å |
| 95 | K | 66.7 | Low | 70.1 | Confident | 144 Ų | 144 | 98.5 Ų | 98.5 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -26 | 178.7 | -79 | 178.7 | -174.6 | 179.7 | 0 | 113.2 | L91 S92 L97 | L91-K95 HydrophobicContact CD2-CG 4.35Å; L91-K95 WeakPolarHBondContact O-CG 3.19Å; L91-K95 PolarHBondContact O-N 3.18Å; L91-K95 VanDerWaalsContact O-N 3.11Å; S92-K95 PolarHBondContact O-N 3.43Å; K95-L97 VanDerWaalsContact C-N 3.34Å |
| 96 | S | 69.8 | Low | 71 | Confident | 105 Ų | 105 | 94.6 Ų | 94.6 | 73% | 0.734 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -19.6 | 175.5 | 70.4 | 0 | 0 | 0 | 0 | 113.7 | D93 L94 | D93-S96 PolarHBondContact O-OG 3.15Å; L94-S96 PolarHBondContact O-N 2.87Å; L94-S96 VanDerWaalsContact O-N 3.09Å |
| 97 | L | 70 | Confident | 71.9 | Confident | 103 Ų | 103 | 98.9 Ų | 98.9 | 54% | 0.539 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.5 | -24.5 | -176.7 | -64.8 | 170.2 | 0 | 0 | 0 | 112.6 | L94 K95 I99 F120 | L94-L97 HydrophobicContact CD2-CD1 4.43Å; L94-L97 WeakPolarHBondContact O-CA 3.31Å; L94-L97 PolarHBondContact O-N 3.38Å; K95-L97 VanDerWaalsContact C-N 3.34Å; L97-I99 PolarHBondContact O-N 3.06Å; L97-F120 HydrophobicContact CB-CZ 4.43Å; L97-F120 HydrophobicContact CD1-CE1 4.28Å |
| 98 | I | 75.2 | Confident | 72.9 | Confident | 112 Ų | 112 | 97.3 Ų | 97.3 | 57% | 0.574 | 56% | 0.558 | S | S | * | * | trans | -83.5 | 107.1 | -179.9 | -62.2 | 165.7 | 0 | 0 | 0 | 109 | L94 | L94-I98 HydrophobicContact CB-CD1 3.86Å; L94-I98 HydrophobicContact CB-CG1 4.41Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 2.94Å | ||
| 99 | I | 77.6 | Confident | 74.2 | Confident | 90 Ų | 90 | 97.4 Ų | 97.4 | 46% | 0.462 | 56% | 0.56 | S | S | . | * | trans | -76.5 | 136.4 | 170.3 | -53.8 | 173.7 | 0 | 0 | 0 | 108 | L97 E103 E105 A106 | L97-I99 PolarHBondContact O-N 3.06Å; I99-E103 HydrophobicContact CG2-CB 3.98Å; I99-E105 HydrophobicContact CD1-CB 4.26Å; I99-E105 HydrophobicContact CG2-CB 4.3Å; I99-A106 HydrophobicContact CG2-CB 3.96Å | ||
| 100 | S | 78.9 | Confident | 75.5 | Confident | 53 Ų | 53 | 97.4 Ų | 97.4 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | trans | -63.3 | 137.5 | 173.6 | 168.1 | 0 | 0 | 0 | 0 | 109.7 | D102 E103 A106 | S100-D102 PolarHBondContact O-N 2.96Å; S100-E103 PolarHBondContact O-N 3.42Å; S100-A106 WeakPolarHBondContact O-CB 3.25Å | ||
| 101 | P | 79 | Confident | 76.8 | Confident | 109 Ų | 109 | 100 Ų | 100 | 71% | 0.708 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -17.6 | -177.8 | 27.1 | -36.2 | 0 | 0 | 0 | 113.6 | ||
| 102 | D | 83.2 | Confident | 78 | Confident | 149 Ų | 149 | 103 Ų | 103 | 80% | 0.797 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -9.9 | 179.8 | -60.4 | -41.8 | 0 | 0 | 0 | 113.4 | S100 | S100-D102 PolarHBondContact O-N 2.96Š|
| 103 | E | 83.8 | Confident | 79.2 | Confident | 96 Ų | 96 | 105.1 Ų | 105.1 | 45% | 0.449 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -81.8 | 143.4 | -178.8 | -65.5 | -68.8 | 166.3 | 0 | 0 | 110.9 | I99 S100 E105 A106 | I99-E103 HydrophobicContact CG2-CB 3.98Å; S100-E103 PolarHBondContact O-N 3.42Å; E103-E105 PolarHBondContact O-N 2.92Å; E103-A106 VanDerWaalsContact O-CB 3.25Å; E103-A106 WeakPolarHBondContact O-CB 3.45Å; E103-A106 PolarHBondContact O-N 2.74Å |
| 104 | P | 81.5 | Confident | 80.2 | Confident | 89 Ų | 89 | 105.9 Ų | 105.9 | 58% | 0.578 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -62 | -26.9 | -178.9 | 26.6 | -34.2 | 0 | 0 | 0 | 112.6 | A106 L107 | P104-A106 PolarHBondContact O-N 3.49Å; P104-L107 PolarHBondContact O-N 3.41Å; P104-L107 VanDerWaalsContact O-N 3.12Å |
| 105 | E | 79.7 | Confident | 81.3 | Confident | 133 Ų | 133 | 107.1 Ų | 107.1 | 62% | 0.621 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -68.8 | -17.1 | 174.9 | -59 | 92.3 | -178.6 | 0 | 0 | 113.5 | I99 E103 L107 | I99-E105 HydrophobicContact CD1-CB 4.26Å; I99-E105 HydrophobicContact CG2-CB 4.3Å; E103-E105 PolarHBondContact O-N 2.92Å; E105-L107 PolarHBondContact O-N 2.74Å |
| 106 | A | 81.5 | Confident | 82.3 | Confident | 42 Ų | 42 | 105.4 Ų | 105.4 | 35% | 0.347 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -72.3 | -21.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I99 S100 E103 P104 G108 | I99-A106 HydrophobicContact CG2-CB 3.96Å; S100-A106 WeakPolarHBondContact O-CB 3.25Å; E103-A106 VanDerWaalsContact O-CB 3.25Å; E103-A106 WeakPolarHBondContact O-CB 3.45Å; E103-A106 PolarHBondContact O-N 2.74Å; P104-A106 PolarHBondContact O-N 3.49Å; A106-G108 PolarHBondContact O-N 3.48Å |
| 107 | L | 78.6 | Confident | 83.2 | Confident | 149 Ų | 149 | 104.4 Ų | 104.4 | 78% | 0.78 | 58% | 0.579 | S | S | * | * | trans | -90.7 | 76.3 | 175.2 | -61.6 | 178.4 | 0 | 0 | 0 | 109.9 | P104 E105 | P104-L107 PolarHBondContact O-N 3.41Å; P104-L107 VanDerWaalsContact O-N 3.12Å; E105-L107 PolarHBondContact O-N 2.74Å | ||
| 108 | G | 81.4 | Confident | 84.1 | Confident | 53 Ų | 53 | 103.3 Ų | 103.3 | 55% | 0.546 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -75.5 | 167.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A106 | A106-G108 PolarHBondContact O-N 3.48Š|
| 109 | P | 85.5 | Confident | 84.5 | Confident | 114 Ų | 114 | 106.1 Ų | 106.1 | 74% | 0.74 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 156.4 | 166.4 | 29.3 | -34.7 | 0 | 0 | 0 | 110.3 | I111 | P109-I111 PolarHBondContact O-N 3.4Š|
| 110 | P | 87 | Confident | 84.5 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 72% | 0.721 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 134.6 | 174 | -24 | 33.7 | 0 | 0 | 0 | 111.5 | E112 | P110-E112 PolarHBondContact O-N 3.11Š|
| 111 | I | 87.5 | Confident | 84.6 | Confident | 107 Ų | 107 | 109 Ų | 109 | 55% | 0.549 | 59% | 0.591 | S | S | . | * | trans | -82.3 | 113 | 172.2 | -59.3 | 172.3 | 0 | 0 | 0 | 107.5 | P109 E113 L114 E117 | P109-I111 PolarHBondContact O-N 3.4Å; I111-E113 WeakPolarHBondContact CG2-O 3.44Å; I111-L114 HydrophobicContact CG2-CD2 4.46Å; I111-E117 HydrophobicContact CG2-CG 4.22Å | ||
| 112 | E | 90.1 | Very high | 84.9 | Confident | 184 Ų | 184 | 106.2 Ų | 106.2 | 86% | 0.86 | 57% | 0.573 | S | S | * | * | trans | -95.1 | -23.1 | -179.1 | -62.3 | -173.1 | 171.6 | 0 | 0 | 112.8 | P110 | P110-E112 PolarHBondContact O-N 3.11Š| ||
| 113 | E | 89.8 | Confident | 85.1 | Confident | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 55% | 0.551 | S | S | * | * | trans | -124.6 | 123.4 | -178.1 | -65 | -178.2 | 177.5 | 0 | 0 | 110.2 | I111 | I111-E113 WeakPolarHBondContact CG2-O 3.44Š| ||
| 114 | L | 90.2 | Very high | 85.3 | Confident | 100 Ų | 100 | 99.9 Ų | 99.9 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | trans | -90.7 | -13.2 | -179.9 | -72.5 | 174.6 | 0 | 0 | 0 | 113.3 | I111 N116 E117 V126 L130 | I111-L114 HydrophobicContact CG2-CD2 4.46Å; L114-N116 PolarHBondContact O-N 2.89Å; L114-E117 HydrophobicContact CD2-CG 4.29Å; L114-E117 PolarHBondContact O-N 3.38Å; L114-E117 VanDerWaalsContact O-N 3.15Å; L114-V126 WeakPolarHBondContact O-CG1 3.21Å; L114-L130 HydrophobicContact CB-CD1 4.16Å; L114-L130 HydrophobicContact CB-CD2 4.17Å; L114-L130 HydrophobicContact CD1-CD2 4.29Å | ||
| 115 | D | 89.8 | Confident | 85.6 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21 | -173.3 | -62 | -84.2 | 0 | 0 | 0 | 113.7 | I123 L130 | D115-I123 WeakPolarHBondContact O-CD1 3.45Å; D115-L130 HydrophobicContact CB-CD1 4.41Å; D115-L130 VanDerWaalsContact OD1-CD1 3.32Å; D115-L130 WeakPolarHBondContact OD1-CD1 3.46Å |
| 116 | N | 88.4 | Confident | 86.1 | Confident | 108 Ų | 108 | 91.3 Ų | 91.3 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 6.5 | -176.4 | -56.1 | -53.3 | 0 | 0 | 0 | 113.6 | L114 D118 | L114-N116 PolarHBondContact O-N 2.89Å; N116-D118 VanDerWaalsContact C-N 3.32Å; N116-D118 PolarHBondContact O-N 3.39Å; N116-D118 VanDerWaalsContact O-N 3.08Å |
| 117 | E | 89.2 | Confident | 86.5 | Confident | 84 Ų | 84 | 93.7 Ų | 93.7 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | trans | -87.1 | 67.4 | -177.5 | -66.9 | -60.3 | 150 | 0 | 0 | 111.8 | I111 L114 | I111-E117 HydrophobicContact CG2-CG 4.22Å; L114-E117 HydrophobicContact CD2-CG 4.29Å; L114-E117 PolarHBondContact O-N 3.38Å; L114-E117 VanDerWaalsContact O-N 3.15Å | ||
| 118 | D | 88.2 | Confident | 87 | Confident | 80 Ų | 80 | 87.2 Ų | 87.2 | 43% | 0.428 | 46% | 0.464 | S | S | . | . | trans | -107.2 | 6.6 | -172.8 | 71.3 | -15.4 | 0 | 0 | 0 | 114.7 | N116 F120 C121 I123 | N116-D118 VanDerWaalsContact C-N 3.32Å; N116-D118 PolarHBondContact O-N 3.39Å; N116-D118 VanDerWaalsContact O-N 3.08Å; D118-F120 PolarHBondContact O-N 2.81Å; D118-F120 VanDerWaalsContact O-N 3.14Å; D118-C121 CarbonylContact C-O 3.31Å; D118-C121 VanDerWaalsContact C-O 3.31Å; D118-C121 WeakPolarHBondContact CA-O 3.37Å; D118-C121 WeakPolarHBondContact CB-O 3.49Å; D118-C121 PolarHBondContact O-N 3.39Å; D118-I123 HydrophobicContact CB-CB 3.94Å; D118-I123 HydrophobicContact CB-CD1 4.03Å | ||
| 119 | K | 83 | Confident | 87.4 | Confident | 171 Ų | 171 | 88.2 Ų | 88.2 | 74% | 0.743 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -58.4 | -31.7 | -178 | -71.6 | -176.9 | -178.9 | 172.4 | 0 | 114.1 | ||
| 120 | F | 78.4 | Confident | 87.6 | Confident | 149 Ų | 149 | 84.5 Ų | 84.5 | 65% | 0.654 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -125.7 | 6.1 | -176.2 | -55.2 | -75.3 | 0 | 0 | 0 | 112.9 | L94 L97 D118 | L94-F120 HydrophobicContact CD2-CE1 4.49Å; L97-F120 HydrophobicContact CB-CZ 4.43Å; L97-F120 HydrophobicContact CD1-CE1 4.28Å; D118-F120 PolarHBondContact O-N 2.81Å; D118-F120 VanDerWaalsContact O-N 3.14Å |
| 121 | C | 81.5 | Confident | 87.7 | Confident | 55 Ų | 55 | 84.3 Ų | 84.3 | 37% | 0.372 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -146.8 | 141.7 | -178.9 | -168.8 | 0 | 0 | 0 | 0 | 108.8 | D118 I123 V126 | D118-C121 CarbonylContact C-O 3.31Å; D118-C121 VanDerWaalsContact C-O 3.31Å; D118-C121 WeakPolarHBondContact CA-O 3.37Å; D118-C121 WeakPolarHBondContact CB-O 3.49Å; D118-C121 PolarHBondContact O-N 3.39Å; C121-I123 PolarHBondContact O-N 2.98Å; C121-V126 HydrophobicContact CB-CG2 3.96Å |
| 122 | S | 84.5 | Confident | 87.7 | Confident | 50 Ų | 50 | 86.6 Ų | 86.6 | 35% | 0.35 | 43% | 0.429 | S | S | . | . | trans | -55.8 | 129.6 | 173.8 | 179 | 0 | 0 | 0 | 0 | 110.3 | H124 L125 V126 | S122-H124 PolarHBondContact O-N 2.94Å; S122-H124 PolarHBondContact OG-N 2.88Å; S122-L125 PolarHBondContact O-N 2.93Å; S122-V126 PolarHBondContact O-N 3.1Å; S122-V126 VanDerWaalsContact O-N 3.08Å | ||
| 123 | I | 88.3 | Confident | 87.5 | Confident | 62 Ų | 62 | 85 Ų | 85 | 32% | 0.318 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -48.8 | -35 | 173.5 | -172.8 | 63.2 | 0 | 0 | 0 | 112.4 | D115 D118 C121 V126 Q127 | D115-I123 WeakPolarHBondContact O-CD1 3.45Å; D118-I123 HydrophobicContact CB-CB 3.94Å; D118-I123 HydrophobicContact CB-CD1 4.03Å; C121-I123 PolarHBondContact O-N 2.98Å; I123-V126 PolarHBondContact O-N 2.99Å; I123-Q127 WeakPolarHBondContact O-CG 3.47Å; I123-Q127 PolarHBondContact O-N 3.29Å |
| 124 | H | 87.1 | Confident | 87 | Confident | 51 Ų | 51 | 85.1 Ų | 85.1 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62 | -47.2 | 176.4 | 178.6 | -77.7 | 0 | 0 | 0 | 111.8 | S54 S55 N56 S122 Q127 E128 | S54-H124 PolarHBondContact OG-CE1 3.39Å; S54-H124 VanDerWaalsContact OG-CE1 3.26Å; S55-H124 PolarHBondContact OG-CE1 3.32Å; S55-H124 PolarHBondContact OG-NE2 3.16Å; S55-H124 VanDerWaalsContact OG-NE2 3.07Å; N56-H124 WeakPolarHBondContact CB-CE1 3.35Å; N56-H124 PolarHBondContact N-CE1 2.82Å; N56-H124 VanDerWaalsContact N-CE1 3.32Å; S122-H124 PolarHBondContact O-N 2.94Å; S122-H124 PolarHBondContact OG-N 2.88Å; H124-Q127 PolarHBondContact O-N 3.36Å; H124-E128 IonicContact CE1-OE2 3.13Å; H124-E128 PolarHBondContact CE1-OE2 3.19Å; H124-E128 IonicContact ND1-OE2 3.35Å; H124-E128 PolarHBondContact ND1-OE2 3.31Å; H124-E128 WeakPolarHBondContact O-CB 3.43Å; H124-E128 PolarHBondContact O-N 3.46Å |
| 125 | L | 88 | Confident | 85.3 | Confident | 19 Ų | 19 | 93.4 Ų | 93.4 | 10% | 0.099 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 179.5 | -71.6 | 174 | 0 | 0 | 0 | 111.7 | L59 W80 S122 E128 V129 | L59-L125 HydrophobicContact CD1-CD1 4.08Å; L59-L125 HydrophobicContact CD1-CD2 3.84Å; L59-L125 HydrophobicContact CD1-CG 3.72Å; W80-L125 HydrophobicContact CB-CD1 3.7Å; W80-L125 HydrophobicContact CD2-CD2 4.48Å; W80-L125 HydrophobicContact CG-CD1 3.88Å; W80-L125 HydrophobicContact CG-CD2 4.37Å; S122-L125 PolarHBondContact O-N 2.93Å; L125-E128 PolarHBondContact O-N 2.84Å; L125-V129 WeakPolarHBondContact O-CB 3.34Å; L125-V129 VanDerWaalsContact O-CG2 3.29Å; L125-V129 WeakPolarHBondContact O-CG2 3.25Å; L125-V129 PolarHBondContact O-N 2.99Å |
| 126 | V | 89.7 | Confident | 85.1 | Confident | 22 Ų | 22 | 94.2 Ų | 94.2 | 13% | 0.133 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -58.7 | -55.7 | 174.6 | 175.4 | 0 | 0 | 0 | 0 | 109.9 | L114 C121 S122 I123 E128 V129 L130 | L114-V126 WeakPolarHBondContact O-CG1 3.21Å; C121-V126 HydrophobicContact CB-CG2 3.96Å; S122-V126 PolarHBondContact O-N 3.1Å; S122-V126 VanDerWaalsContact O-N 3.08Å; I123-V126 PolarHBondContact O-N 2.99Å; V126-E128 VanDerWaalsContact C-N 3.29Å; V126-E128 PolarHBondContact O-N 2.65Å; V126-V129 PolarHBondContact O-N 2.9Å; V126-L130 HydrophobicContact CG1-CD1 3.9Å; V126-L130 HydrophobicContact CG1-CG 4.49Å; V126-L130 VanDerWaalsContact O-CG 3.27Å; V126-L130 WeakPolarHBondContact O-CG 3.15Å; V126-L130 PolarHBondContact O-N 3.06Å |
| 127 | Q | 90.6 | Very high | 84.9 | Confident | 92 Ų | 92 | 93.5 Ų | 93.5 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60 | -40.5 | 178.7 | -71.1 | 177.3 | -10.1 | 0 | 0 | 112.1 | I123 H124 L130 N131 | I123-Q127 WeakPolarHBondContact O-CG 3.47Å; I123-Q127 PolarHBondContact O-N 3.29Å; H124-Q127 PolarHBondContact O-N 3.36Å; Q127-L130 PolarHBondContact O-N 3.05Å; Q127-N131 VanDerWaalsContact O-CB 3.24Å; Q127-N131 WeakPolarHBondContact O-CB 2.8Å; Q127-N131 PolarHBondContact O-N 3.03Å; Q127-N131 PolarHBondContact O-ND2 2.82Å |
| 128 | E | 89.6 | Confident | 84.7 | Confident | 14 Ų | 14 | 94 Ų | 94 | 7% | 0.065 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 179 | 180 | 166.3 | -157.5 | 0 | 0 | 112.1 | Y52 S54 S55 H124 L125 V126 N131 Y132 | Y52-E128 HydrophobicContact CE1-CG 4.15Å; Y52-E128 VanDerWaalsContact CE1-OE1 3.29Å; Y52-E128 WeakPolarHBondContact CE1-OE1 3.12Å; Y52-E128 VanDerWaalsContact CZ-OE1 3.27Å; Y52-E128 WeakPolarHBondContact OH-CG 3.35Å; Y52-E128 PolarHBondContact OH-OE1 3.35Å; S54-E128 WeakPolarHBondContact CA-OE1 3.49Å; S54-E128 WeakPolarHBondContact CB-OE2 3.18Å; S54-E128 PolarHBondContact OG-OE2 3.18Å; S55-E128 PolarHBondContact N-OE1 2.69Å; S55-E128 PolarHBondContact OG-OE1 3.22Å; H124-E128 IonicContact CE1-OE2 3.13Å; H124-E128 PolarHBondContact CE1-OE2 3.19Å; H124-E128 IonicContact ND1-OE2 3.35Å; H124-E128 PolarHBondContact ND1-OE2 3.31Å; H124-E128 WeakPolarHBondContact O-CB 3.43Å; H124-E128 PolarHBondContact O-N 3.46Å; L125-E128 PolarHBondContact O-N 2.84Å; V126-E128 VanDerWaalsContact C-N 3.29Å; V126-E128 PolarHBondContact O-N 2.65Å; E128-N131 PolarHBondContact O-N 3.34Å; E128-Y132 WeakPolarHBondContact O-CB 2.99Å; E128-Y132 PolarHBondContact O-N 3.14Å |
| 129 | V | 88.3 | Confident | 84.5 | Confident | 74 Ų | 74 | 94.8 Ų | 94.8 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 176.4 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | L125 V126 Y132 K133 | L125-V129 WeakPolarHBondContact O-CB 3.34Å; L125-V129 VanDerWaalsContact O-CG2 3.29Å; L125-V129 WeakPolarHBondContact O-CG2 3.25Å; L125-V129 PolarHBondContact O-N 2.99Å; V126-V129 PolarHBondContact O-N 2.9Å; V129-Y132 PolarHBondContact O-N 3.11Å; V129-K133 HydrophobicContact CG1-CD 4.37Å; V129-K133 WeakPolarHBondContact O-CG 3.27Å; V129-K133 PolarHBondContact O-N 3.16Å |
| 130 | L | 90.8 | Very high | 84.6 | Confident | 36 Ų | 36 | 90.1 Ų | 90.1 | 19% | 0.188 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 176.7 | -68.2 | 174.6 | 0 | 0 | 0 | 110.8 | L114 D115 V126 Q127 Y132 K133 V134 | L114-L130 HydrophobicContact CB-CD1 4.16Å; L114-L130 HydrophobicContact CB-CD2 4.17Å; L114-L130 HydrophobicContact CD1-CD2 4.29Å; D115-L130 HydrophobicContact CB-CD1 4.41Å; D115-L130 VanDerWaalsContact OD1-CD1 3.32Å; D115-L130 WeakPolarHBondContact OD1-CD1 3.46Å; V126-L130 HydrophobicContact CG1-CD1 3.9Å; V126-L130 HydrophobicContact CG1-CG 4.49Å; V126-L130 VanDerWaalsContact O-CG 3.27Å; V126-L130 WeakPolarHBondContact O-CG 3.15Å; V126-L130 PolarHBondContact O-N 3.06Å; Q127-L130 PolarHBondContact O-N 3.05Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 3.47Å; L130-K133 PolarHBondContact O-N 3.35Å; L130-V134 VanDerWaalsContact O-CG2 3.3Å; L130-V134 WeakPolarHBondContact O-CG2 3.2Å; L130-V134 PolarHBondContact O-N 3.29Å |
| 131 | N | 88.7 | Confident | 85 | Confident | 107 Ų | 107 | 86.1 Ų | 86.1 | 57% | 0.572 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.7 | -36 | 176.1 | -75.3 | -37.7 | 0 | 0 | 0 | 112.9 | Q127 E128 | Q127-N131 VanDerWaalsContact O-CB 3.24Å; Q127-N131 WeakPolarHBondContact O-CB 2.8Å; Q127-N131 PolarHBondContact O-N 3.03Å; Q127-N131 PolarHBondContact O-ND2 2.82Å; E128-N131 PolarHBondContact O-N 3.34Å |
| 132 | Y | 87.2 | Confident | 85.2 | Confident | 155 Ų | 155 | 88.4 Ų | 88.4 | 61% | 0.608 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 175.5 | -179.3 | -97.9 | 0 | 0 | 0 | 111.9 | Y52 E128 V129 L130 | Y52-Y132 HydrophobicContact CE2-CD2 4.11Å; Y52-Y132 HydrophobicContact CE2-CE2 4.42Å; E128-Y132 WeakPolarHBondContact O-CB 2.99Å; E128-Y132 PolarHBondContact O-N 3.14Å; V129-Y132 PolarHBondContact O-N 3.11Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 3.47Å |
| 133 | K | 85.8 | Confident | 85.3 | Confident | 151 Ų | 151 | 91.3 Ų | 91.3 | 66% | 0.657 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -76.1 | -26.6 | -178.7 | -75.5 | -178.9 | 178.5 | 178.9 | 0 | 114.9 | V129 L130 R135 | V129-K133 HydrophobicContact CG1-CD 4.37Å; V129-K133 WeakPolarHBondContact O-CG 3.27Å; V129-K133 PolarHBondContact O-N 3.16Å; L130-K133 PolarHBondContact O-N 3.35Å; K133-R135 PolarHBondContact O-N 3.26Å |
| 134 | V | 79.3 | Confident | 85 | Confident | 129 Ų | 129 | 93.8 Ų | 93.8 | 78% | 0.782 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -13.3 | 179 | 173 | 0 | 0 | 0 | 0 | 111.8 | L130 | L130-V134 VanDerWaalsContact O-CG2 3.3Å; L130-V134 WeakPolarHBondContact O-CG2 3.2Å; L130-V134 PolarHBondContact O-N 3.29Å |
| 135 | R | 55.1 | Low | 84.8 | Confident | 275 Ų | 275 | 97.6 Ų | 97.6 | 100% | 1.038 | 46% | 0.456 | S | S | * | . | trans | -90.7 | 0 | 173.5 | -70 | -177.7 | 177.2 | -178.8 | 1.6 | 112 | K133 | K133-R135 PolarHBondContact O-N 3.26Š|
Retrieved 135 of 135 residues in 48.5 ms
(Link to these results)