| 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 | 34.6 | Very low | 36.7 | Very low | 240 Ų | 240 | 131.9 Ų | 131.9 | 100% | 1.182 | 66% | 0.657 | S | S | * | * | 0 | 116.6 | 0 | -70.9 | 177 | 142.5 | 0 | 0 | 107.3 | S3 | M1-S3 PolarHBondContact O-N 3.1Š| |||
| 2 | S | 33.6 | Very low | 36.9 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | trans | -85.8 | 108.4 | -171.2 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | R4 | S2-R4 PolarHBondContact O-N 3.14Š| ||
| 3 | S | 34.3 | Very low | 37.1 | Very low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | trans | -67.7 | 72.5 | 172.4 | -44.6 | 0 | 0 | 0 | 0 | 109.3 | M1 W5 | M1-S3 PolarHBondContact O-N 3.1Å; S3-W5 PolarHBondContact O-N 2.67Å; S3-W5 PolarHBondContact O-NE1 3.16Å | ||
| 4 | R | 33.3 | Very low | 37.3 | Very low | 204 Ų | 204 | 117.4 Ų | 117.4 | 77% | 0.77 | 59% | 0.593 | S | S | * | * | trans | -77.2 | 106.7 | 174.3 | -79.5 | -170.9 | -72.9 | 172.9 | -2.2 | 108 | S2 N6 | S2-R4 PolarHBondContact O-N 3.14Å; R4-N6 PolarHBondContact O-N 2.84Å; R4-N6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | W | 32.7 | Very low | 37.3 | Very low | 220 Ų | 220 | 120.7 Ų | 120.7 | 83% | 0.833 | 60% | 0.604 | S | S | * | * | trans | -60.6 | 107.3 | 174.7 | -56.3 | 87 | 0 | 0 | 0 | 109.5 | S3 I7 | S3-W5 PolarHBondContact O-N 2.67Å; S3-W5 PolarHBondContact O-NE1 3.16Å; W5-I7 PolarHBondContact O-N 3.25Å | ||
| 6 | N | 33.7 | Very low | 37.4 | Very low | 158 Ų | 158 | 121.7 Ų | 121.7 | 85% | 0.845 | 61% | 0.612 | S | S | * | * | trans | -83.1 | 110.6 | 173.8 | -72.2 | -25.1 | 0 | 0 | 0 | 108.5 | R4 | R4-N6 PolarHBondContact O-N 2.84Å; R4-N6 VanDerWaalsContact O-N 3.16Å | ||
| 7 | I | 37.4 | Very low | 37.5 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 56% | 0.564 | 63% | 0.626 | S | S | * | * | trans | -95.4 | 116.7 | 177.2 | -56.8 | 172.2 | 0 | 0 | 0 | 107.4 | W5 I9 I215 | W5-I7 PolarHBondContact O-N 3.25Å; I7-I9 HydrophobicContact CG2-CD1 4.42Å; I7-I9 HydrophobicContact CG2-CG1 4.07Å; I7-I215 HydrophobicContact CG2-CG2 4.4Å | ||
| 8 | L | 41.7 | Very low | 37.7 | Very low | 123 Ų | 123 | 122 Ų | 122 | 64% | 0.644 | 63% | 0.627 | S | S | * | * | trans | -92.2 | 129 | 170.7 | -176.9 | 66.7 | 0 | 0 | 0 | 108.8 | ||||
| 9 | I | 41.9 | Very low | 37.7 | Very low | 55 Ų | 55 | 127.3 Ų | 127.3 | 28% | 0.282 | 64% | 0.638 | S | S | . | * | trans | -116.2 | 104.6 | 178.4 | -65.4 | 171.8 | 0 | 0 | 0 | 107.5 | I7 I201 I213 | I7-I9 HydrophobicContact CG2-CD1 4.42Å; I7-I9 HydrophobicContact CG2-CG1 4.07Å; I9-I201 HydrophobicContact CB-CD1 3.93Å; I9-I201 HydrophobicContact CB-CG1 4.37Å; I9-I201 HydrophobicContact CD1-CD1 3.46Å; I9-I201 VanDerWaalsContact CD1-CD1 3.46Å; I9-I201 HydrophobicContact CG1-CD1 4.26Å; I9-I201 HydrophobicContact CG2-CD1 3.79Å; I9-I201 HydrophobicContact CG2-CG1 3.88Å; I9-I213 HydrophobicContact CB-CG2 4.19Å; I9-I213 HydrophobicContact CD1-CG2 4.42Å; I9-I213 HydrophobicContact CG1-CG2 3.83Å; I9-I213 HydrophobicContact CG2-CB 4.23Å; I9-I213 HydrophobicContact CG2-CD1 4.26Å; I9-I213 HydrophobicContact CG2-CG1 3.83Å; I9-I213 HydrophobicContact CG2-CG2 3.69Å | ||
| 10 | Q | 39.7 | Very low | 37.8 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 57% | 0.565 | 65% | 0.65 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.4 | 173.1 | -171.9 | 172.6 | 13.9 | 0 | 0 | 109.3 | ||
| 11 | S | 41 | Very low | 38.1 | Very low | 22 Ų | 22 | 127.8 Ų | 127.8 | 15% | 0.154 | 65% | 0.652 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 112.4 | -178.8 | 73.8 | 0 | 0 | 0 | 0 | 109.6 | Y212 | S11-Y212 WeakPolarHBondContact CA-O 3.44Å |
| 12 | I | 38.7 | Very low | 38.5 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 43% | 0.431 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 120 | 175.9 | -55.6 | 175.8 | 0 | 0 | 0 | 107.5 | Y214 | I12-Y214 HydrophobicContact CD1-CE2 3.87Å; I12-Y214 HydrophobicContact CG1-CE2 4.35Å |
| 13 | P | 40.3 | Very low | 39.2 | Very low | 51 Ų | 51 | 123.7 Ų | 123.7 | 33% | 0.331 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.7 | 138.5 | 173.7 | 26 | -29.6 | 0 | 0 | 0 | 110.1 | H15 | P13-H15 PolarHBondContact O-N 2.97Å |
| 14 | D | 39.1 | Very low | 39.6 | Very low | 58 Ų | 58 | 125 Ų | 125 | 31% | 0.31 | 63% | 0.625 | S | S | . | * | trans | -61.1 | 72.7 | 169.4 | -79.1 | -18.4 | 0 | 0 | 0 | 110.8 | N210 Y212 | D14-N210 WeakPolarHBondContact OD2-CB 3.32Å; D14-N210 PolarHBondContact OD2-ND2 2.98Å; D14-Y212 WeakPolarHBondContact OD1-CE2 3.33Å | ||
| 15 | H | 38.2 | Very low | 40 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | trans | -97.2 | 108.1 | 158 | -74.8 | -52.3 | 0 | 0 | 0 | 107.3 | P13 | P13-H15 PolarHBondContact O-N 2.97Š| ||
| 16 | D | 37.5 | Very low | 40.5 | Very low | 137 Ų | 137 | 118.6 Ų | 118.6 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | trans | 67 | 105 | 175.4 | -69.9 | -31.4 | 0 | 0 | 0 | 117.3 | S18 | D16-S18 PolarHBondContact O-N 3.27Š| ||
| 17 | N | 39.4 | Very low | 40.9 | Very low | 157 Ų | 157 | 115.7 Ų | 115.7 | 84% | 0.84 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | 30.6 | 159.7 | -74.7 | -35.2 | 0 | 0 | 0 | 114 | ||
| 18 | S | 41.6 | Very low | 41.2 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -12 | -178.9 | 70.2 | 0 | 0 | 0 | 0 | 114 | D16 | D16-S18 PolarHBondContact O-N 3.27Š|
| 19 | R | 38.5 | Very low | 41.4 | Very low | 223 Ų | 223 | 117.9 Ų | 117.9 | 84% | 0.842 | 62% | 0.624 | S | S | * | * | trans | -100.3 | 95.9 | 174.8 | -78.7 | -174.9 | 169.6 | -177.1 | -0.9 | 110.7 | S21 | R19-S21 PolarHBondContact O-N 3.14Š| ||
| 20 | N | 38.5 | Very low | 41 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 89% | 0.888 | 65% | 0.648 | S | S | * | * | trans | -53.9 | 59.3 | 159 | -82.7 | -25.7 | 0 | 0 | 0 | 112.4 | Q22 | N20-Q22 PolarHBondContact O-N 3.42Š| ||
| 21 | S | 44.2 | Very low | 41 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | trans | -84.2 | 90.5 | 162.3 | 54.2 | 0 | 0 | 0 | 0 | 106.9 | R19 | R19-S21 PolarHBondContact O-N 3.14Š| ||
| 22 | Q | 43.2 | Very low | 41 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 134.1 | 163.3 | -79.7 | -166.8 | -42.7 | 0 | 0 | 108.5 | N20 N24 | N20-Q22 PolarHBondContact O-N 3.42Å; Q22-N24 PolarHBondContact O-N 2.91Å |
| 23 | P | 47.5 | Very low | 41 | Very low | 81 Ų | 81 | 130 Ų | 130 | 53% | 0.526 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -60 | 131.2 | 178.3 | 23.8 | -31.8 | 0 | 0 | 0 | 109.4 | Q27 V29 | P23-Q27 HydrophobicContact CB-CB 4.37Å; P23-V29 HydrophobicContact CB-CG2 4.49Å |
| 24 | N | 44.5 | Very low | 40.9 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -57 | 141.2 | 176 | -70.9 | -45.3 | 0 | 0 | 0 | 109.9 | Q22 G26 Q27 | Q22-N24 PolarHBondContact O-N 2.91Å; N24-G26 PolarHBondContact O-N 3.31Å; N24-Q27 PolarHBondContact O-N 2.87Å; N24-Q27 VanDerWaalsContact O-N 3.09Å |
| 25 | E | 39.7 | Very low | 40.9 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 97% | 0.972 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | 121.9 | -177.8 | -151.7 | 173.7 | -161.7 | 0 | 0 | 110.7 | ||
| 26 | G | 45 | Very low | 40.7 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.2 | -8.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | N24 | N24-G26 PolarHBondContact O-N 3.31Š|
| 27 | Q | 40.7 | Very low | 40.9 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 46% | 0.458 | 74% | 0.743 | S | S | . | * | trans | -91.1 | 111.8 | 175.2 | -67.2 | -175.6 | -2.2 | 0 | 0 | 111.6 | P23 N24 | P23-Q27 HydrophobicContact CB-CB 4.37Å; N24-Q27 PolarHBondContact O-N 2.87Å; N24-Q27 VanDerWaalsContact O-N 3.09Å | ||
| 28 | K | 44.6 | Very low | 40.6 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | -92 | 102.3 | 176.1 | -161.4 | 177 | -175.2 | -174.3 | 0 | 109.9 | ||||
| 29 | V | 44.6 | Very low | 40.2 | Very low | 85 Ų | 85 | 147 Ų | 147 | 52% | 0.515 | 75% | 0.752 | S | S | . | * | trans | -82.6 | 122.7 | 175.3 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | P23 Y212 | P23-V29 HydrophobicContact CB-CG2 4.49Å; V29-Y212 HydrophobicContact CG1-CD1 4.34Å; V29-Y212 HydrophobicContact CG1-CE1 4.2Å | ||
| 30 | M | 35.4 | Very low | 40.1 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | trans | -102.4 | 115.9 | 167.9 | -78.5 | -172.5 | -52.6 | 0 | 0 | 109.4 | I32 | M30-I32 PolarHBondContact O-N 3.12Š| ||
| 31 | S | 39.4 | Very low | 40.1 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 116.2 | 167.9 | 17.3 | 0 | 0 | 0 | 0 | 109 | P33 | S31-P33 WeakPolarHBondContact O-CD 3.17Š|
| 32 | I | 41.4 | Very low | 39.8 | Very low | 153 Ų | 153 | 146.7 Ų | 146.7 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 119.6 | 170.4 | -57.7 | 174.3 | 0 | 0 | 0 | 106.3 | M30 N34 | M30-I32 PolarHBondContact O-N 3.12Å; I32-N34 PolarHBondContact O-N 2.69Å |
| 33 | P | 38.3 | Very low | 39.3 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 122.1 | 176.2 | -14.8 | 27.1 | 0 | 0 | 0 | 108.8 | S31 R35 | S31-P33 WeakPolarHBondContact O-CD 3.17Å; P33-R35 PolarHBondContact O-N 3.1Å |
| 34 | N | 38.4 | Very low | 38.8 | Very low | 123 Ų | 123 | 149 Ų | 149 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | trans | -57.6 | 105.5 | 164.9 | -91.2 | -40.5 | 0 | 0 | 0 | 106.7 | I32 S36 N210 | I32-N34 PolarHBondContact O-N 2.69Å; N34-S36 PolarHBondContact O-N 3.45Å; N34-N210 PolarHBondContact ND2-OD1 3.08Å | ||
| 35 | R | 37.8 | Very low | 38.1 | Very low | 220 Ų | 220 | 148 Ų | 148 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -67.6 | 86.4 | 165.7 | -144.4 | -179.8 | -155.1 | -131.8 | 3.4 | 105 | P33 F37 | P33-R35 PolarHBondContact O-N 3.1Å; R35-F37 VanDerWaalsContact O-CD2 3.27Å; R35-F37 WeakPolarHBondContact O-CD2 3.23Å; R35-F37 PolarHBondContact O-N 3.21Å | ||
| 36 | S | 35.1 | Very low | 37.9 | Very low | 92 Ų | 92 | 142.8 Ų | 142.8 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | -55.6 | 109.4 | 170.7 | 49.3 | 0 | 0 | 0 | 0 | 106.7 | N34 Y38 | N34-S36 PolarHBondContact O-N 3.45Å; S36-Y38 PolarHBondContact O-N 2.73Å | ||
| 37 | F | 41.5 | Very low | 37.2 | Very low | 193 Ų | 193 | 146 Ų | 146 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -70.3 | 68 | 170.4 | -74.2 | -94.6 | 0 | 0 | 0 | 108.9 | R35 | R35-F37 VanDerWaalsContact O-CD2 3.27Å; R35-F37 WeakPolarHBondContact O-CD2 3.23Å; R35-F37 PolarHBondContact O-N 3.21Å | ||
| 38 | Y | 32 | Very low | 36.9 | Very low | 201 Ų | 201 | 150 Ų | 150 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | trans | -134.9 | 87.2 | 165.8 | -77.1 | -74.6 | 0 | 0 | 0 | 107.3 | S36 | S36-Y38 PolarHBondContact O-N 2.73Š| ||
| 39 | E | 34.3 | Very low | 36.6 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -170.4 | 94.1 | 147.1 | -105.5 | 165.2 | -168.6 | 0 | 0 | 106.6 | ||||
| 40 | D | 36.8 | Very low | 36.4 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 144 | 172.9 | -73.4 | -53.3 | 0 | 0 | 0 | 111 | ||
| 41 | N | 38.1 | Very low | 36.9 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.5 | 16.7 | 171.8 | -53.7 | -47.4 | 0 | 0 | 0 | 119.1 | ||
| 42 | Q | 37.1 | Very low | 36.9 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -99.9 | 92.2 | 156.4 | -69.8 | -74.7 | -34.9 | 0 | 0 | 108.3 | S44 | Q42-S44 PolarHBondContact O-N 2.9Š| ||
| 43 | Q | 33.2 | Very low | 36.8 | Very low | 195 Ų | 195 | 154.2 Ų | 154.2 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -44.7 | 103.6 | 175 | -132.1 | 170 | 10.5 | 0 | 0 | 108.7 | S45 | Q43-S45 PolarHBondContact O-N 3.28Š| ||
| 44 | S | 36.5 | Very low | 36.8 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -62.2 | 108.1 | -179.8 | -63 | 0 | 0 | 0 | 0 | 107 | Q42 T46 | Q42-S44 PolarHBondContact O-N 2.9Å; S44-T46 PolarHBondContact O-N 3.01Å | ||
| 45 | S | 30.6 | Very low | 36.9 | Very low | 102 Ų | 102 | 154.7 Ų | 154.7 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -67.9 | 100.7 | -179.1 | 64.8 | 0 | 0 | 0 | 0 | 108.4 | Q43 I47 | Q43-S45 PolarHBondContact O-N 3.28Å; S45-I47 PolarHBondContact O-N 3.22Å | ||
| 46 | T | 36.2 | Very low | 37.1 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 60% | 0.601 | 78% | 0.784 | S | S | * | * | trans | -70 | 102 | 168.7 | -59.6 | 0 | 0 | 0 | 0 | 105.9 | S44 Y48 | S44-T46 PolarHBondContact O-N 3.01Å; T46-Y48 HydrophobicContact CG2-CD2 4.48Å; T46-Y48 HydrophobicContact CG2-CE1 4.23Å; T46-Y48 HydrophobicContact CG2-CE2 4.03Å; T46-Y48 WeakPolarHBondContact O-CD2 3.4Å; T46-Y48 PolarHBondContact O-N 2.88Å; T46-Y48 VanDerWaalsContact O-N 3.12Å | ||
| 47 | I | 30.2 | Very low | 37.2 | Very low | 149 Ų | 149 | 154.9 Ų | 154.9 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -75.5 | 100.8 | 177.6 | -60.3 | 169.8 | 0 | 0 | 0 | 107 | S45 | S45-I47 PolarHBondContact O-N 3.22Š| ||
| 48 | Y | 33.1 | Very low | 37 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | trans | -70.8 | 133.7 | 170.6 | -65.1 | -84.7 | 0 | 0 | 0 | 109.5 | T46 V50 | T46-Y48 HydrophobicContact CG2-CD2 4.48Å; T46-Y48 HydrophobicContact CG2-CE1 4.23Å; T46-Y48 HydrophobicContact CG2-CE2 4.03Å; T46-Y48 WeakPolarHBondContact O-CD2 3.4Å; T46-Y48 PolarHBondContact O-N 2.88Å; T46-Y48 VanDerWaalsContact O-N 3.12Å; Y48-V50 PolarHBondContact O-N 2.98Å | ||
| 49 | P | 39.3 | Very low | 37.6 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -62.1 | 126.7 | 178.3 | 25 | -31.9 | 0 | 0 | 0 | 109.9 | E51 | P49-E51 PolarHBondContact O-N 2.76Å; P49-E51 VanDerWaalsContact O-N 3.14Å | ||
| 50 | V | 38.9 | Very low | 37.9 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | trans | -61.2 | 113.2 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 109.5 | Y48 N52 | Y48-V50 PolarHBondContact O-N 2.98Å; V50-N52 PolarHBondContact O-N 2.92Å | ||
| 51 | E | 46.4 | Very low | 38.2 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -65.7 | -16.7 | -175.5 | -63.3 | -176.2 | 162.7 | 0 | 0 | 114.1 | P49 R53 | P49-E51 PolarHBondContact O-N 2.76Å; P49-E51 VanDerWaalsContact O-N 3.14Å; E51-R53 PolarHBondContact O-N 2.98Å |
| 52 | N | 38.9 | Very low | 38.2 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -102 | 53.4 | -174.1 | -70.4 | -26.4 | 0 | 0 | 0 | 113.4 | V50 P54 | V50-N52 PolarHBondContact O-N 2.92Å; N52-P54 WeakPolarHBondContact O-CD 3.25Å | ||
| 53 | R | 40.3 | Very low | 38.6 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -81.7 | 117.2 | 158.6 | -82 | -171.6 | 177.8 | -175.6 | 0.6 | 107.9 | E51 V55 | E51-R53 PolarHBondContact O-N 2.98Å; R53-V55 PolarHBondContact O-N 2.96Å | ||
| 54 | P | 37.8 | Very low | 39 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -60.4 | 108.4 | 170.3 | 24.6 | -30.5 | 0 | 0 | 0 | 107 | N52 L56 | N52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-L56 PolarHBondContact O-N 2.98Å | ||
| 55 | V | 41.3 | Very low | 39.8 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | trans | -57.8 | 110.2 | 165.2 | 175.8 | 0 | 0 | 0 | 0 | 104.5 | R53 Q57 | R53-V55 PolarHBondContact O-N 2.96Å; V55-Q57 PolarHBondContact O-N 2.86Å | ||
| 56 | L | 41.2 | Very low | 40.5 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | -58 | 95.7 | 167.7 | -71.1 | 170.3 | 0 | 0 | 0 | 105.8 | P54 S58 | P54-L56 PolarHBondContact O-N 2.98Å; L56-S58 PolarHBondContact O-N 2.96Å | ||
| 57 | Q | 37.7 | Very low | 40.7 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -57.4 | 107.3 | 168.9 | -90.1 | -179.4 | -5.8 | 0 | 0 | 105.8 | V55 F59 | V55-Q57 PolarHBondContact O-N 2.86Å; Q57-F59 VanDerWaalsContact O-CD2 3.25Å; Q57-F59 WeakPolarHBondContact O-CD2 3.27Å; Q57-F59 PolarHBondContact O-N 3.22Å | ||
| 58 | S | 36.2 | Very low | 41.3 | Very low | 94 Ų | 94 | 145 Ų | 145 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | trans | -56.9 | 105.8 | 164.2 | 171.8 | 0 | 0 | 0 | 0 | 106.8 | L56 N60 | L56-S58 PolarHBondContact O-N 2.96Å; S58-N60 PolarHBondContact O-N 3.05Å | ||
| 59 | F | 46 | Very low | 41.8 | Very low | 185 Ų | 185 | 148 Ų | 148 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 5.8 | -178.3 | -87.1 | -85.8 | 0 | 0 | 0 | 114.1 | Q57 | Q57-F59 VanDerWaalsContact O-CD2 3.25Å; Q57-F59 WeakPolarHBondContact O-CD2 3.27Å; Q57-F59 PolarHBondContact O-N 3.22Å |
| 60 | N | 40.7 | Very low | 42.4 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 19.6 | -170.6 | -73.1 | -19.2 | 0 | 0 | 0 | 115.1 | S58 | S58-N60 PolarHBondContact O-N 3.05Š|
| 61 | Q | 41.7 | Very low | 42.6 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -109 | 108.3 | 171.7 | -146.2 | 161.9 | 13.4 | 0 | 0 | 110.2 | ||||
| 62 | P | 39.5 | Very low | 43.1 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -59.2 | 139.3 | 175.3 | 23.1 | -31 | 0 | 0 | 0 | 109.2 | S64 | P62-S64 PolarHBondContact O-N 2.66Š| ||
| 63 | P | 44.1 | Very low | 43.9 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -63.5 | 105.4 | -177.8 | 25.4 | -32.6 | 0 | 0 | 0 | 108.8 | P65 | P63-P65 WeakPolarHBondContact O-CD 3.32Š| ||
| 64 | S | 41.9 | Very low | 44.7 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | trans | -64.8 | 119.5 | 168.4 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | P62 Y66 S67 | P62-S64 PolarHBondContact O-N 2.66Å; S64-Y66 PolarHBondContact O-N 3Å; S64-S67 PolarHBondContact O-N 2.7Å | ||
| 65 | P | 54.3 | Low | 45.6 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -0.2 | -175.4 | 26.4 | -32.5 | 0 | 0 | 0 | 113.7 | P63 | P63-P65 WeakPolarHBondContact O-CD 3.32Š|
| 66 | Y | 44.8 | Very low | 46.4 | Very low | 186 Ų | 186 | 142 Ų | 142 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 23.7 | 176.9 | -62.7 | -77 | 0 | 0 | 0 | 113.4 | S64 Y68 | S64-Y66 PolarHBondContact O-N 3Å; Y66-Y68 PolarHBondContact O-N 3.01Å |
| 67 | S | 40.6 | Very low | 47.1 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -75.5 | 74.8 | 166.9 | -148.6 | 0 | 0 | 0 | 0 | 109 | S64 R69 | S64-S67 PolarHBondContact O-N 2.7Å; S67-R69 PolarHBondContact O-N 3.44Å; S67-R69 VanDerWaalsContact O-N 3.16Å | ||
| 68 | Y | 43.3 | Very low | 47.9 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -45.7 | 123.5 | 161.3 | -88 | -95.3 | 0 | 0 | 0 | 106.9 | Y66 K70 | Y66-Y68 PolarHBondContact O-N 3.01Å; Y68-K70 PolarHBondContact O-N 2.84Å | ||
| 69 | R | 43.8 | Very low | 48.1 | Very low | 248 Ų | 248 | 143 Ų | 143 | 94% | 0.936 | 75% | 0.752 | S | S | * | * | trans | -51.8 | 88.7 | 172.6 | -75.2 | -175.9 | 175.8 | -166.2 | -0.3 | 108.4 | S67 T71 | S67-R69 PolarHBondContact O-N 3.44Å; S67-R69 VanDerWaalsContact O-N 3.16Å; R69-T71 PolarHBondContact O-N 3.13Å; R69-T71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | K | 50.3 | Low | 47.9 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -67 | 113.4 | 161.9 | -79 | -166.9 | 175.2 | -171.6 | 0 | 104.4 | Y68 | Y68-K70 PolarHBondContact O-N 2.84Š| ||
| 71 | T | 44 | Very low | 48 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | -38.1 | 123.6 | 164.1 | -7.1 | 0 | 0 | 0 | 0 | 107.4 | R69 D73 | R69-T71 PolarHBondContact O-N 3.13Å; R69-T71 VanDerWaalsContact O-N 3.14Å; T71-D73 PolarHBondContact O-N 2.74Å; T71-D73 VanDerWaalsContact O-N 3.1Å | ||
| 72 | P | 56.4 | Low | 47.9 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 123.6 | -178.6 | 21.4 | -30 | 0 | 0 | 0 | 107.8 | ||
| 73 | D | 56.2 | Low | 48.3 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 141.1 | 175 | -73.9 | -43.4 | 0 | 0 | 0 | 108.7 | T71 | T71-D73 PolarHBondContact O-N 2.74Å; T71-D73 VanDerWaalsContact O-N 3.1Å |
| 74 | P | 56.9 | Low | 47.9 | Very low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 142.1 | -177.4 | 22.8 | -32.4 | 0 | 0 | 0 | 110.3 | D76 | P74-D76 PolarHBondContact O-N 3.3Š|
| 75 | P | 57.4 | Low | 48 | Very low | 114 Ų | 114 | 152.1 Ų | 152.1 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 129.3 | -177 | 22.7 | -32.3 | 0 | 0 | 0 | 110.3 | T77 | P75-T77 PolarHBondContact O-N 3.14Š|
| 76 | D | 57.8 | Low | 47.5 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 56% | 0.556 | 76% | 0.756 | S | S | * | * | trans | -65.4 | 102.3 | 176 | -170.7 | -6.8 | 0 | 0 | 0 | 108.9 | P74 R78 | P74-D76 PolarHBondContact O-N 3.3Å; D76-R78 PolarHBondContact O-N 3.16Å; D76-R78 VanDerWaalsContact OD1-CB 3.23Å; D76-R78 WeakPolarHBondContact OD1-CB 3.49Å; D76-R78 WeakPolarHBondContact OD1-CG 3.33Å; D76-R78 IonicContact OD1-CZ 3.44Å; D76-R78 PolarHBondContact OD1-N 3.17Å; D76-R78 VanDerWaalsContact OD1-N 3.1Å; D76-R78 IonicContact OD1-NE 2.7Å; D76-R78 PolarHBondContact OD1-NE 2.83Å; D76-R78 IonicContact OD1-NH2 3.77Å; D76-R78 IonicContact OD2-CZ 3.28Å; D76-R78 IonicContact OD2-NE 3.91Å; D76-R78 PolarHBondContact OD2-NE 2.65Å; D76-R78 IonicContact OD2-NH2 3.01Å; D76-R78 PolarHBondContact OD2-NH2 2.99Å | ||
| 77 | T | 54.9 | Low | 47 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | -84.2 | 4.6 | -179.2 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | P75 | P75-T77 PolarHBondContact O-N 3.14Š| ||
| 78 | R | 55.6 | Low | 47.1 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 67% | 0.672 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -67.9 | 131.6 | -177.6 | -66.1 | 179.3 | -60.7 | 164.6 | 3.5 | 110.2 | D76 V80 | D76-R78 PolarHBondContact O-N 3.16Å; D76-R78 VanDerWaalsContact OD1-CB 3.23Å; D76-R78 WeakPolarHBondContact OD1-CB 3.49Å; D76-R78 WeakPolarHBondContact OD1-CG 3.33Å; D76-R78 IonicContact OD1-CZ 3.44Å; D76-R78 PolarHBondContact OD1-N 3.17Å; D76-R78 VanDerWaalsContact OD1-N 3.1Å; D76-R78 IonicContact OD1-NE 2.7Å; D76-R78 PolarHBondContact OD1-NE 2.83Å; D76-R78 IonicContact OD1-NH2 3.77Å; D76-R78 IonicContact OD2-CZ 3.28Å; D76-R78 IonicContact OD2-NE 3.91Å; D76-R78 PolarHBondContact OD2-NE 2.65Å; D76-R78 IonicContact OD2-NH2 3.01Å; D76-R78 PolarHBondContact OD2-NH2 2.99Å; R78-V80 PolarHBondContact O-N 3.3Å |
| 79 | P | 41.1 | Very low | 47.2 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | -65.4 | 107.5 | 179.2 | 24.5 | -32.3 | 0 | 0 | 0 | 110.4 | K81 | P79-K81 PolarHBondContact O-N 2.71Š| ||
| 80 | V | 41.5 | Very low | 47.1 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | trans | -77.4 | 104.5 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | R78 I82 | R78-V80 PolarHBondContact O-N 3.3Å; V80-I82 HydrophobicContact CG1-CG1 4.39Å; V80-I82 PolarHBondContact O-N 2.93Å | ||
| 81 | K | 42.2 | Very low | 46.7 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | trans | -80.6 | 102.8 | 172.3 | -71.5 | -178.6 | 179.9 | 179.6 | 0 | 109.4 | P79 I83 | P79-K81 PolarHBondContact O-N 2.71Å; K81-I83 PolarHBondContact O-N 3.13Å; K81-I83 VanDerWaalsContact O-N 3.14Å | ||
| 82 | I | 40.5 | Very low | 46.5 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | trans | -74.5 | 101.5 | 174.7 | -56.8 | 172.8 | 0 | 0 | 0 | 108.6 | V80 R84 | V80-I82 HydrophobicContact CG1-CG1 4.39Å; V80-I82 PolarHBondContact O-N 2.93Å; I82-R84 PolarHBondContact O-N 3.12Å | ||
| 83 | I | 46.5 | Very low | 45.8 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 61% | 0.61 | 72% | 0.717 | S | S | * | * | trans | -77.9 | 111.8 | 173.9 | -58.1 | 174.2 | 0 | 0 | 0 | 108.1 | K81 Y85 | K81-I83 PolarHBondContact O-N 3.13Å; K81-I83 VanDerWaalsContact O-N 3.14Å; I83-Y85 HydrophobicContact CG2-CE2 4.29Å; I83-Y85 PolarHBondContact O-N 3.01Å | ||
| 84 | R | 35.5 | Very low | 45.6 | Very low | 224 Ų | 224 | 133.6 Ų | 133.6 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | trans | -85.8 | 107.2 | 174.5 | -64.7 | -173.6 | -174.5 | -165.8 | 2.5 | 109.1 | I82 V86 | I82-R84 PolarHBondContact O-N 3.12Å; R84-V86 PolarHBondContact O-N 2.78Å | ||
| 85 | Y | 44.4 | Very low | 45.3 | Very low | 208 Ų | 208 | 134.9 Ų | 134.9 | 82% | 0.816 | 71% | 0.712 | S | S | * | * | trans | -71.4 | 113.5 | 169 | -62.9 | -86 | 0 | 0 | 0 | 109 | I83 | I83-Y85 HydrophobicContact CG2-CE2 4.29Å; I83-Y85 PolarHBondContact O-N 3.01Å | ||
| 86 | V | 43.4 | Very low | 44.7 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -86.8 | 111.1 | 170.3 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | R84 L88 | R84-V86 PolarHBondContact O-N 2.78Å; V86-L88 PolarHBondContact O-N 3.26Å | ||
| 87 | S | 35.6 | Very low | 44.1 | Very low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | trans | -61.4 | 119.6 | 172.8 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | S89 | S87-S89 PolarHBondContact O-N 3.47Å; S87-S89 VanDerWaalsContact O-N 3.12Å; S87-S89 PolarHBondContact OG-OG 3.24Å | ||
| 88 | L | 41.6 | Very low | 43.5 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -72.4 | 1.8 | -179.4 | -54.6 | 176.2 | 0 | 0 | 0 | 113.3 | V86 K90 I91 | V86-L88 PolarHBondContact O-N 3.26Å; L88-K90 PolarHBondContact O-N 3.5Å; L88-I91 HydrophobicContact CB-CD1 3.95Å; L88-I91 HydrophobicContact CB-CG1 4.35Å; L88-I91 HydrophobicContact CD2-CD1 3.34Å; L88-I91 HydrophobicContact CD2-CG1 4.33Å; L88-I91 HydrophobicContact CG-CD1 4.14Å; L88-I91 PolarHBondContact O-N 2.95Å |
| 89 | S | 46.4 | Very low | 42.9 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -63.4 | -4 | 179.4 | 54.4 | 0 | 0 | 0 | 0 | 115 | S87 | S87-S89 PolarHBondContact O-N 3.47Å; S87-S89 VanDerWaalsContact O-N 3.12Å; S87-S89 PolarHBondContact OG-OG 3.24Å |
| 90 | K | 40.8 | Very low | 43.1 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -118 | 16 | 173 | -63.4 | -170.7 | -178 | -174.4 | 0 | 114 | L88 P92 | L88-K90 PolarHBondContact O-N 3.5Å; K90-P92 VanDerWaalsContact O-CD 3.25Å; K90-P92 WeakPolarHBondContact O-CD 3.36Å |
| 91 | I | 41.5 | Very low | 43.6 | Very low | 114 Ų | 114 | 138 Ų | 138 | 59% | 0.585 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -81.3 | 112.7 | 167.2 | -57.9 | -177.2 | 0 | 0 | 0 | 106.3 | L88 S93 | L88-I91 HydrophobicContact CB-CD1 3.95Å; L88-I91 HydrophobicContact CB-CG1 4.35Å; L88-I91 HydrophobicContact CD2-CD1 3.34Å; L88-I91 HydrophobicContact CD2-CG1 4.33Å; L88-I91 HydrophobicContact CG-CD1 4.14Å; L88-I91 PolarHBondContact O-N 2.95Å; I91-S93 PolarHBondContact O-N 3.09Å; I91-S93 VanDerWaalsContact O-N 3.1Å |
| 92 | P | 41.2 | Very low | 44 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | trans | -57.7 | 121.1 | 177 | 21.7 | -30 | 0 | 0 | 0 | 108.6 | K90 T94 | K90-P92 VanDerWaalsContact O-CD 3.25Å; K90-P92 WeakPolarHBondContact O-CD 3.36Å; P92-T94 PolarHBondContact O-N 3.42Å | ||
| 93 | S | 41.8 | Very low | 45.1 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 57% | 0.566 | 71% | 0.707 | S | S | * | * | trans | -53.6 | 135.9 | 172 | -170.5 | 0 | 0 | 0 | 0 | 108.3 | I91 D95 | I91-S93 PolarHBondContact O-N 3.09Å; I91-S93 VanDerWaalsContact O-N 3.1Å; S93-D95 PolarHBondContact O-N 3.33Å; S93-D95 PolarHBondContact OG-OD2 3.09Å | ||
| 94 | T | 51.6 | Low | 46 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -65.6 | 6.5 | -174.8 | 26 | 0 | 0 | 0 | 0 | 115.4 | P92 | P92-T94 PolarHBondContact O-N 3.42Š|
| 95 | D | 49.9 | Very low | 47.6 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -81.8 | -12 | -179 | -63.8 | -52.5 | 0 | 0 | 0 | 114.1 | S93 | S93-D95 PolarHBondContact O-N 3.33Å; S93-D95 PolarHBondContact OG-OD2 3.09Å |
| 96 | D | 44.2 | Very low | 48.6 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -97.3 | 24.1 | 178.2 | -72 | -26.5 | 0 | 0 | 0 | 114 | S98 | D96-S98 PolarHBondContact O-N 2.93Å; D96-S98 VanDerWaalsContact O-N 3.09Å |
| 97 | K | 45.1 | Very low | 49.7 | Very low | 171 Ų | 171 | 120.7 Ų | 120.7 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -83.6 | 69.5 | 167.8 | -72.3 | -166.3 | 175.3 | -174.4 | 0 | 110.4 | S99 | K97-S99 PolarHBondContact O-N 3.17Š| ||
| 98 | S | 42.8 | Very low | 51.2 | Low | 102 Ų | 102 | 122.9 Ų | 122.9 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | trans | -64.5 | 126.1 | 155.4 | 58 | 0 | 0 | 0 | 0 | 108 | D96 Q100 | D96-S98 PolarHBondContact O-N 2.93Å; D96-S98 VanDerWaalsContact O-N 3.09Å; S98-Q100 PolarHBondContact O-N 3.09Å | ||
| 99 | S | 43.2 | Very low | 52.3 | Low | 114 Ų | 114 | 123.8 Ų | 123.8 | 80% | 0.797 | 67% | 0.665 | S | S | * | * | trans | -57.1 | 90.3 | -172.7 | -50 | 0 | 0 | 0 | 0 | 112.5 | K97 T101 | K97-S99 PolarHBondContact O-N 3.17Å; S99-T101 VanDerWaalsContact C-N 3.3Å; S99-T101 PolarHBondContact O-N 3.47Å | ||
| 100 | Q | 45.8 | Very low | 52.9 | Low | 174 Ų | 174 | 124.2 Ų | 124.2 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | trans | -87.3 | 77.4 | 165.2 | -149.7 | 103.1 | 43.9 | 0 | 0 | 107.9 | S98 L102 | S98-Q100 PolarHBondContact O-N 3.09Å; Q100-L102 PolarHBondContact O-N 3.44Å | ||
| 101 | T | 52.1 | Low | 53.8 | Low | 122 Ų | 122 | 121 Ų | 121 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | trans | -61.7 | 115.7 | 169.1 | -46.6 | 0 | 0 | 0 | 0 | 107.4 | S99 T103 | S99-T101 VanDerWaalsContact C-N 3.3Å; S99-T101 PolarHBondContact O-N 3.47Å; T101-T103 PolarHBondContact O-N 3.46Å | ||
| 102 | L | 50.7 | Low | 54.4 | Low | 94 Ų | 94 | 119.2 Ų | 119.2 | 49% | 0.492 | 64% | 0.641 | S | S | . | * | trans | -61.1 | 128.7 | 175.6 | -68.3 | 169.2 | 0 | 0 | 0 | 108.5 | Q100 E106 | Q100-L102 PolarHBondContact O-N 3.44Å; L102-E106 HydrophobicContact CD2-CG 3.98Å | ||
| 103 | T | 63.1 | Low | 55 | Low | 97 Ų | 97 | 119.7 Ų | 119.7 | 60% | 0.595 | 64% | 0.637 | S | S | * | * | trans | -68.8 | 148.4 | 173.1 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | T101 Q105 E106 L107 | T101-T103 PolarHBondContact O-N 3.46Å; T103-Q105 PolarHBondContact O-N 3.48Å; T103-E106 PolarHBondContact O-N 3.06Å; T103-L107 PolarHBondContact O-N 3.47Å | ||
| 104 | D | 65.4 | Low | 55.6 | Low | 142 Ų | 142 | 120.7 Ų | 120.7 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -52.1 | -33.5 | -174.5 | -62.5 | -29.5 | 0 | 0 | 0 | 113.3 | E106 L107 E108 | D104-E106 PolarHBondContact O-N 3.16Å; D104-L107 WeakPolarHBondContact O-CB 3.27Å; D104-L107 PolarHBondContact O-N 2.96Å; D104-E108 PolarHBondContact O-N 2.67Å |
| 105 | Q | 69.4 | Low | 55.5 | Low | 158 Ų | 158 | 120.4 Ų | 120.4 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.9 | -36.5 | 177.1 | -166.4 | -179.6 | 8.8 | 0 | 0 | 113.4 | T103 L107 R109 | T103-Q105 PolarHBondContact O-N 3.48Å; Q105-L107 VanDerWaalsContact C-N 3.32Å; Q105-R109 PolarHBondContact O-N 3.15Å |
| 106 | E | 64.8 | Low | 55.2 | Low | 59 Ų | 59 | 121.6 Ų | 121.6 | 28% | 0.276 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -74.4 | -29.2 | 178.2 | -171.7 | 58.5 | -160.9 | 0 | 0 | 111 | L102 T103 D104 R109 Q110 | L102-E106 HydrophobicContact CD2-CG 3.98Å; T103-E106 PolarHBondContact O-N 3.06Å; D104-E106 PolarHBondContact O-N 3.16Å; E106-R109 PolarHBondContact O-N 2.84Å; E106-R109 IonicContact OE1-CZ 4Å; E106-R109 IonicContact OE1-NE 3.12Å; E106-R109 PolarHBondContact OE1-NE 2.81Å; E106-R109 VanDerWaalsContact OE1-NE 3.16Å; E106-R109 IonicContact OE1-NH2 3.4Å; E106-R109 PolarHBondContact OE1-NH2 3.12Å; E106-R109 IonicContact OE2-CZ 2.9Å; E106-R109 IonicContact OE2-NE 3.84Å; E106-R109 PolarHBondContact OE2-NE 2.78Å; E106-R109 VanDerWaalsContact OE2-NE 3.12Å; E106-R109 IonicContact OE2-NH2 2.73Å; E106-Q110 PolarHBondContact O-N 3.18Å |
| 107 | L | 66.2 | Low | 55.2 | Low | 82 Ų | 82 | 119 Ų | 119 | 43% | 0.429 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71.1 | -41.2 | 176.8 | -140.8 | 148.8 | 0 | 0 | 0 | 111.2 | T103 D104 Q105 R109 Q110 Q111 | T103-L107 PolarHBondContact O-N 3.47Å; D104-L107 WeakPolarHBondContact O-CB 3.27Å; D104-L107 PolarHBondContact O-N 2.96Å; Q105-L107 VanDerWaalsContact C-N 3.32Å; L107-R109 VanDerWaalsContact C-N 3.35Å; L107-Q110 PolarHBondContact O-N 3.36Å; L107-Q111 PolarHBondContact O-N 3.44Å |
| 108 | E | 68.6 | Low | 55 | Low | 134 Ų | 134 | 115 Ų | 115 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.5 | -39.1 | 172.9 | -172.5 | 174.2 | -168.2 | 0 | 0 | 112.2 | D104 Q110 Q111 S112 | D104-E108 PolarHBondContact O-N 2.67Å; E108-Q110 VanDerWaalsContact C-N 3.29Å; E108-Q110 PolarHBondContact O-N 2.77Å; E108-Q111 PolarHBondContact O-N 2.94Å; E108-S112 PolarHBondContact O-N 3.17Å |
| 109 | R | 64.3 | Low | 54.6 | Low | 145 Ų | 145 | 119.7 Ų | 119.7 | 55% | 0.547 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.8 | -38 | 175.9 | -162.8 | -177 | 72.6 | 83.6 | 2.6 | 112.1 | Q105 E106 L107 L113 | Q105-R109 PolarHBondContact O-N 3.15Å; E106-R109 PolarHBondContact O-N 2.84Å; E106-R109 IonicContact OE1-CZ 4Å; E106-R109 IonicContact OE1-NE 3.12Å; E106-R109 PolarHBondContact OE1-NE 2.81Å; E106-R109 VanDerWaalsContact OE1-NE 3.16Å; E106-R109 IonicContact OE1-NH2 3.4Å; E106-R109 PolarHBondContact OE1-NH2 3.12Å; E106-R109 IonicContact OE2-CZ 2.9Å; E106-R109 IonicContact OE2-NE 3.84Å; E106-R109 PolarHBondContact OE2-NE 2.78Å; E106-R109 VanDerWaalsContact OE2-NE 3.12Å; E106-R109 IonicContact OE2-NH2 2.73Å; L107-R109 VanDerWaalsContact C-N 3.35Å; R109-L113 PolarHBondContact O-N 2.98Å |
| 110 | Q | 59 | Low | 54.4 | Low | 109 Ų | 109 | 119.7 Ų | 119.7 | 51% | 0.509 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70 | -37.2 | 176.3 | -70.2 | -160.9 | 2.7 | 0 | 0 | 112.6 | E106 L107 E108 L113 | E106-Q110 PolarHBondContact O-N 3.18Å; L107-Q110 PolarHBondContact O-N 3.36Å; E108-Q110 VanDerWaalsContact C-N 3.29Å; E108-Q110 PolarHBondContact O-N 2.77Å; Q110-L113 PolarHBondContact O-N 2.73Å |
| 111 | Q | 59.1 | Low | 54.1 | Low | 127 Ų | 127 | 116.6 Ų | 116.6 | 59% | 0.593 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.5 | -37.3 | 176.8 | -67 | -175.7 | 32.3 | 0 | 0 | 112.1 | L107 E108 L113 V114 | L107-Q111 PolarHBondContact O-N 3.44Å; E108-Q111 PolarHBondContact O-N 2.94Å; Q111-L113 VanDerWaalsContact C-N 3.25Å; Q111-L113 PolarHBondContact O-N 2.91Å; Q111-V114 PolarHBondContact O-N 3.34Å |
| 112 | S | 54.1 | Low | 53.3 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 54% | 0.538 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.3 | -30.5 | 174.7 | -78.4 | 0 | 0 | 0 | 0 | 113.4 | E108 V114 | E108-S112 PolarHBondContact O-N 3.17Å; S112-V114 VanDerWaalsContact C-N 3.32Å; S112-V114 PolarHBondContact O-N 3.47Å |
| 113 | L | 53.6 | Low | 52.7 | Low | 123 Ų | 123 | 119.9 Ų | 119.9 | 64% | 0.644 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.8 | -28.5 | 179.5 | -153.7 | 80.5 | 0 | 0 | 0 | 112.5 | R109 Q110 Q111 | R109-L113 PolarHBondContact O-N 2.98Å; Q110-L113 PolarHBondContact O-N 2.73Å; Q111-L113 VanDerWaalsContact C-N 3.25Å; Q111-L113 PolarHBondContact O-N 2.91Å |
| 114 | V | 54.2 | Low | 51.2 | Low | 103 Ų | 103 | 120.2 Ų | 120.2 | 62% | 0.624 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.7 | -34.2 | -178.6 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | Q111 S112 Q116 S117 | Q111-V114 PolarHBondContact O-N 3.34Å; S112-V114 VanDerWaalsContact C-N 3.32Å; S112-V114 PolarHBondContact O-N 3.47Å; V114-Q116 VanDerWaalsContact C-N 3.31Å; V114-Q116 PolarHBondContact O-N 2.81Å; V114-S117 PolarHBondContact O-N 3.17Å; V114-S117 PolarHBondContact O-OG 2.8Å |
| 115 | V | 50.4 | Low | 49.6 | Very low | 104 Ų | 104 | 119.1 Ų | 119.1 | 63% | 0.63 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.4 | -23.1 | -176.1 | -174.7 | 0 | 0 | 0 | 0 | 113 | S117 | V115-S117 VanDerWaalsContact C-N 3.28Å; V115-S117 PolarHBondContact O-N 3.49Å |
| 116 | Q | 44 | Very low | 47.9 | Very low | 162 Ų | 162 | 117.4 Ų | 117.4 | 76% | 0.757 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -77.4 | -9.1 | -178.5 | -70.3 | -170.3 | -16.7 | 0 | 0 | 114.5 | V114 | V114-Q116 VanDerWaalsContact C-N 3.31Å; V114-Q116 PolarHBondContact O-N 2.81Å |
| 117 | S | 43.4 | Very low | 46.3 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -85.7 | -5.2 | -176 | 62.2 | 0 | 0 | 0 | 0 | 115 | V114 V115 | V114-S117 PolarHBondContact O-N 3.17Å; V114-S117 PolarHBondContact O-OG 2.8Å; V115-S117 VanDerWaalsContact C-N 3.28Å; V115-S117 PolarHBondContact O-N 3.49Å |
| 118 | S | 41.2 | Very low | 44.7 | Very low | 89 Ų | 89 | 123.8 Ų | 123.8 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -93.3 | -5.6 | -172.8 | -40.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 119 | Y | 34.7 | Very low | 43.2 | Very low | 199 Ų | 199 | 127.7 Ų | 127.7 | 78% | 0.78 | 70% | 0.699 | S | S | * | * | trans | -123.6 | 78.3 | -177.7 | -67.1 | -84 | 0 | 0 | 0 | 111.7 | ||||
| 120 | S | 37.6 | Very low | 41.9 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | -134.8 | 90.9 | 153.1 | -81.1 | 0 | 0 | 0 | 0 | 107.6 | N122 | S120-N122 PolarHBondContact O-N 3.08Å; S120-N122 VanDerWaalsContact O-N 3.13Å | ||
| 121 | P | 39.4 | Very low | 41 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | trans | -69 | 112.8 | 177.5 | 26.7 | -27.9 | 0 | 0 | 0 | 108.6 | T123 | P121-T123 PolarHBondContact O-N 3.21Š| ||
| 122 | N | 35.5 | Very low | 40.1 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 90% | 0.904 | 72% | 0.722 | S | S | * | * | trans | -47.1 | 103.9 | 164.3 | -84.5 | -26.3 | 0 | 0 | 0 | 109.6 | S120 | S120-N122 PolarHBondContact O-N 3.08Å; S120-N122 VanDerWaalsContact O-N 3.13Å | ||
| 123 | T | 38 | Very low | 39.6 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | -136.5 | 138.5 | 164.8 | 57 | 0 | 0 | 0 | 0 | 110.1 | P121 | P121-T123 PolarHBondContact O-N 3.21Š| ||
| 124 | S | 32.2 | Very low | 39.3 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | 91.4 | 84.7 | 161 | -39.7 | 0 | 0 | 0 | 0 | 116.5 | T126 | S124-T126 PolarHBondContact O-N 3.02Š| ||
| 125 | S | 32 | Very low | 38.7 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | -51.5 | 109.3 | 151.4 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 126 | T | 34.2 | Very low | 38.3 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -160.2 | 106.6 | 155.5 | 7.6 | 0 | 0 | 0 | 0 | 111.2 | S124 | S124-T126 PolarHBondContact O-N 3.02Š| ||
| 127 | N | 30.6 | Very low | 38.7 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 32 | 124.8 | 140.3 | -69 | -35.4 | 0 | 0 | 0 | 121.4 | ||||
| 128 | N | 33.1 | Very low | 38.6 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | 65.5 | 97.9 | 138.6 | -56.8 | -25.8 | 0 | 0 | 0 | 117.9 | ||||
| 129 | Y | 37.1 | Very low | 38.7 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | -177.2 | 141.6 | 97.8 | -110.4 | -98.8 | 0 | 0 | 0 | 106.2 | S131 | Y129-S131 PolarHBondContact O-N 2.99Š| |||
| 130 | F | 37.3 | Very low | 39 | Very low | 206 Ų | 206 | 148.7 Ų | 148.7 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | trans | -63.4 | 68.3 | 170.6 | -117 | -100.4 | 0 | 0 | 0 | 109.1 | D132 | F130-D132 PolarHBondContact O-N 3.3Š| ||
| 131 | S | 39.6 | Very low | 39.2 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -75.1 | 94.5 | 162.8 | -73.9 | 0 | 0 | 0 | 0 | 104.4 | Y129 S133 | Y129-S131 PolarHBondContact O-N 2.99Å; S131-S133 PolarHBondContact O-N 2.74Å | ||
| 132 | D | 40.5 | Very low | 39.4 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 53% | 0.529 | 76% | 0.763 | S | S | . | * | trans | -58.2 | 67.5 | 170.5 | -158.6 | 10.1 | 0 | 0 | 0 | 108.4 | F130 R134 | F130-D132 PolarHBondContact O-N 3.3Å; D132-R134 PolarHBondContact O-N 3.35Å; D132-R134 IonicContact OD1-NE 3.16Å; D132-R134 PolarHBondContact OD1-NE 3.24Å; D132-R134 IonicContact OD2-CZ 2.7Å; D132-R134 VanDerWaalsContact OD2-CZ 3.28Å; D132-R134 IonicContact OD2-NE 4Å; D132-R134 PolarHBondContact OD2-NE 2.87Å; D132-R134 IonicContact OD2-NH2 3.35Å; D132-R134 PolarHBondContact OD2-NH2 2.73Å | ||
| 133 | S | 44.1 | Very low | 39.6 | Very low | 88 Ų | 88 | 146.8 Ų | 146.8 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | trans | -74.8 | 62.5 | 165 | 61.7 | 0 | 0 | 0 | 0 | 106.2 | S131 N135 | S131-S133 PolarHBondContact O-N 2.74Å; S133-N135 PolarHBondContact O-N 2.94Å | ||
| 134 | R | 45.9 | Very low | 39.7 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 70% | 0.698 | 76% | 0.755 | S | S | * | * | trans | -49.3 | 94.4 | 142.2 | -80.3 | -177.4 | -101.3 | 179.3 | -3.7 | 103.8 | D132 V136 | D132-R134 PolarHBondContact O-N 3.35Å; D132-R134 IonicContact OD1-NE 3.16Å; D132-R134 PolarHBondContact OD1-NE 3.24Å; D132-R134 IonicContact OD2-CZ 2.7Å; D132-R134 VanDerWaalsContact OD2-CZ 3.28Å; D132-R134 IonicContact OD2-NE 4Å; D132-R134 PolarHBondContact OD2-NE 2.87Å; D132-R134 IonicContact OD2-NH2 3.35Å; D132-R134 PolarHBondContact OD2-NH2 2.73Å; R134-V136 PolarHBondContact O-N 3.23Å | ||
| 135 | N | 41.4 | Very low | 40 | Very low | 146 Ų | 146 | 150.5 Ų | 150.5 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -48.4 | 95.5 | 168.1 | -81.2 | -58.2 | 0 | 0 | 0 | 104.5 | S133 R137 | S133-N135 PolarHBondContact O-N 2.94Å; N135-R137 PolarHBondContact O-N 3.47Å | ||
| 136 | V | 43.5 | Very low | 40.2 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | -64.3 | 77.8 | 165.4 | -97.4 | 0 | 0 | 0 | 0 | 103.1 | R134 K138 | R134-V136 PolarHBondContact O-N 3.23Å; V136-K138 PolarHBondContact O-N 3.4Å | ||
| 137 | R | 51.7 | Low | 40.5 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | -57.3 | 95.1 | 161.6 | -165.8 | 175.5 | -77 | -165.6 | -3.5 | 101.4 | N135 Y139 | N135-R137 PolarHBondContact O-N 3.47Å; R137-Y139 HydrophobicContact CB-CE2 4.34Å; R137-Y139 WeakPolarHBondContact O-CD2 3.24Å; R137-Y139 PolarHBondContact O-N 3.23Å | ||
| 138 | K | 41.9 | Very low | 41.2 | Very low | 194 Ų | 194 | 148 Ų | 148 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -59.1 | 92.7 | 177.3 | -77.4 | 179.5 | 177.1 | 177.8 | 0 | 105 | V136 R140 | V136-K138 PolarHBondContact O-N 3.4Å; K138-R140 VanDerWaalsContact C-N 3.32Å; K138-R140 PolarHBondContact O-N 2.94Å | ||
| 139 | Y | 42.7 | Very low | 41.4 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | -62.8 | 103.8 | 167.2 | -71.1 | -84.7 | 0 | 0 | 0 | 104.7 | R137 S141 | R137-Y139 HydrophobicContact CB-CE2 4.34Å; R137-Y139 WeakPolarHBondContact O-CD2 3.24Å; R137-Y139 PolarHBondContact O-N 3.23Å; Y139-S141 PolarHBondContact O-N 3.18Å | ||
| 140 | R | 40.3 | Very low | 41.6 | Very low | 243 Ų | 243 | 151.7 Ų | 151.7 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | -55.3 | 115.7 | 162.2 | -97.6 | -177 | 170.9 | 162.1 | -2.8 | 105.3 | K138 A142 | K138-R140 VanDerWaalsContact C-N 3.32Å; K138-R140 PolarHBondContact O-N 2.94Å; R140-A142 PolarHBondContact O-N 3.07Å | ||
| 141 | S | 42.9 | Very low | 41.7 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -47.8 | 123.8 | 173.4 | -56.8 | 0 | 0 | 0 | 0 | 108.9 | Y139 N143 | Y139-S141 PolarHBondContact O-N 3.18Å; S141-N143 PolarHBondContact O-N 3.05Å | ||
| 142 | A | 43.6 | Very low | 41.6 | Very low | 97 Ų | 97 | 156.9 Ų | 156.9 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -72 | 67.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | R140 | R140-A142 PolarHBondContact O-N 3.07Š| ||
| 143 | N | 39.9 | Very low | 41.8 | Very low | 152 Ų | 152 | 158 Ų | 158 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -102.3 | 60.3 | 167.4 | -78 | 17 | 0 | 0 | 0 | 108.9 | S141 | S141-N143 PolarHBondContact O-N 3.05Š| ||
| 144 | S | 38.5 | Very low | 41.8 | Very low | 90 Ų | 90 | 161.7 Ų | 161.7 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | trans | -162.7 | 55.9 | 170.2 | 70 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 145 | F | 39.4 | Very low | 41.6 | Very low | 207 Ų | 207 | 161.7 Ų | 161.7 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | trans | -136.7 | 85.1 | 152.9 | -87.2 | -79 | 0 | 0 | 0 | 107.7 | ||||
| 146 | S | 36.3 | Very low | 41.6 | Very low | 103 Ų | 103 | 160.6 Ų | 160.6 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -54.7 | 131.6 | 161.4 | -46 | 0 | 0 | 0 | 0 | 107.8 | S148 | S146-S148 PolarHBondContact O-N 2.85Š| ||
| 147 | P | 40.3 | Very low | 41.5 | Very low | 119 Ų | 119 | 160.4 Ų | 160.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -68.5 | 96.3 | 176.4 | 26.2 | -30 | 0 | 0 | 0 | 108.3 | E149 | P147-E149 PolarHBondContact O-N 3.31Å; P147-E149 VanDerWaalsContact O-N 3.13Å | ||
| 148 | S | 44.8 | Very low | 40.9 | Very low | 107 Ų | 107 | 157.2 Ų | 157.2 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -64.7 | 110.9 | 167.8 | 46.1 | 0 | 0 | 0 | 0 | 107.9 | S146 W150 | S146-S148 PolarHBondContact O-N 2.85Å; S148-W150 PolarHBondContact O-N 2.75Å | ||
| 149 | E | 38.1 | Very low | 40.7 | Very low | 181 Ų | 181 | 155.4 Ų | 155.4 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 2.5 | 103.8 | 164.5 | -75.1 | 171.4 | 140.5 | 0 | 0 | 114.4 | P147 R151 | P147-E149 PolarHBondContact O-N 3.31Å; P147-E149 VanDerWaalsContact O-N 3.13Å; E149-R151 VanDerWaalsContact C-N 3.34Å; E149-R151 PolarHBondContact O-N 3.19Å | ||
| 150 | W | 40.1 | Very low | 40.3 | Very low | 248 Ų | 248 | 153.3 Ų | 153.3 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | trans | -60.5 | 102 | 163.5 | -75.4 | 86.3 | 0 | 0 | 0 | 107.7 | S148 | S148-W150 PolarHBondContact O-N 2.75Š| ||
| 151 | R | 39.6 | Very low | 40.1 | Very low | 236 Ų | 236 | 147 Ų | 147 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 143.9 | 173.2 | -77.4 | -157.3 | -171.7 | -117.1 | 8.1 | 110.4 | E149 | E149-R151 VanDerWaalsContact C-N 3.34Å; E149-R151 PolarHBondContact O-N 3.19Å |
| 152 | E | 38.7 | Very low | 39.8 | Very low | 178 Ų | 178 | 153.4 Ų | 153.4 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -52 | 145 | -174.2 | -67 | 170.6 | 156.1 | 0 | 0 | 113.3 | I154 | E152-I154 PolarHBondContact O-N 3.19Š|
| 153 | P | 43.4 | Very low | 39.5 | Very low | 124 Ų | 124 | 156.7 Ų | 156.7 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 126.8 | -174.9 | -20.2 | 31 | 0 | 0 | 0 | 112.1 | K155 | P153-K155 PolarHBondContact O-N 3.3Š|
| 154 | I | 45.3 | Very low | 39.6 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 121.6 | 172.7 | -59.8 | 166.5 | 0 | 0 | 0 | 108.1 | E152 | E152-I154 PolarHBondContact O-N 3.19Š|
| 155 | K | 41.4 | Very low | 39.2 | Very low | 184 Ų | 184 | 155.3 Ų | 155.3 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 130.5 | -179.1 | -71.6 | 176.4 | 179.1 | 176.1 | 0 | 110.2 | P153 T157 | P153-K155 PolarHBondContact O-N 3.3Å; K155-T157 PolarHBondContact O-N 3.01Å; K155-T157 VanDerWaalsContact O-N 3.08Å |
| 156 | P | 41.8 | Very low | 39 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -63.2 | 115.9 | -179.8 | 24.7 | -31.9 | 0 | 0 | 0 | 109.2 | T158 | P156-T158 PolarHBondContact O-N 3.42Š| ||
| 157 | T | 41.2 | Very low | 38.7 | Very low | 125 Ų | 125 | 156 Ų | 156 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -71.4 | 119.8 | 173 | -46.3 | 0 | 0 | 0 | 0 | 107.4 | K155 I159 | K155-T157 PolarHBondContact O-N 3.01Å; K155-T157 VanDerWaalsContact O-N 3.08Å; T157-I159 PolarHBondContact O-N 3.41Å | ||
| 158 | T | 38.5 | Very low | 38.4 | Very low | 126 Ų | 126 | 155.4 Ų | 155.4 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -58 | 100.8 | 178.9 | -51.9 | 0 | 0 | 0 | 0 | 110.1 | P156 L160 | P156-T158 PolarHBondContact O-N 3.42Å; T158-L160 PolarHBondContact O-N 3.12Å | ||
| 159 | I | 37.3 | Very low | 37.7 | Very low | 157 Ų | 157 | 154.8 Ų | 154.8 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -76.6 | 104.5 | 173.8 | -57 | 175.5 | 0 | 0 | 0 | 107 | T157 S161 | T157-I159 PolarHBondContact O-N 3.41Å; I159-S161 PolarHBondContact O-N 3.16Å | ||
| 160 | L | 34.8 | Very low | 37.5 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -58.2 | 132.4 | 171.5 | -77.3 | 162.2 | 0 | 0 | 0 | 109.9 | T158 R162 | T158-L160 PolarHBondContact O-N 3.12Å; L160-R162 PolarHBondContact O-N 3.02Å; L160-R162 VanDerWaalsContact O-N 3.12Å | ||
| 161 | S | 36.4 | Very low | 37.4 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -59.8 | 114.2 | -179.3 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | I159 Q163 | I159-S161 PolarHBondContact O-N 3.16Å; S161-Q163 PolarHBondContact O-N 2.96Å | ||
| 162 | R | 37.1 | Very low | 37.1 | Very low | 237 Ų | 237 | 137.8 Ų | 137.8 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -66.8 | 117.2 | 173.5 | -65.5 | 175.7 | 75.6 | 149.9 | 1 | 108 | L160 | L160-R162 PolarHBondContact O-N 3.02Å; L160-R162 VanDerWaalsContact O-N 3.12Å | ||
| 163 | Q | 36.1 | Very low | 37.1 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -59.9 | 135.5 | 173.9 | -72.3 | -162.1 | -42.9 | 0 | 0 | 110 | S161 S165 | S161-Q163 PolarHBondContact O-N 2.96Å; Q163-S165 PolarHBondContact O-N 2.79Å; Q163-S165 VanDerWaalsContact O-N 3.09Å | ||
| 164 | P | 41.8 | Very low | 36.6 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -79.1 | 94.1 | 177.5 | 31.3 | -30.7 | 0 | 0 | 0 | 108.4 | ||||
| 165 | S | 30.3 | Very low | 36.3 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 55% | 0.545 | 79% | 0.794 | S | S | . | * | trans | -110 | 146 | 168.7 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | Q163 | Q163-S165 PolarHBondContact O-N 2.79Å; Q163-S165 VanDerWaalsContact O-N 3.09Å | ||
| 166 | F | 35.7 | Very low | 35.9 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 90.6 | 79.2 | 178.7 | -46.5 | -64.7 | 0 | 0 | 0 | 116 | S168 | F166-S168 PolarHBondContact O-N 3.39Å; F166-S168 VanDerWaalsContact O-N 3.16Å | ||
| 167 | S | 30.6 | Very low | 35.4 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -46.2 | 105.7 | 142.3 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 168 | S | 33.4 | Very low | 35.2 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 117.2 | 160.6 | 53.1 | 0 | 0 | 0 | 0 | 107.6 | F166 S170 | F166-S168 PolarHBondContact O-N 3.39Å; F166-S168 VanDerWaalsContact O-N 3.16Å; S168-S170 PolarHBondContact O-N 3.23Å; S168-S170 VanDerWaalsContact O-N 3.11Å |
| 169 | A | 31.1 | Very low | 34.8 | Very low | 94 Ų | 94 | 150.1 Ų | 150.1 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 117.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 170 | S | 32.4 | Very low | 34.8 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 131.6 | 168.9 | -67.5 | 0 | 0 | 0 | 0 | 108.2 | S168 A172 | S168-S170 PolarHBondContact O-N 3.23Å; S168-S170 VanDerWaalsContact O-N 3.11Å; S170-A172 PolarHBondContact O-N 2.82Å |
| 171 | P | 37.8 | Very low | 34.9 | Very low | 105 Ų | 105 | 147 Ų | 147 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 128.5 | -176.7 | -17.3 | 28.7 | 0 | 0 | 0 | 109 | W173 | P171-W173 PolarHBondContact O-N 3.43Š|
| 172 | A | 34.8 | Very low | 34.6 | Very low | 91 Ų | 91 | 148.8 Ų | 148.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -62.4 | 109 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108 | S170 K174 | S170-A172 PolarHBondContact O-N 2.82Å; A172-K174 PolarHBondContact O-N 2.8Å | ||
| 173 | W | 37.9 | Very low | 34.5 | Very low | 231 Ų | 231 | 142.1 Ų | 142.1 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -66.9 | 103 | 173.8 | -68.2 | 17.9 | 0 | 0 | 0 | 105.7 | P171 D175 | P171-W173 PolarHBondContact O-N 3.43Å; W173-D175 PolarHBondContact O-N 2.94Å; W173-D175 VanDerWaalsContact O-N 3.16Å | ||
| 174 | K | 33 | Very low | 34.3 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -57.8 | 120.9 | 170.9 | -65 | 178.6 | 178 | -175.3 | 0 | 106.1 | A172 R176 | A172-K174 PolarHBondContact O-N 2.8Å; K174-R176 PolarHBondContact O-N 2.71Å | ||
| 175 | D | 38.1 | Very low | 34.1 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -52.5 | 83.2 | 168.2 | -69.2 | -46.6 | 0 | 0 | 0 | 108.8 | W173 E177 | W173-D175 PolarHBondContact O-N 2.94Å; W173-D175 VanDerWaalsContact O-N 3.16Å; D175-E177 PolarHBondContact O-N 3.05Å | ||
| 176 | R | 33.7 | Very low | 34.4 | Very low | 224 Ų | 224 | 144.3 Ų | 144.3 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -79.2 | 104.8 | 166.5 | -88.3 | -174 | 172.7 | -172.8 | -2 | 105 | K174 I178 | K174-R176 PolarHBondContact O-N 2.71Å; R176-I178 PolarHBondContact O-N 3.29Å | ||
| 177 | E | 32 | Very low | 34.6 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -37.1 | 112.8 | 163.8 | -73.8 | 178.8 | 148 | 0 | 0 | 109.2 | D175 I179 | D175-E177 PolarHBondContact O-N 3.05Å; E177-I179 VanDerWaalsContact C-N 3.26Å; E177-I179 PolarHBondContact O-N 3.36Å | ||
| 178 | I | 36.9 | Very low | 35 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -73.8 | 91.8 | 174.1 | -59.4 | 169.5 | 0 | 0 | 0 | 104.9 | R176 P180 | R176-I178 PolarHBondContact O-N 3.29Å; I178-P180 VanDerWaalsContact O-CD 3.24Å; I178-P180 WeakPolarHBondContact O-CD 3.11Å; I178-P180 VanDerWaalsContact O-N 3.17Å | ||
| 179 | I | 29.4 | Very low | 35 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | -58.9 | 117 | 167.7 | -60.7 | 170 | 0 | 0 | 0 | 106 | E177 V181 | E177-I179 VanDerWaalsContact C-N 3.26Å; E177-I179 PolarHBondContact O-N 3.36Å; I179-V181 VanDerWaalsContact C-N 3.3Å; I179-V181 PolarHBondContact O-N 3.22Å | ||
| 180 | P | 37.5 | Very low | 35.5 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -70.7 | 93 | 177.6 | 28.1 | -30.9 | 0 | 0 | 0 | 107.8 | I178 N182 | I178-P180 VanDerWaalsContact O-CD 3.24Å; I178-P180 WeakPolarHBondContact O-CD 3.11Å; I178-P180 VanDerWaalsContact O-N 3.17Å; P180-N182 PolarHBondContact O-N 3.48Å | ||
| 181 | V | 37.6 | Very low | 35.7 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -65.4 | 107.1 | 167.7 | 169.2 | 0 | 0 | 0 | 0 | 106.6 | I179 A183 | I179-V181 VanDerWaalsContact C-N 3.3Å; I179-V181 PolarHBondContact O-N 3.22Å; V181-A183 PolarHBondContact O-N 2.7Å | ||
| 182 | N | 29 | Very low | 35.9 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -6.7 | 84.4 | 166.3 | -82.1 | -28.6 | 0 | 0 | 0 | 114.3 | P180 N184 | P180-N182 PolarHBondContact O-N 3.48Å; N182-N184 PolarHBondContact O-N 3.2Å | ||
| 183 | A | 35.9 | Very low | 36.1 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -89.3 | 63 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | V181 D185 | V181-A183 PolarHBondContact O-N 2.7Å; A183-D185 PolarHBondContact O-N 3.16Å; A183-D185 VanDerWaalsContact O-N 3.15Å | ||
| 184 | N | 32.3 | Very low | 36.4 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -74.9 | 83.7 | 150.3 | -87.8 | -24.8 | 0 | 0 | 0 | 105.4 | N182 | N182-N184 PolarHBondContact O-N 3.2Š| ||
| 185 | D | 36.6 | Very low | 36.7 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -162.9 | 105.2 | 149.8 | -98.1 | -20.3 | 0 | 0 | 0 | 108.2 | A183 | A183-D185 PolarHBondContact O-N 3.16Å; A183-D185 VanDerWaalsContact O-N 3.15Å |
| 186 | D | 38 | Very low | 36.9 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 52.7 | 91.9 | 162.9 | -64 | -22.4 | 0 | 0 | 0 | 117.2 | M188 | D186-M188 VanDerWaalsContact C-N 3.29Å; D186-M188 PolarHBondContact O-N 3.12Å | ||
| 187 | S | 38.6 | Very low | 37.7 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | -44.4 | 95.2 | 150.9 | 60.8 | 0 | 0 | 0 | 0 | 109.9 | N189 | S187-N189 PolarHBondContact O-N 3.45Š| ||
| 188 | M | 38.7 | Very low | 38.5 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 70% | 0.704 | 71% | 0.713 | S | S | * | * | trans | -62.9 | 97 | 164.9 | -73.9 | -71.8 | -175.9 | 0 | 0 | 106.5 | D186 K190 | D186-M188 VanDerWaalsContact C-N 3.29Å; D186-M188 PolarHBondContact O-N 3.12Å; M188-K190 PolarHBondContact O-N 3.38Å | ||
| 189 | N | 34 | Very low | 38.9 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 60% | 0.604 | 70% | 0.699 | S | S | * | * | trans | -42 | 120.2 | 172.6 | -179.7 | 2.1 | 0 | 0 | 0 | 108.9 | S187 N191 | S187-N189 PolarHBondContact O-N 3.45Å; N189-N191 VanDerWaalsContact ND2-CG 3.27Å; N189-N191 PolarHBondContact ND2-ND2 3.33Å; N189-N191 PolarHBondContact ND2-OD1 3.21Å; N189-N191 PolarHBondContact O-N 3.26Å; N189-N191 PolarHBondContact OD1-N 3.1Å; N189-N191 PolarHBondContact OD1-OD1 3.43Å | ||
| 190 | K | 40.9 | Very low | 39.9 | Very low | 196 Ų | 196 | 125.2 Ų | 125.2 | 85% | 0.852 | 68% | 0.681 | S | S | * | * | trans | -73.4 | 46.6 | 178.8 | -60 | 179.9 | -177.7 | 178.6 | 0 | 110.9 | M188 T192 | M188-K190 PolarHBondContact O-N 3.38Å; K190-T192 PolarHBondContact O-N 3.02Å; K190-T192 VanDerWaalsContact O-N 3.08Å | ||
| 191 | N | 37.1 | Very low | 40.4 | Very low | 95 Ų | 95 | 121.4 Ų | 121.4 | 51% | 0.508 | 65% | 0.654 | S | S | . | * | trans | -70.2 | 104 | 166.5 | -75.9 | -3.9 | 0 | 0 | 0 | 106.7 | N189 D193 | N189-N191 VanDerWaalsContact ND2-CG 3.27Å; N189-N191 PolarHBondContact ND2-ND2 3.33Å; N189-N191 PolarHBondContact ND2-OD1 3.21Å; N189-N191 PolarHBondContact O-N 3.26Å; N189-N191 PolarHBondContact OD1-N 3.1Å; N189-N191 PolarHBondContact OD1-OD1 3.43Å; N191-D193 PolarHBondContact O-N 3.09Å | ||
| 192 | T | 43 | Very low | 41.1 | Very low | 142 Ų | 142 | 121.8 Ų | 121.8 | 87% | 0.871 | 65% | 0.645 | S | S | * | * | trans | -64.6 | 30 | 173 | 22.2 | 0 | 0 | 0 | 0 | 113.8 | K190 I194 | K190-T192 PolarHBondContact O-N 3.02Å; K190-T192 VanDerWaalsContact O-N 3.08Å; T192-I194 PolarHBondContact O-N 3.18Å | ||
| 193 | D | 39.2 | Very low | 42.2 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 67% | 0.674 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -80.5 | 90.9 | 171.9 | -70.5 | -30.8 | 0 | 0 | 0 | 108.2 | N191 Y195 | N191-D193 PolarHBondContact O-N 3.09Å; D193-Y195 VanDerWaalsContact C-N 3.34Å; D193-Y195 PolarHBondContact O-N 3.2Å |
| 194 | I | 43.2 | Very low | 42.9 | Very low | 162 Ų | 162 | 121.1 Ų | 121.1 | 83% | 0.831 | 62% | 0.617 | S | S | * | * | trans | 31.2 | 68.9 | 152.4 | -49.8 | 173.5 | 0 | 0 | 0 | 111.2 | T192 E196 | T192-I194 PolarHBondContact O-N 3.18Å; I194-E196 VanDerWaalsContact C-N 3.26Å; I194-E196 PolarHBondContact O-N 3.44Å | ||
| 195 | Y | 38.5 | Very low | 44 | Very low | 157 Ų | 157 | 118.6 Ų | 118.6 | 62% | 0.616 | 60% | 0.603 | S | S | * | * | trans | -70.8 | 88.8 | -178.2 | -136 | -99.2 | 0 | 0 | 0 | 107.6 | D193 P197 F200 | D193-Y195 VanDerWaalsContact C-N 3.34Å; D193-Y195 PolarHBondContact O-N 3.2Å; Y195-P197 VanDerWaalsContact O-CD 3.24Å; Y195-P197 WeakPolarHBondContact O-CD 3.34Å; Y195-P197 VanDerWaalsContact O-N 3.11Å; Y195-F200 HydrophobicContact CE1-CB 4.05Å; Y195-F200 AromaticContact CE1-CD2 3.63Å; Y195-F200 HydrophobicContact CE1-CD2 3.63Å; Y195-F200 HydrophobicContact CE1-CE2 4.3Å; Y195-F200 AromaticContact CE1-CG 3.99Å; Y195-F200 HydrophobicContact CE1-CG 3.99Å | ||
| 196 | E | 44 | Very low | 44.8 | Very low | 112 Ų | 112 | 116.1 Ų | 116.1 | 52% | 0.523 | 60% | 0.597 | S | S | . | * | trans | -64.5 | 110.9 | 179.5 | -163.9 | -180 | -146 | 0 | 0 | 107.5 | I194 E198 V199 | I194-E196 VanDerWaalsContact C-N 3.26Å; I194-E196 PolarHBondContact O-N 3.44Å; E196-E198 PolarHBondContact O-N 2.89Å; E196-V199 HydrophobicContact CB-CG2 4.36Å; E196-V199 PolarHBondContact O-N 3.34Å | ||
| 197 | P | 49.7 | Very low | 45.6 | Very low | 82 Ų | 82 | 116.4 Ų | 116.4 | 53% | 0.532 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -58.4 | -26.8 | -169.2 | 21.4 | -32.3 | 0 | 0 | 0 | 112 | Y195 V199 F200 I201 | Y195-P197 VanDerWaalsContact O-CD 3.24Å; Y195-P197 WeakPolarHBondContact O-CD 3.34Å; Y195-P197 VanDerWaalsContact O-N 3.11Å; P197-V199 PolarHBondContact O-N 2.9Å; P197-F200 PolarHBondContact O-N 2.88Å; P197-I201 WeakPolarHBondContact O-CD1 3.49Å; P197-I201 VanDerWaalsContact O-CG1 3.27Å; P197-I201 WeakPolarHBondContact O-CG1 3.39Å; P197-I201 PolarHBondContact O-N 3.02Å |
| 198 | E | 47.7 | Very low | 46 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 52% | 0.523 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62 | -39.9 | 178.3 | -62.2 | -165.8 | -175.4 | 0 | 0 | 114.1 | E196 K202 | E196-E198 PolarHBondContact O-N 2.89Å; E198-K202 VanDerWaalsContact O-CG 3.32Å; E198-K202 WeakPolarHBondContact O-CG 3.25Å; E198-K202 PolarHBondContact O-N 2.69Å; E198-K202 VanDerWaalsContact O-N 3.16Å; E198-K202 IonicContact OE2-NZ 3.21Å |
| 199 | V | 46.6 | Very low | 46.4 | Very low | 88 Ų | 88 | 109.1 Ų | 109.1 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.3 | -40.8 | -177.5 | 178.6 | 0 | 0 | 0 | 0 | 110 | E196 P197 K202 K203 | E196-V199 HydrophobicContact CB-CG2 4.36Å; E196-V199 PolarHBondContact O-N 3.34Å; P197-V199 PolarHBondContact O-N 2.9Å; V199-K202 PolarHBondContact O-N 3.26Å; V199-K203 PolarHBondContact O-N 3.16Å; V199-K203 VanDerWaalsContact O-N 3.09Å |
| 200 | F | 49.5 | Very low | 47 | Very low | 71 Ų | 71 | 107.1 Ų | 107.1 | 31% | 0.311 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.3 | -42.3 | -179.3 | -167.3 | -102.2 | 0 | 0 | 0 | 112.2 | Y195 P197 K202 K203 K204 | Y195-F200 HydrophobicContact CE1-CB 4.05Å; Y195-F200 AromaticContact CE1-CD2 3.63Å; Y195-F200 HydrophobicContact CE1-CD2 3.63Å; Y195-F200 HydrophobicContact CE1-CE2 4.3Å; Y195-F200 AromaticContact CE1-CG 3.99Å; Y195-F200 HydrophobicContact CE1-CG 3.99Å; P197-F200 PolarHBondContact O-N 2.88Å; F200-K202 PolarHBondContact O-N 3.26Å; F200-K203 PolarHBondContact O-N 3.37Å; F200-K204 HydrophobicContact CD1-CG 4.29Å; F200-K204 HydrophobicContact CE1-CG 3.99Å; F200-K204 HydrophobicContact CZ-CG 4.32Å; F200-K204 WeakPolarHBondContact O-CG 3.24Å; F200-K204 PolarHBondContact O-N 2.85Å; F200-K204 VanDerWaalsContact O-N 3.09Å |
| 201 | I | 48.5 | Very low | 47.1 | Very low | 35 Ų | 35 | 99.2 Ų | 99.2 | 18% | 0.179 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 177.2 | -64 | 161.1 | 0 | 0 | 0 | 110.5 | I9 P197 K203 K204 L205 | I9-I201 HydrophobicContact CB-CD1 3.93Å; I9-I201 HydrophobicContact CB-CG1 4.37Å; I9-I201 HydrophobicContact CD1-CD1 3.46Å; I9-I201 VanDerWaalsContact CD1-CD1 3.46Å; I9-I201 HydrophobicContact CG1-CD1 4.26Å; I9-I201 HydrophobicContact CG2-CD1 3.79Å; I9-I201 HydrophobicContact CG2-CG1 3.88Å; P197-I201 WeakPolarHBondContact O-CD1 3.49Å; P197-I201 VanDerWaalsContact O-CG1 3.27Å; P197-I201 WeakPolarHBondContact O-CG1 3.39Å; P197-I201 PolarHBondContact O-N 3.02Å; I201-K203 VanDerWaalsContact C-N 3.35Å; I201-K203 PolarHBondContact O-N 3.39Å; I201-K204 PolarHBondContact O-N 3.23Å; I201-L205 HydrophobicContact CG2-CD1 3.7Å; I201-L205 HydrophobicContact CG2-CG 4.15Å; I201-L205 WeakPolarHBondContact O-CG 3.49Å; I201-L205 PolarHBondContact O-N 2.94Å |
| 202 | K | 52 | Low | 47.5 | Very low | 134 Ų | 134 | 99.5 Ų | 99.5 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.8 | -44.7 | 177.9 | -74.6 | 169.5 | -174.7 | 160.8 | 0 | 111.9 | E198 V199 F200 K204 L205 S206 | E198-K202 VanDerWaalsContact O-CG 3.32Å; E198-K202 WeakPolarHBondContact O-CG 3.25Å; E198-K202 PolarHBondContact O-N 2.69Å; E198-K202 VanDerWaalsContact O-N 3.16Å; E198-K202 IonicContact OE2-NZ 3.21Å; V199-K202 PolarHBondContact O-N 3.26Å; F200-K202 PolarHBondContact O-N 3.26Å; K202-K204 VanDerWaalsContact C-N 3.34Å; K202-K204 PolarHBondContact O-N 3.28Å; K202-L205 PolarHBondContact O-N 3.05Å; K202-S206 PolarHBondContact O-N 3.23Å |
| 203 | K | 53.3 | Low | 47.7 | Very low | 158 Ų | 158 | 97 Ų | 97 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -42.3 | 178.3 | -170.6 | 175.8 | 179.1 | 179.5 | 0 | 111.3 | V199 F200 I201 S206 | V199-K203 PolarHBondContact O-N 3.16Å; V199-K203 VanDerWaalsContact O-N 3.09Å; F200-K203 PolarHBondContact O-N 3.37Å; I201-K203 VanDerWaalsContact C-N 3.35Å; I201-K203 PolarHBondContact O-N 3.39Å; K203-S206 PolarHBondContact O-OG 3.11Å |
| 204 | K | 50.2 | Low | 47.9 | Very low | 73 Ų | 73 | 95.7 Ų | 95.7 | 32% | 0.317 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 178.7 | -70.2 | -70.3 | -178.1 | -179.5 | 0 | 112.3 | F200 I201 K202 S206 Q207 H211 | F200-K204 HydrophobicContact CD1-CG 4.29Å; F200-K204 HydrophobicContact CE1-CG 3.99Å; F200-K204 HydrophobicContact CZ-CG 4.32Å; F200-K204 WeakPolarHBondContact O-CG 3.24Å; F200-K204 PolarHBondContact O-N 2.85Å; F200-K204 VanDerWaalsContact O-N 3.09Å; I201-K204 PolarHBondContact O-N 3.23Å; K202-K204 VanDerWaalsContact C-N 3.34Å; K202-K204 PolarHBondContact O-N 3.28Å; K204-S206 PolarHBondContact O-N 3.09Å; K204-S206 VanDerWaalsContact O-N 3.12Å; K204-Q207 PolarHBondContact O-N 3.31Å; K204-Q207 VanDerWaalsContact O-N 3.16Å; K204-H211 VanDerWaalsContact C-CE1 3.43Å; K204-H211 PolarHBondContact O-CE1 3.13Å; K204-H211 PolarHBondContact O-NE2 3.32Å; K204-H211 VanDerWaalsContact O-NE2 3.13Å |
| 205 | L | 54.7 | Low | 48 | Very low | 93 Ų | 93 | 92.7 Ų | 92.7 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59 | -27.9 | 179.1 | -70.1 | 173.1 | 0 | 0 | 0 | 114 | I201 K202 Q207 H211 | I201-L205 HydrophobicContact CG2-CD1 3.7Å; I201-L205 HydrophobicContact CG2-CG 4.15Å; I201-L205 WeakPolarHBondContact O-CG 3.49Å; I201-L205 PolarHBondContact O-N 2.94Å; K202-L205 PolarHBondContact O-N 3.05Å; L205-Q207 PolarHBondContact O-N 3.16Å; L205-H211 HydrophobicContact CD2-CB 3.85Å |
| 206 | S | 53.6 | Low | 48.2 | Very low | 95 Ų | 95 | 90.4 Ų | 90.4 | 66% | 0.664 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -14.8 | 179.7 | 71.1 | 0 | 0 | 0 | 0 | 114.7 | K202 K203 K204 G208 | K202-S206 PolarHBondContact O-N 3.23Å; K203-S206 PolarHBondContact O-OG 3.11Å; K204-S206 PolarHBondContact O-N 3.09Å; K204-S206 VanDerWaalsContact O-N 3.12Å; S206-G208 VanDerWaalsContact C-N 3.27Å; S206-G208 PolarHBondContact O-N 2.89Å |
| 207 | Q | 54.3 | Low | 47.9 | Very low | 139 Ų | 139 | 92.8 Ų | 92.8 | 65% | 0.65 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 11.4 | -175.9 | -65.3 | -170.8 | -49 | 0 | 0 | 114.6 | K204 L205 S209 | K204-Q207 PolarHBondContact O-N 3.31Å; K204-Q207 VanDerWaalsContact O-N 3.16Å; L205-Q207 PolarHBondContact O-N 3.16Å; Q207-S209 PolarHBondContact O-N 3.45Å |
| 208 | G | 48.4 | Very low | 47.5 | Very low | 75 Ų | 75 | 91.9 Ų | 91.9 | 77% | 0.773 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 69.1 | 0.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S206 | S206-G208 VanDerWaalsContact C-N 3.27Å; S206-G208 PolarHBondContact O-N 2.89Å |
| 209 | S | 46.6 | Very low | 47.4 | Very low | 34 Ų | 34 | 98.3 Ų | 98.3 | 24% | 0.238 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -80.7 | 145.4 | 172.6 | 29.8 | 0 | 0 | 0 | 0 | 110.7 | Q207 H211 | Q207-S209 PolarHBondContact O-N 3.45Å; S209-H211 PolarHBondContact O-CE1 3.2Å; S209-H211 PolarHBondContact O-N 2.94Å; S209-H211 PolarHBondContact O-ND1 3.35Å; S209-H211 PolarHBondContact OG-CE1 3.09Å |
| 210 | N | 47.3 | Very low | 47 | Very low | 70 Ų | 70 | 101.4 Ų | 101.4 | 37% | 0.374 | 52% | 0.523 | S | S | . | . | trans | -68.5 | 132.6 | 169 | -51.1 | -55.4 | 0 | 0 | 0 | 107.8 | D14 N34 | D14-N210 WeakPolarHBondContact OD2-CB 3.32Å; D14-N210 PolarHBondContact OD2-ND2 2.98Å; N34-N210 PolarHBondContact ND2-OD1 3.08Å | ||
| 211 | H | 41.7 | Very low | 46.2 | Very low | 31 Ų | 31 | 102.8 Ų | 102.8 | 14% | 0.144 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.3 | 179.7 | -66.6 | 82.3 | 0 | 0 | 0 | 108.8 | K204 L205 S209 | K204-H211 VanDerWaalsContact C-CE1 3.43Å; K204-H211 PolarHBondContact O-CE1 3.13Å; K204-H211 PolarHBondContact O-NE2 3.32Å; K204-H211 VanDerWaalsContact O-NE2 3.13Å; L205-H211 HydrophobicContact CD2-CB 3.85Å; S209-H211 PolarHBondContact O-CE1 3.2Å; S209-H211 PolarHBondContact O-N 2.94Å; S209-H211 PolarHBondContact O-ND1 3.35Å; S209-H211 PolarHBondContact OG-CE1 3.09Å |
| 212 | Y | 44.9 | Very low | 45.8 | Very low | 100 Ų | 100 | 110.5 Ų | 110.5 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.6 | 170.4 | -63.4 | -83.5 | 0 | 0 | 0 | 109.4 | S11 D14 V29 | S11-Y212 WeakPolarHBondContact CA-O 3.44Å; D14-Y212 WeakPolarHBondContact OD1-CE2 3.33Å; V29-Y212 HydrophobicContact CG1-CD1 4.34Å; V29-Y212 HydrophobicContact CG1-CE1 4.2Å |
| 213 | I | 48.9 | Very low | 45.5 | Very low | 89 Ų | 89 | 109.4 Ų | 109.4 | 46% | 0.456 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.2 | 109.8 | 175.5 | -63.6 | 174.9 | 0 | 0 | 0 | 107.4 | I9 I215 | I9-I213 HydrophobicContact CB-CG2 4.19Å; I9-I213 HydrophobicContact CD1-CG2 4.42Å; I9-I213 HydrophobicContact CG1-CG2 3.83Å; I9-I213 HydrophobicContact CG2-CB 4.23Å; I9-I213 HydrophobicContact CG2-CD1 4.26Å; I9-I213 HydrophobicContact CG2-CG1 3.83Å; I9-I213 HydrophobicContact CG2-CG2 3.69Å; I213-I215 HydrophobicContact CG2-CG1 4.01Å |
| 214 | Y | 42.6 | Very low | 45.1 | Very low | 100 Ų | 100 | 106.8 Ų | 106.8 | 39% | 0.392 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.4 | 173.1 | -65.4 | -86.2 | 0 | 0 | 0 | 109.8 | I12 | I12-Y214 HydrophobicContact CD1-CE2 3.87Å; I12-Y214 HydrophobicContact CG1-CE2 4.35Å |
| 215 | I | 46.2 | Very low | 44.8 | Very low | 98 Ų | 98 | 108.7 Ų | 108.7 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | trans | -110.8 | 107.7 | 174.8 | -56 | 174.1 | 0 | 0 | 0 | 107.3 | I7 I213 | I7-I215 HydrophobicContact CG2-CG2 4.4Å; I213-I215 HydrophobicContact CG2-CG1 4.01Å | ||
| 216 | T | 42.5 | Very low | 44.2 | Very low | 109 Ų | 109 | 109.6 Ų | 109.6 | 67% | 0.669 | 61% | 0.611 | S | S | * | * | trans | -95.1 | 122.5 | 176.8 | 38.4 | 0 | 0 | 0 | 0 | 111 | G218 | T216-G218 PolarHBondContact O-N 3.12Š| ||
| 217 | H | 37.7 | Very low | 43.6 | Very low | 163 Ų | 163 | 110.5 Ų | 110.5 | 76% | 0.755 | 61% | 0.608 | S | S | * | * | trans | -86.2 | 98.2 | 175.9 | -63.1 | -73.9 | 0 | 0 | 0 | 109.9 | R219 | H217-R219 PolarHBondContact O-N 3.21Š| ||
| 218 | G | 39.6 | Very low | 42.9 | Very low | 63 Ų | 63 | 108.6 Ų | 108.6 | 65% | 0.649 | 61% | 0.605 | S | S | * | * | trans | -73.5 | 113.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T216 N220 | T216-G218 PolarHBondContact O-N 3.12Å; G218-N220 PolarHBondContact O-N 3.19Å | ||
| 219 | R | 46.9 | Very low | 42.5 | Very low | 247 Ų | 247 | 111 Ų | 111 | 93% | 0.932 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -9.8 | 172.6 | -86.4 | -175 | 172 | 169.6 | -2.3 | 113.8 | H217 | H217-R219 PolarHBondContact O-N 3.21Š|
| 220 | N | 37.2 | Very low | 42.2 | Very low | 153 Ų | 153 | 116.9 Ų | 116.9 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | 50.2 | -171.6 | -59.6 | -20 | 0 | 0 | 0 | 112.6 | G218 | G218-N220 PolarHBondContact O-N 3.19Š|
| 221 | S | 32.7 | Very low | 41.8 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 69% | 0.692 | 64% | 0.641 | S | S | * | * | trans | -77.5 | 126.5 | 161.9 | 74.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 222 | P | 40.8 | Very low | 41.8 | Very low | 198 Ų | 198 | 129 Ų | 129 | 100% | 1.286 | 69% | 0.686 | S | S | * | * | trans | -60.7 | 0 | -177.3 | 25.3 | -33.9 | 0 | 0 | 0 | 113.9 |
Retrieved 222 of 222 residues in 161.2 ms
(Link to these results)