| 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 | 32.6 | Very low | 43.2 | Very low | 243 Ų | 243 | 140.7 Ų | 140.7 | 100% | 1.197 | 78% | 0.779 | S | S | * | * | 0 | 92 | 0 | -70 | -77.1 | 179.3 | 0 | 0 | 107.2 | S3 | M1-S3 PolarHBondContact O-N 3.39Š| |||
| 2 | A | 35 | Very low | 43.9 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 101.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | V4 | A2-V4 PolarHBondContact O-N 3.41Š| ||
| 3 | S | 33.7 | Very low | 44.2 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -78.3 | 106.8 | 173.7 | 52.2 | 0 | 0 | 0 | 0 | 109 | M1 T5 | M1-S3 PolarHBondContact O-N 3.39Å; S3-T5 PolarHBondContact O-N 3.21Å | ||
| 4 | V | 47.3 | Very low | 44.3 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -70.4 | 119.2 | 171.6 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | A2 Y6 | A2-V4 PolarHBondContact O-N 3.41Å; V4-Y6 PolarHBondContact O-N 2.78Å | ||
| 5 | T | 41 | Very low | 44.3 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -68.3 | 124.2 | 178.7 | 44 | 0 | 0 | 0 | 0 | 109.9 | S3 Q7 | S3-T5 PolarHBondContact O-N 3.21Å; T5-Q7 PolarHBondContact O-N 2.92Å | ||
| 6 | Y | 45.2 | Very low | 44.9 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -69.3 | 103.4 | 179.3 | -149.3 | -87.4 | 0 | 0 | 0 | 109 | V4 K16 | V4-Y6 PolarHBondContact O-N 2.78Å; Y6-K16 PolarHBondContact OH-NZ 3.35Å | ||
| 7 | Q | 46.8 | Very low | 45.5 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 127.7 | 172.5 | -67.8 | -150.9 | 4.9 | 0 | 0 | 110 | T5 | T5-Q7 PolarHBondContact O-N 2.92Š|
| 8 | K | 45.3 | Very low | 46.2 | Very low | 191 Ų | 191 | 135.2 Ų | 135.2 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 131.1 | 175.2 | -104.4 | 179.4 | 178 | 176 | 0 | 109.3 | ||
| 9 | P | 48.2 | Very low | 47.3 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 49% | 0.494 | 75% | 0.754 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 138.6 | 178.8 | 26.9 | -32.4 | 0 | 0 | 0 | 110.6 | ||
| 10 | T | 52.1 | Low | 48.4 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 93% | 0.933 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -83 | -7.9 | -177.1 | 45.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 11 | S | 47.5 | Very low | 49.7 | Very low | 56 Ų | 56 | 129.8 Ų | 129.8 | 39% | 0.392 | 72% | 0.723 | S | S | . | * | trans | -157.6 | 147.2 | -178.8 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | T13 | S11-T13 VanDerWaalsContact C-N 3.32Å; S11-T13 PolarHBondContact OG-N 3.46Å | ||
| 12 | T | 52.4 | Low | 51.8 | Low | 150 Ų | 150 | 118.6 Ų | 118.6 | 92% | 0.92 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -77.2 | -13.5 | 175.7 | 46.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 13 | T | 47.2 | Very low | 53.6 | Low | 126 Ų | 126 | 118.1 Ų | 118.1 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -99.9 | -13.9 | -170.3 | -50.8 | 0 | 0 | 0 | 0 | 113.3 | S11 | S11-T13 VanDerWaalsContact C-N 3.32Å; S11-T13 PolarHBondContact OG-N 3.46Å |
| 14 | V | 45.8 | Very low | 55.6 | Low | 111 Ų | 111 | 118.9 Ų | 118.9 | 67% | 0.673 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -110.2 | 113.6 | 180 | -174 | 0 | 0 | 0 | 0 | 108.4 | K16 | V14-K16 PolarHBondContact O-N 3.47Š|
| 15 | G | 44.2 | Very low | 56.1 | Low | 67 Ų | 67 | 120.7 Ų | 120.7 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | trans | -56 | 137.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q17 | G15-Q17 PolarHBondContact O-N 3.2Š| ||
| 16 | K | 53.8 | Low | 57.8 | Low | 121 Ų | 121 | 120.9 Ų | 120.9 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | trans | -52.3 | 125.9 | 176.8 | -69.1 | 175.6 | 178.6 | 176.3 | 0 | 109.2 | Y6 V14 M18 | Y6-K16 PolarHBondContact OH-NZ 3.35Å; V14-K16 PolarHBondContact O-N 3.47Å; K16-M18 VanDerWaalsContact C-N 3.33Å; K16-M18 PolarHBondContact O-N 3.12Å | ||
| 17 | Q | 56 | Low | 59.3 | Low | 181 Ų | 181 | 119.1 Ų | 119.1 | 85% | 0.846 | 64% | 0.638 | S | S | * | * | trans | -69.7 | 96 | 167.1 | -164.4 | 174.2 | 18.9 | 0 | 0 | 107.1 | G15 I19 | G15-Q17 PolarHBondContact O-N 3.2Å; Q17-I19 PolarHBondContact O-N 3.48Å | ||
| 18 | M | 58.1 | Low | 60.7 | Low | 130 Ų | 130 | 115.4 Ų | 115.4 | 64% | 0.64 | 62% | 0.624 | S | S | * | * | trans | -87.2 | 106.4 | -178.7 | -155.9 | 146.3 | 88.2 | 0 | 0 | 107.9 | K16 F20 | K16-M18 VanDerWaalsContact C-N 3.33Å; K16-M18 PolarHBondContact O-N 3.12Å; M18-F20 HydrophobicContact CB-CE2 4.3Å; M18-F20 HydrophobicContact CE-CE1 3.65Å; M18-F20 HydrophobicContact CE-CE2 3.98Å; M18-F20 HydrophobicContact CE-CZ 3.14Å; M18-F20 HydrophobicContact CG-CE1 4.3Å; M18-F20 HydrophobicContact CG-CE2 4.27Å; M18-F20 HydrophobicContact CG-CZ 4.08Å; M18-F20 HydrophobicContact SD-CZ 4.43Å | ||
| 19 | I | 66.9 | Low | 62.3 | Low | 133 Ų | 133 | 113.3 Ų | 113.3 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | trans | -85.8 | 116.5 | 176.3 | -59.2 | 173.2 | 0 | 0 | 0 | 106.8 | Q17 | Q17-I19 PolarHBondContact O-N 3.48Š| ||
| 20 | F | 69.4 | Low | 63.5 | Low | 65 Ų | 65 | 116.9 Ų | 116.9 | 29% | 0.285 | 63% | 0.626 | S | S | . | * | trans | -95.6 | 131.3 | 173.2 | -65.8 | -76.9 | 0 | 0 | 0 | 110 | M18 Y25 I26 | M18-F20 HydrophobicContact CB-CE2 4.3Å; M18-F20 HydrophobicContact CE-CE1 3.65Å; M18-F20 HydrophobicContact CE-CE2 3.98Å; M18-F20 HydrophobicContact CE-CZ 3.14Å; M18-F20 HydrophobicContact CG-CE1 4.3Å; M18-F20 HydrophobicContact CG-CE2 4.27Å; M18-F20 HydrophobicContact CG-CZ 4.08Å; M18-F20 HydrophobicContact SD-CZ 4.43Å; F20-Y25 WeakPolarHBondContact CD2-O 3.37Å; F20-Y25 WeakPolarHBondContact CE2-O 3.32Å; F20-Y25 WeakPolarHBondContact CG-O 3.37Å; F20-I26 WeakPolarHBondContact CD1-O 3.3Å; F20-I26 VanDerWaalsContact CE1-C 3.47Å; F20-I26 WeakPolarHBondContact CE1-O 3.05Å; F20-I26 WeakPolarHBondContact CZ-O 3.27Å | ||
| 21 | T | 75.3 | Confident | 64.5 | Low | 93 Ų | 93 | 114 Ų | 114 | 57% | 0.571 | 61% | 0.609 | S | S | * | * | trans | -88.1 | -8.8 | 178.9 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | D28 Y29 | T21-D28 PolarHBondContact N-OD1 3.39Å; T21-D28 WeakPolarHBondContact OG1-CA 3.48Å; T21-D28 VanDerWaalsContact OG1-CB 3.31Å; T21-D28 WeakPolarHBondContact OG1-CB 3.35Å; T21-D28 PolarHBondContact OG1-OD1 3.39Å; T21-Y29 WeakPolarHBondContact O-CB 3.48Å; T21-Y29 PolarHBondContact OG1-N 2.98Å | ||
| 22 | G | 75.9 | Confident | 65.7 | Low | 8 Ų | 8 | 119.6 Ų | 119.6 | 8% | 0.082 | 63% | 0.627 | C | S | . | * | S | Bend | trans | -78.5 | 150.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | D24 Y25 K27 | G22-D24 PolarHBondContact O-N 3.17Å; G22-Y25 PolarHBondContact O-N 3.47Å; G22-K27 WeakPolarHBondContact CA-O 3.31Å; G22-K27 PolarHBondContact N-O 2.92Å |
| 23 | P | 72.6 | Confident | 66.6 | Low | 94 Ų | 94 | 119.7 Ų | 119.7 | 61% | 0.61 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -26.7 | 178.4 | 26.3 | -34.9 | 0 | 0 | 0 | 113 | Y25 | P23-Y25 VanDerWaalsContact C-N 3.33Å; P23-Y25 WeakPolarHBondContact O-CD2 2.99Å; P23-Y25 VanDerWaalsContact O-CE2 3.31Å; P23-Y25 WeakPolarHBondContact O-CE2 3.48Å |
| 24 | D | 75.7 | Confident | 67.5 | Low | 126 Ų | 126 | 120.5 Ų | 120.5 | 67% | 0.674 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -1.6 | -179.8 | -57.8 | -28 | 0 | 0 | 0 | 112.9 | G22 I26 | G22-D24 PolarHBondContact O-N 3.17Å; D24-I26 HydrophobicContact CB-CD1 4.27Å; D24-I26 WeakPolarHBondContact O-CG1 3.31Å; D24-I26 PolarHBondContact O-N 3.36Å |
| 25 | Y | 59.6 | Low | 68.5 | Low | 178 Ų | 178 | 123.3 Ų | 123.3 | 70% | 0.698 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 55 | 13.3 | -178.4 | -52.8 | -84.7 | 0 | 0 | 0 | 115.7 | F20 G22 P23 | F20-Y25 WeakPolarHBondContact CD2-O 3.37Å; F20-Y25 WeakPolarHBondContact CE2-O 3.32Å; F20-Y25 WeakPolarHBondContact CG-O 3.37Å; G22-Y25 PolarHBondContact O-N 3.47Å; P23-Y25 VanDerWaalsContact C-N 3.33Å; P23-Y25 WeakPolarHBondContact O-CD2 2.99Å; P23-Y25 VanDerWaalsContact O-CE2 3.31Å; P23-Y25 WeakPolarHBondContact O-CE2 3.48Å |
| 26 | I | 76.1 | Confident | 69.5 | Low | 118 Ų | 118 | 126 Ų | 126 | 61% | 0.605 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -99.9 | -29.5 | 179.7 | -63.2 | 158 | 0 | 0 | 0 | 111.4 | F20 D24 | F20-I26 WeakPolarHBondContact CD1-O 3.3Å; F20-I26 VanDerWaalsContact CE1-C 3.47Å; F20-I26 WeakPolarHBondContact CE1-O 3.05Å; F20-I26 WeakPolarHBondContact CZ-O 3.27Å; D24-I26 HydrophobicContact CB-CD1 4.27Å; D24-I26 WeakPolarHBondContact O-CG1 3.31Å; D24-I26 PolarHBondContact O-N 3.36Å |
| 27 | K | 75.4 | Confident | 70 | Confident | 156 Ų | 156 | 124.1 Ų | 124.1 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -145.9 | 159.3 | -176.1 | -61.7 | -175.5 | -177.1 | 174.7 | 0 | 110.4 | G22 | G22-K27 WeakPolarHBondContact CA-O 3.31Å; G22-K27 PolarHBondContact N-O 2.92Å |
| 28 | D | 77.3 | Confident | 70.3 | Confident | 92 Ų | 92 | 118.6 Ų | 118.6 | 49% | 0.492 | 59% | 0.594 | S | S | . | * | trans | -63.5 | 143.3 | 169 | -74.7 | -39.6 | 0 | 0 | 0 | 111.6 | T21 L30 | T21-D28 PolarHBondContact N-OD1 3.39Å; T21-D28 WeakPolarHBondContact OG1-CA 3.48Å; T21-D28 VanDerWaalsContact OG1-CB 3.31Å; T21-D28 WeakPolarHBondContact OG1-CB 3.35Å; T21-D28 PolarHBondContact OG1-OD1 3.39Å; D28-L30 PolarHBondContact O-N 3.16Å; D28-L30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | Y | 78.2 | Confident | 70.6 | Confident | 146 Ų | 146 | 121.3 Ų | 121.3 | 57% | 0.573 | 60% | 0.599 | S | S | * | * | trans | -68.7 | 110.4 | 176.1 | -175.7 | -113.4 | 0 | 0 | 0 | 109 | T21 P31 | T21-Y29 WeakPolarHBondContact O-CB 3.48Å; T21-Y29 PolarHBondContact OG1-N 2.98Å; Y29-P31 HydrophobicContact CE1-CB 4.01Å; Y29-P31 WeakPolarHBondContact O-CD 3.42Å | ||
| 30 | L | 75 | Confident | 70.4 | Confident | 152 Ų | 152 | 120.7 Ų | 120.7 | 80% | 0.796 | 60% | 0.601 | S | S | * | * | trans | -96.5 | 105.6 | 171.3 | -66 | 177 | 0 | 0 | 0 | 108.5 | D28 K32 | D28-L30 PolarHBondContact O-N 3.16Å; D28-L30 VanDerWaalsContact O-N 3.12Å; L30-K32 PolarHBondContact O-N 3.38Å | ||
| 31 | P | 71.3 | Confident | 70.3 | Confident | 91 Ų | 91 | 119 Ų | 119 | 59% | 0.591 | 60% | 0.602 | S | S | * | * | trans | -64.4 | 119.7 | 177.6 | 25.4 | -32.5 | 0 | 0 | 0 | 109.6 | Y29 I33 | Y29-P31 HydrophobicContact CE1-CB 4.01Å; Y29-P31 WeakPolarHBondContact O-CD 3.42Å; P31-I33 PolarHBondContact O-N 3.35Å | ||
| 32 | K | 72.9 | Confident | 69.7 | Low | 174 Ų | 174 | 123.8 Ų | 123.8 | 76% | 0.757 | 62% | 0.618 | S | S | * | * | trans | -85.3 | 110.5 | 173.9 | -166.3 | 172.9 | -176.3 | 177.8 | 0 | 108.9 | L30 | L30-K32 PolarHBondContact O-N 3.38Š| ||
| 33 | I | 71.8 | Confident | 69.2 | Low | 151 Ų | 151 | 131.1 Ų | 131.1 | 77% | 0.774 | 65% | 0.65 | S | S | * | * | trans | -84.8 | 116.3 | 173.4 | -57.2 | 173.9 | 0 | 0 | 0 | 107.6 | P31 Q35 | P31-I33 PolarHBondContact O-N 3.35Å; I33-Q35 PolarHBondContact O-N 3.25Å | ||
| 34 | H | 65.8 | Low | 68.6 | Low | 143 Ų | 143 | 135.4 Ų | 135.4 | 66% | 0.662 | 66% | 0.661 | S | S | * | * | trans | -74.4 | 122.3 | 173.6 | -69.2 | -84.1 | 0 | 0 | 0 | 109.6 | H36 | H34-H36 VanDerWaalsContact C-N 3.29Å; H34-H36 PolarHBondContact O-N 3.34Å | ||
| 35 | Q | 67.4 | Low | 67.9 | Low | 171 Ų | 171 | 133.1 Ų | 133.1 | 80% | 0.799 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -71.7 | -25.3 | -179.9 | -67.3 | 179.6 | -7.7 | 0 | 0 | 112.7 | I33 | I33-Q35 PolarHBondContact O-N 3.25Š|
| 36 | H | 65.5 | Low | 68.1 | Low | 122 Ų | 122 | 127.5 Ų | 127.5 | 57% | 0.565 | 64% | 0.644 | S | S | * | * | trans | -130.5 | 130.7 | -176.1 | -52.9 | -51.5 | 0 | 0 | 0 | 109.9 | H34 | H34-H36 VanDerWaalsContact C-N 3.29Å; H34-H36 PolarHBondContact O-N 3.34Å | ||
| 37 | T | 64.6 | Low | 67.5 | Low | 82 Ų | 82 | 130.8 Ų | 130.8 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | trans | -96.4 | -0.9 | 176.5 | -27.3 | 0 | 0 | 0 | 0 | 111.9 | L53 | T37-L53 HydrophobicContact CG2-CB 4.47Š| ||
| 38 | C | 62.3 | Low | 67 | Low | 65 Ų | 65 | 132.2 Ų | 132.2 | 44% | 0.439 | 67% | 0.67 | S | S | . | * | B | Isolated β-bridge | trans | -93.9 | 146.6 | 177.3 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | V40 | C38-V40 PolarHBondContact O-N 3.14Å |
| 39 | Y | 62.8 | Low | 66.4 | Low | 187 Ų | 187 | 135.3 Ų | 135.3 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | trans | -66.5 | 112.3 | 171 | 179.3 | -102.8 | 0 | 0 | 0 | 109.9 | G41 G51 | Y39-G41 PolarHBondContact O-N 2.92Å; Y39-G51 PolarHBondContact N-O 2.86Å | ||
| 40 | V | 62.9 | Low | 65.6 | Low | 121 Ų | 121 | 132.3 Ų | 132.3 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | trans | -94.5 | 79.4 | 172.7 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | C38 | C38-V40 PolarHBondContact O-N 3.14Š| ||
| 41 | G | 68.8 | Low | 65.1 | Low | 29 Ų | 29 | 126.4 Ų | 126.4 | 30% | 0.299 | 65% | 0.653 | S | S | . | * | trans | -97.4 | 162.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y39 Q43 | Y39-G41 PolarHBondContact O-N 2.92Å; G41-Q43 VanDerWaalsContact C-N 3.27Å; G41-Q43 PolarHBondContact O-N 3.22Å | ||
| 42 | E | 61.8 | Low | 64.9 | Low | 194 Ų | 194 | 124.2 Ų | 124.2 | 91% | 0.907 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -67.7 | -25.8 | -179 | -167 | 176.5 | -167.7 | 0 | 0 | 113.3 | ||
| 43 | Q | 65.4 | Low | 64.7 | Low | 161 Ų | 161 | 119.8 Ų | 119.8 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -97.8 | 128 | -179.5 | -68.2 | -76.7 | -26.5 | 0 | 0 | 110.5 | G41 P45 | G41-Q43 VanDerWaalsContact C-N 3.27Å; G41-Q43 PolarHBondContact O-N 3.22Å; Q43-P45 WeakPolarHBondContact O-CD 3.33Å |
| 44 | H | 59.2 | Low | 64.3 | Low | 185 Ų | 185 | 120.4 Ų | 120.4 | 86% | 0.856 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 122.3 | 168.7 | -68.3 | -66.8 | 0 | 0 | 0 | 109 | ||
| 45 | P | 61.1 | Low | 64.1 | Low | 77 Ų | 77 | 119.4 Ų | 119.4 | 50% | 0.5 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 144.7 | 176.6 | 26.4 | -32.2 | 0 | 0 | 0 | 109.4 | Q43 K49 | Q43-P45 WeakPolarHBondContact O-CD 3.33Å; P45-K49 HydrophobicContact CB-CB 4.22Å; P45-K49 WeakPolarHBondContact CB-O 2.97Å |
| 46 | A | 65.3 | Low | 64 | Low | 61 Ų | 61 | 116.5 Ų | 116.5 | 50% | 0.504 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -49.7 | 150.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E48 K49 | A46-E48 PolarHBondContact O-N 3.49Å; A46-K49 PolarHBondContact O-N 3.04Å |
| 47 | L | 62 | Low | 63.8 | Low | 186 Ų | 186 | 118.8 Ų | 118.8 | 97% | 0.974 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | -29.7 | -174.9 | -154.1 | 98.3 | 0 | 0 | 0 | 113.5 | ||
| 48 | E | 66.4 | Low | 63.7 | Low | 186 Ų | 186 | 123.3 Ų | 123.3 | 87% | 0.869 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -17.8 | 179.8 | -57.8 | -177.4 | 166.9 | 0 | 0 | 114 | A46 | A46-E48 PolarHBondContact O-N 3.49Š|
| 49 | K | 62.9 | Low | 63.4 | Low | 158 Ų | 158 | 123.3 Ų | 123.3 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | trans | -101.4 | 107 | -177.6 | -67.8 | -171.8 | 179.8 | -179.8 | 0 | 109.8 | P45 A46 | P45-K49 HydrophobicContact CB-CB 4.22Å; P45-K49 WeakPolarHBondContact CB-O 2.97Å; A46-K49 PolarHBondContact O-N 3.04Å | ||
| 50 | T | 61.7 | Low | 63.3 | Low | 82 Ų | 82 | 117.7 Ų | 117.7 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | trans | -85.8 | 114.3 | 172.8 | -68 | 0 | 0 | 0 | 0 | 109.8 | D52 | T50-D52 HydrophobicContact CG2-CB 3.49Å; T50-D52 VanDerWaalsContact CG2-CB 3.49Å; T50-D52 PolarHBondContact O-N 2.92Å | ||
| 51 | G | 65.6 | Low | 63.3 | Low | 29 Ų | 29 | 117.3 Ų | 117.3 | 30% | 0.299 | 60% | 0.599 | S | S | . | * | trans | -77.9 | 3.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y39 L53 | Y39-G51 PolarHBondContact N-O 2.86Å; G51-L53 PolarHBondContact O-N 3.06Å | ||
| 52 | D | 66.6 | Low | 62.7 | Low | 44 Ų | 44 | 122.6 Ų | 122.6 | 24% | 0.235 | 62% | 0.621 | C | S | . | * | B | Isolated β-bridge | trans | -86.9 | 102.2 | 178.9 | -178.5 | 14.2 | 0 | 0 | 0 | 110.4 | T50 R54 Y55 | T50-D52 HydrophobicContact CG2-CB 3.49Å; T50-D52 VanDerWaalsContact CG2-CB 3.49Å; T50-D52 PolarHBondContact O-N 2.92Å; D52-R54 PolarHBondContact O-N 3.13Å; D52-R54 VanDerWaalsContact OD1-CB 3.27Å; D52-R54 WeakPolarHBondContact OD1-CB 2.94Å; D52-R54 VanDerWaalsContact OD1-CD 3.3Å; D52-R54 WeakPolarHBondContact OD1-CD 3.21Å; D52-R54 WeakPolarHBondContact OD1-CG 3.31Å; D52-R54 PolarHBondContact OD1-N 3.1Å; D52-R54 VanDerWaalsContact OD1-N 3.16Å; D52-R54 IonicContact OD1-NE 3.8Å; D52-R54 WeakPolarHBondContact OD2-CD 3.38Å; D52-Y55 WeakPolarHBondContact O-CD1 3.44Å; D52-Y55 PolarHBondContact O-N 3.09Å |
| 53 | L | 68.3 | Low | 62.5 | Low | 82 Ų | 82 | 125.1 Ų | 125.1 | 43% | 0.429 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -61.2 | -7.1 | 179.5 | -68.2 | 169.7 | 0 | 0 | 0 | 113.8 | T37 G51 Y55 L56 | T37-L53 HydrophobicContact CG2-CB 4.47Å; G51-L53 PolarHBondContact O-N 3.06Å; L53-Y55 PolarHBondContact O-N 3.35Å; L53-Y55 VanDerWaalsContact O-N 3.13Å; L53-L56 HydrophobicContact CD2-CD1 3.93Å; L53-L56 WeakPolarHBondContact O-CB 3.46Å; L53-L56 PolarHBondContact O-N 3.06Å; L53-L56 VanDerWaalsContact O-N 3.09Å |
| 54 | R | 64.2 | Low | 62.1 | Low | 164 Ų | 164 | 120.7 Ų | 120.7 | 62% | 0.619 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -57.5 | -23.7 | 174.3 | -69.4 | 173.6 | -171.7 | 177.8 | -0.1 | 113.2 | D52 L56 W57 R58 | D52-R54 PolarHBondContact O-N 3.13Å; D52-R54 VanDerWaalsContact OD1-CB 3.27Å; D52-R54 WeakPolarHBondContact OD1-CB 2.94Å; D52-R54 VanDerWaalsContact OD1-CD 3.3Å; D52-R54 WeakPolarHBondContact OD1-CD 3.21Å; D52-R54 WeakPolarHBondContact OD1-CG 3.31Å; D52-R54 PolarHBondContact OD1-N 3.1Å; D52-R54 VanDerWaalsContact OD1-N 3.16Å; D52-R54 IonicContact OD1-NE 3.8Å; D52-R54 WeakPolarHBondContact OD2-CD 3.38Å; R54-L56 PolarHBondContact O-N 3.2Å; R54-W57 CarbonylContact O-C 3.58Å; R54-W57 PolarHBondContact O-N 3.18Å; R54-W57 VanDerWaalsContact O-N 3.1Å; R54-R58 WeakPolarHBondContact O-CG 3.22Å; R54-R58 PolarHBondContact O-N 3.33Å |
| 55 | Y | 61.5 | Low | 62.1 | Low | 121 Ų | 121 | 119.1 Ų | 119.1 | 48% | 0.475 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -62.3 | -31 | 175.9 | 74.4 | -99 | 0 | 0 | 0 | 113 | D52 L53 W57 | D52-Y55 WeakPolarHBondContact O-CD1 3.44Å; D52-Y55 PolarHBondContact O-N 3.09Å; L53-Y55 PolarHBondContact O-N 3.35Å; L53-Y55 VanDerWaalsContact O-N 3.13Å; Y55-W57 PolarHBondContact O-N 3.49Å |
| 56 | L | 65.9 | Low | 62.1 | Low | 111 Ų | 111 | 119.2 Ų | 119.2 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -66.9 | -24.2 | 176.3 | -66.4 | 171.6 | 0 | 0 | 0 | 112.2 | L53 R54 | L53-L56 HydrophobicContact CD2-CD1 3.93Å; L53-L56 WeakPolarHBondContact O-CB 3.46Å; L53-L56 PolarHBondContact O-N 3.06Å; L53-L56 VanDerWaalsContact O-N 3.09Å; R54-L56 PolarHBondContact O-N 3.2Å |
| 57 | W | 60.2 | Low | 61.8 | Low | 170 Ų | 170 | 120.1 Ų | 120.1 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -113.5 | 14.1 | -173.2 | -60.8 | 76.8 | 0 | 0 | 0 | 112.7 | R54 Y55 P59 Y69 | R54-W57 CarbonylContact O-C 3.58Å; R54-W57 PolarHBondContact O-N 3.18Å; R54-W57 VanDerWaalsContact O-N 3.1Å; Y55-W57 PolarHBondContact O-N 3.49Å; W57-P59 VanDerWaalsContact O-CD 3.27Å; W57-P59 WeakPolarHBondContact O-CD 3.44Å; W57-Y69 HydrophobicContact CH2-CE1 4.45Å; W57-Y69 HydrophobicContact CZ3-CE1 4.28Å |
| 58 | R | 62.3 | Low | 61.8 | Low | 176 Ų | 176 | 115.7 Ų | 115.7 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 119.6 | 177.9 | -77.2 | -178.1 | -167.5 | -168.7 | 5.6 | 109.6 | R54 | R54-R58 WeakPolarHBondContact O-CG 3.22Å; R54-R58 PolarHBondContact O-N 3.33Å |
| 59 | P | 57.4 | Low | 61.4 | Low | 66 Ų | 66 | 112.7 Ų | 112.7 | 43% | 0.429 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 140.2 | 166.8 | 26.4 | -30.8 | 0 | 0 | 0 | 108.6 | W57 S61 | W57-P59 VanDerWaalsContact O-CD 3.27Å; W57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-S61 PolarHBondContact O-N 3.2Å |
| 60 | A | 60.3 | Low | 60.9 | Low | 68 Ų | 68 | 112.9 Ų | 112.9 | 56% | 0.562 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 127.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | N62 R63 | A60-N62 PolarHBondContact O-N 3.18Å; A60-R63 PolarHBondContact O-N 3.1Å |
| 61 | S | 61.7 | Low | 60.7 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 79% | 0.79 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -20.4 | -166.3 | 56.3 | 0 | 0 | 0 | 0 | 114.7 | P59 | P59-S61 PolarHBondContact O-N 3.2Š|
| 62 | N | 57.9 | Low | 60.3 | Low | 141 Ų | 141 | 117.7 Ų | 117.7 | 75% | 0.754 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | -3.7 | -166.5 | -51.2 | -7.6 | 0 | 0 | 0 | 114.4 | A60 | A60-N62 PolarHBondContact O-N 3.18Š|
| 63 | R | 56.2 | Low | 59.6 | Low | 246 Ų | 246 | 122.3 Ų | 122.3 | 93% | 0.928 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.2 | -6.1 | -167.6 | -107.2 | 178.1 | -163.5 | -160.5 | 2.9 | 119.1 | A60 | A60-R63 PolarHBondContact O-N 3.1Š|
| 64 | S | 58.3 | Low | 58.9 | Low | 68 Ų | 68 | 122 Ų | 122 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | trans | -114.2 | 121.6 | -176.9 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 65 | L | 57.5 | Low | 58.5 | Low | 153 Ų | 153 | 117.5 Ų | 117.5 | 80% | 0.801 | 60% | 0.598 | S | S | * | * | trans | -59.5 | 138.3 | 154.8 | -65.1 | 173.5 | 0 | 0 | 0 | 107.1 | A67 | L65-A67 PolarHBondContact O-N 3.32Š| ||
| 66 | P | 61 | Low | 57.9 | Low | 79 Ų | 79 | 115.7 Ų | 115.7 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | trans | -58.3 | 139.3 | 176.1 | 24.1 | -32 | 0 | 0 | 0 | 109 | K68 | P66-K68 PolarHBondContact O-N 3.31Š| ||
| 67 | A | 61 | Low | 56.9 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 65% | 0.653 | 61% | 0.611 | S | S | * | * | trans | -57.9 | 109.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | L65 | L65-A67 PolarHBondContact O-N 3.32Š| ||
| 68 | K | 60.8 | Low | 56.5 | Low | 93 Ų | 93 | 113.3 Ų | 113.3 | 40% | 0.404 | 60% | 0.604 | S | S | . | * | trans | -73.6 | 140.5 | -178.6 | -69.5 | -160.9 | 171.9 | -168 | 0 | 109.4 | P66 E72 Y73 | P66-K68 PolarHBondContact O-N 3.31Å; K68-E72 HydrophobicContact CB-CB 4.08Å; K68-E72 VanDerWaalsContact CB-OE2 3.23Å; K68-E72 WeakPolarHBondContact CB-OE2 3.45Å; K68-E72 HydrophobicContact CD-CB 4.27Å; K68-E72 VanDerWaalsContact CD-OE2 3.32Å; K68-E72 WeakPolarHBondContact CD-OE2 3.18Å; K68-E72 WeakPolarHBondContact CG-OE2 3.32Å; K68-Y73 HydrophobicContact CB-CE2 4.25Å; K68-Y73 WeakPolarHBondContact O-CE2 3.16Å | ||
| 69 | Y | 58.3 | Low | 56 | Low | 124 Ų | 124 | 110.4 Ų | 110.4 | 49% | 0.486 | 59% | 0.593 | S | S | . | * | trans | -65.3 | 152.8 | 174.3 | -69.1 | -79.7 | 0 | 0 | 0 | 110.3 | W57 H71 E72 Y73 | W57-Y69 HydrophobicContact CH2-CE1 4.45Å; W57-Y69 HydrophobicContact CZ3-CE1 4.28Å; Y69-H71 WeakPolarHBondContact CB-CE1 3.34Å; Y69-H71 WeakPolarHBondContact CB-ND1 3.44Å; Y69-H71 AromaticContact CG-CE1 3.69Å; Y69-H71 PolarHBondContact O-N 3.06Å; Y69-H71 VanDerWaalsContact O-N 3.11Å; Y69-E72 WeakPolarHBondContact O-CB 3.27Å; Y69-E72 PolarHBondContact O-N 3.24Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.2Å | ||
| 70 | K | 53.2 | Low | 55.7 | Low | 161 Ų | 161 | 110.6 Ų | 110.6 | 70% | 0.7 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -48.5 | -41.7 | -179.6 | -78.2 | -169 | 176.7 | -174.2 | 0 | 113.1 | E72 Y73 E76 | K70-E72 PolarHBondContact O-N 2.94Å; K70-E72 VanDerWaalsContact O-N 3.16Å; K70-Y73 WeakPolarHBondContact O-CB 3.31Å; K70-Y73 WeakPolarHBondContact O-CD2 3.49Å; K70-Y73 PolarHBondContact O-N 3.45Å; K70-E76 WeakPolarHBondContact CB-OE1 3.34Å; K70-E76 VanDerWaalsContact O-OE2 3.1Å |
| 71 | H | 56.1 | Low | 55.7 | Low | 122 Ų | 122 | 110.3 Ų | 110.3 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -69.6 | -10.4 | 179.2 | 62.1 | -98.4 | 0 | 0 | 0 | 115.1 | Y69 E76 | Y69-H71 WeakPolarHBondContact CB-CE1 3.34Å; Y69-H71 WeakPolarHBondContact CB-ND1 3.44Å; Y69-H71 AromaticContact CG-CE1 3.69Å; Y69-H71 PolarHBondContact O-N 3.06Å; Y69-H71 VanDerWaalsContact O-N 3.11Å; H71-E76 WeakPolarHBondContact CA-OE2 3.22Å; H71-E76 PolarHBondContact N-OE2 3.2Å |
| 72 | E | 57.1 | Low | 55.6 | Low | 91 Ų | 91 | 109.7 Ų | 109.7 | 43% | 0.425 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -89.2 | -7.8 | 172.6 | -62 | -179.6 | -170.2 | 0 | 0 | 112.4 | K68 Y69 K70 | K68-E72 HydrophobicContact CB-CB 4.08Å; K68-E72 VanDerWaalsContact CB-OE2 3.23Å; K68-E72 WeakPolarHBondContact CB-OE2 3.45Å; K68-E72 HydrophobicContact CD-CB 4.27Å; K68-E72 VanDerWaalsContact CD-OE2 3.32Å; K68-E72 WeakPolarHBondContact CD-OE2 3.18Å; K68-E72 WeakPolarHBondContact CG-OE2 3.32Å; Y69-E72 WeakPolarHBondContact O-CB 3.27Å; Y69-E72 PolarHBondContact O-N 3.24Å; K70-E72 PolarHBondContact O-N 2.94Å; K70-E72 VanDerWaalsContact O-N 3.16Å |
| 73 | Y | 53.6 | Low | 55.7 | Low | 141 Ų | 141 | 109.4 Ų | 109.4 | 55% | 0.553 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -78.6 | 143.2 | 173.2 | -71.5 | -91.4 | 0 | 0 | 0 | 111.1 | K68 Y69 K70 G75 | K68-Y73 HydrophobicContact CB-CE2 4.25Å; K68-Y73 WeakPolarHBondContact O-CE2 3.16Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.2Å; K70-Y73 WeakPolarHBondContact O-CB 3.31Å; K70-Y73 WeakPolarHBondContact O-CD2 3.49Å; K70-Y73 PolarHBondContact O-N 3.45Å; Y73-G75 PolarHBondContact O-N 3.43Å |
| 74 | V | 53.6 | Low | 55.9 | Low | 76 Ų | 76 | 104.9 Ų | 104.9 | 46% | 0.461 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | 118.1 | 177.9 | 171.2 | 0 | 0 | 0 | 0 | 109.3 | W79 | V74-W79 HydrophobicContact CB-CZ2 4.16Å; V74-W79 HydrophobicContact CG1-CH2 4.46Å; V74-W79 HydrophobicContact CG1-CZ2 3.6Å; V74-W79 HydrophobicContact CG2-CZ2 4.03Å |
| 75 | G | 54.9 | Low | 56 | Low | 68 Ų | 68 | 105.8 Ų | 105.8 | 70% | 0.701 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.7 | -8.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y73 | Y73-G75 PolarHBondContact O-N 3.43Š|
| 76 | E | 49.4 | Very low | 56.5 | Low | 84 Ų | 84 | 105.7 Ų | 105.7 | 39% | 0.393 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -90.2 | 163.3 | 178.5 | -63.6 | -154.4 | 170 | 0 | 0 | 114.3 | K70 H71 G78 | K70-E76 WeakPolarHBondContact CB-OE1 3.34Å; K70-E76 VanDerWaalsContact O-OE2 3.1Å; H71-E76 WeakPolarHBondContact CA-OE2 3.22Å; H71-E76 PolarHBondContact N-OE2 3.2Å; E76-G78 PolarHBondContact O-N 3.16Å |
| 77 | I | 45.2 | Very low | 56.7 | Low | 182 Ų | 182 | 105.6 Ų | 105.6 | 93% | 0.933 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 103 | 179.8 | -62.7 | 163.8 | 0 | 0 | 0 | 109.3 | ||
| 78 | G | 50.7 | Low | 56.7 | Low | 48 Ų | 48 | 103.9 Ų | 103.9 | 50% | 0.495 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 153 | -1.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E76 G80 | E76-G78 PolarHBondContact O-N 3.16Å; G78-G80 PolarHBondContact O-N 2.86Å |
| 79 | W | 51 | Low | 57 | Low | 116 Ų | 116 | 105.2 Ų | 105.2 | 44% | 0.439 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 117.2 | 169.4 | -90.4 | 66.8 | 0 | 0 | 0 | 110.9 | V74 L92 | V74-W79 HydrophobicContact CB-CZ2 4.16Å; V74-W79 HydrophobicContact CG1-CH2 4.46Å; V74-W79 HydrophobicContact CG1-CZ2 3.6Å; V74-W79 HydrophobicContact CG2-CZ2 4.03Å; W79-L92 HydrophobicContact CZ3-CD2 3.86Å; W79-L92 HydrophobicContact CZ3-CG 4.15Å |
| 80 | G | 51.7 | Low | 57.4 | Low | 69 Ų | 69 | 103.2 Ų | 103.2 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.6 | 7.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G78 P82 | G78-G80 PolarHBondContact O-N 2.86Å; G80-P82 VanDerWaalsContact O-CD 3.31Å; G80-P82 WeakPolarHBondContact O-CD 3.47Å |
| 81 | V | 59.8 | Low | 57.8 | Low | 62 Ų | 62 | 102.5 Ų | 102.5 | 38% | 0.376 | 54% | 0.54 | S | S | . | . | trans | -73.2 | 114.2 | 172.4 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | Q83 Y84 | V81-Q83 HydrophobicContact CG1-CB 4.44Å; V81-Q83 PolarHBondContact O-N 3.06Å; V81-Q83 VanDerWaalsContact O-N 3.14Å; V81-Y84 HydrophobicContact CB-CD2 4.27Å; V81-Y84 HydrophobicContact CG1-CD2 3.75Å; V81-Y84 HydrophobicContact CG1-CE2 4.15Å; V81-Y84 PolarHBondContact O-N 3.11Å | ||
| 82 | P | 59.8 | Low | 58.3 | Low | 101 Ų | 101 | 99.8 Ų | 99.8 | 66% | 0.656 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -61.3 | -29.9 | -170.7 | -4.4 | 7.3 | 0 | 0 | 0 | 113.3 | G80 Y84 N85 | G80-P82 VanDerWaalsContact O-CD 3.31Å; G80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-Y84 VanDerWaalsContact C-N 3.3Å; P82-Y84 PolarHBondContact O-N 2.94Å; P82-N85 WeakPolarHBondContact O-CB 3.23Å; P82-N85 PolarHBondContact O-N 3.04Å |
| 83 | Q | 60.8 | Low | 58.9 | Low | 134 Ų | 134 | 102.2 Ų | 102.2 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -67.6 | -24.4 | -176.6 | -65.4 | 88.8 | -4.7 | 0 | 0 | 114.1 | V81 F86 | V81-Q83 HydrophobicContact CG1-CB 4.44Å; V81-Q83 PolarHBondContact O-N 3.06Å; V81-Q83 VanDerWaalsContact O-N 3.14Å; Q83-F86 VanDerWaalsContact O-CE1 3.31Å; Q83-F86 WeakPolarHBondContact O-CE1 3.29Å |
| 84 | Y | 60.5 | Low | 59.7 | Low | 152 Ų | 152 | 98.9 Ų | 98.9 | 60% | 0.596 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -110.4 | 9 | -176.2 | -58.6 | -69 | 0 | 0 | 0 | 113.4 | V81 P82 F86 I87 | V81-Y84 HydrophobicContact CB-CD2 4.27Å; V81-Y84 HydrophobicContact CG1-CD2 3.75Å; V81-Y84 HydrophobicContact CG1-CE2 4.15Å; V81-Y84 PolarHBondContact O-N 3.11Å; P82-Y84 VanDerWaalsContact C-N 3.3Å; P82-Y84 PolarHBondContact O-N 2.94Å; Y84-F86 PolarHBondContact O-N 3.42Å; Y84-I87 HydrophobicContact CD1-CD1 4.37Å; Y84-I87 PolarHBondContact O-N 3.22Å |
| 85 | N | 61.2 | Low | 60.3 | Low | 87 Ų | 87 | 96.5 Ų | 96.5 | 47% | 0.465 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -26.1 | -172.9 | -147.7 | 8.1 | 0 | 0 | 0 | 112.8 | P82 I87 N88 K89 | P82-N85 WeakPolarHBondContact O-CB 3.23Å; P82-N85 PolarHBondContact O-N 3.04Å; N85-I87 VanDerWaalsContact C-N 3.26Å; N85-I87 PolarHBondContact O-N 3.31Å; N85-N88 PolarHBondContact O-N 2.81Å; N85-K89 PolarHBondContact O-N 2.89Å; N85-K89 VanDerWaalsContact O-N 3.1Å |
| 86 | F | 66.8 | Low | 60.7 | Low | 150 Ų | 150 | 101.8 Ų | 101.8 | 66% | 0.658 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.9 | -30 | 177.7 | 68.7 | -89.2 | 0 | 0 | 0 | 113.4 | Q83 Y84 N88 | Q83-F86 VanDerWaalsContact O-CE1 3.31Å; Q83-F86 WeakPolarHBondContact O-CE1 3.29Å; Y84-F86 PolarHBondContact O-N 3.42Å; F86-N88 VanDerWaalsContact C-N 3.3Å; F86-N88 PolarHBondContact O-N 3.08Å |
| 87 | I | 65.9 | Low | 61.1 | Low | 77 Ų | 77 | 101.7 Ų | 101.7 | 40% | 0.395 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.8 | -32 | -177.6 | -58.5 | 176.8 | 0 | 0 | 0 | 110.9 | Y84 N85 | Y84-I87 HydrophobicContact CD1-CD1 4.37Å; Y84-I87 PolarHBondContact O-N 3.22Å; N85-I87 VanDerWaalsContact C-N 3.26Å; N85-I87 PolarHBondContact O-N 3.31Å |
| 88 | N | 60.8 | Low | 61.8 | Low | 44 Ų | 44 | 96.1 Ų | 96.1 | 24% | 0.235 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -108.5 | 1.6 | -174.9 | -69.1 | -33.1 | 0 | 0 | 0 | 113.4 | N85 F86 S90 R91 L92 | N85-N88 PolarHBondContact O-N 2.81Å; F86-N88 VanDerWaalsContact C-N 3.3Å; F86-N88 PolarHBondContact O-N 3.08Å; N88-S90 VanDerWaalsContact C-N 3.33Å; N88-S90 PolarHBondContact O-N 3.3Å; N88-R91 PolarHBondContact O-N 2.89Å; N88-R91 VanDerWaalsContact O-N 3.08Å; N88-L92 HydrophobicContact CB-CD1 4.44Å; N88-L92 WeakPolarHBondContact O-CB 3.39Å; N88-L92 PolarHBondContact O-N 3.38Å |
| 89 | K | 67.2 | Low | 62.1 | Low | 121 Ų | 121 | 101.3 Ų | 101.3 | 53% | 0.526 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.4 | -45.2 | -175.7 | -160.1 | -178.8 | -177.9 | -167.7 | 0 | 112.5 | N85 R91 L92 E93 | N85-K89 PolarHBondContact O-N 2.89Å; N85-K89 VanDerWaalsContact O-N 3.1Å; K89-R91 PolarHBondContact O-N 3.01Å; K89-L92 PolarHBondContact O-N 3.42Å; K89-E93 WeakPolarHBondContact CE-OE1 3.37Å; K89-E93 WeakPolarHBondContact O-CB 3.48Å; K89-E93 VanDerWaalsContact O-CG 3.29Å; K89-E93 WeakPolarHBondContact O-CG 3.36Å; K89-E93 PolarHBondContact O-N 3.5Å |
| 90 | S | 66.3 | Low | 62.3 | Low | 82 Ų | 82 | 104.6 Ų | 104.6 | 57% | 0.573 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.9 | -29.2 | 178.8 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | N88 S94 | N88-S90 VanDerWaalsContact C-N 3.33Å; N88-S90 PolarHBondContact O-N 3.3Å; S90-S94 WeakPolarHBondContact O-CB 3.18Å; S90-S94 PolarHBondContact O-N 3.45Å; S90-S94 VanDerWaalsContact O-N 3.1Å; S90-S94 PolarHBondContact O-OG 3.44Å |
| 91 | R | 62.6 | Low | 62.3 | Low | 145 Ų | 145 | 110.2 Ų | 110.2 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -82.9 | -28 | 176 | -74.9 | -169.9 | -178.6 | -176.8 | 0.7 | 113 | N88 K89 S94 H97 | N88-R91 PolarHBondContact O-N 2.89Å; N88-R91 VanDerWaalsContact O-N 3.08Å; K89-R91 PolarHBondContact O-N 3.01Å; R91-S94 WeakPolarHBondContact CA-OG 3.47Å; R91-S94 PolarHBondContact O-OG 3.23Å; R91-H97 PolarHBondContact O-ND1 2.68Å |
| 92 | L | 65.1 | Low | 62 | Low | 66 Ų | 66 | 114.6 Ų | 114.6 | 35% | 0.346 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.3 | -51.1 | 170.1 | -88.8 | 161.8 | 0 | 0 | 0 | 110.4 | W79 N88 K89 S94 G95 H97 | W79-L92 HydrophobicContact CZ3-CD2 3.86Å; W79-L92 HydrophobicContact CZ3-CG 4.15Å; N88-L92 HydrophobicContact CB-CD1 4.44Å; N88-L92 WeakPolarHBondContact O-CB 3.39Å; N88-L92 PolarHBondContact O-N 3.38Å; K89-L92 PolarHBondContact O-N 3.42Å; L92-S94 VanDerWaalsContact C-N 3.35Å; L92-S94 PolarHBondContact O-N 3.03Å; L92-G95 PolarHBondContact O-N 3.37Å; L92-H97 PolarHBondContact O-CE1 3.1Å |
| 93 | E | 71 | Confident | 61.7 | Low | 141 Ų | 141 | 116.2 Ų | 116.2 | 66% | 0.659 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.3 | -35.4 | 179.4 | -72.7 | 172.4 | 179.6 | 0 | 0 | 112.7 | K89 G95 | K89-E93 WeakPolarHBondContact CE-OE1 3.37Å; K89-E93 WeakPolarHBondContact O-CB 3.48Å; K89-E93 VanDerWaalsContact O-CG 3.29Å; K89-E93 WeakPolarHBondContact O-CG 3.36Å; K89-E93 PolarHBondContact O-N 3.5Å; E93-G95 PolarHBondContact O-N 3.24Å |
| 94 | S | 70.1 | Confident | 61.5 | Low | 72 Ų | 72 | 112.8 Ų | 112.8 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -4.2 | 178.3 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | S90 R91 L92 F96 | S90-S94 WeakPolarHBondContact O-CB 3.18Å; S90-S94 PolarHBondContact O-N 3.45Å; S90-S94 VanDerWaalsContact O-N 3.1Å; S90-S94 PolarHBondContact O-OG 3.44Å; R91-S94 WeakPolarHBondContact CA-OG 3.47Å; R91-S94 PolarHBondContact O-OG 3.23Å; L92-S94 VanDerWaalsContact C-N 3.35Å; L92-S94 PolarHBondContact O-N 3.03Å; S94-F96 PolarHBondContact O-N 3.45Å |
| 95 | G | 65.3 | Low | 61.3 | Low | 26 Ų | 26 | 112.7 Ų | 112.7 | 27% | 0.268 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 10.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L92 E93 H97 I98 | L92-G95 PolarHBondContact O-N 3.37Å; E93-G95 PolarHBondContact O-N 3.24Å; G95-H97 PolarHBondContact O-N 3.34Å; G95-I98 PolarHBondContact O-N 3.22Å |
| 96 | F | 64.1 | Low | 61.2 | Low | 179 Ų | 179 | 111.6 Ų | 111.6 | 79% | 0.785 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -13.5 | -173.8 | -143.8 | -91.2 | 0 | 0 | 0 | 113.7 | S94 | S94-F96 PolarHBondContact O-N 3.45Š|
| 97 | H | 57.9 | Low | 60.7 | Low | 81 Ų | 81 | 106.4 Ų | 106.4 | 38% | 0.375 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -11.1 | 176.6 | 61.8 | -79.2 | 0 | 0 | 0 | 113 | R91 L92 G95 | R91-H97 PolarHBondContact O-ND1 2.68Å; L92-H97 PolarHBondContact O-CE1 3.1Å; G95-H97 PolarHBondContact O-N 3.34Å |
| 98 | I | 58.5 | Low | 60.4 | Low | 65 Ų | 65 | 107.5 Ų | 107.5 | 33% | 0.333 | 54% | 0.54 | S | S | . | . | trans | -110.4 | 101.9 | -177.9 | -39.1 | 176.7 | 0 | 0 | 0 | 109 | G95 Y100 | G95-I98 PolarHBondContact O-N 3.22Å; I98-Y100 HydrophobicContact CB-CD2 3.69Å; I98-Y100 HydrophobicContact CB-CE2 3.32Å; I98-Y100 HydrophobicContact CB-CG 4.47Å; I98-Y100 HydrophobicContact CD1-CE2 3.69Å; I98-Y100 WeakPolarHBondContact CD1-OH 3.12Å; I98-Y100 HydrophobicContact CG1-CE2 4.05Å; I98-Y100 HydrophobicContact CG2-CD1 3.81Å; I98-Y100 HydrophobicContact CG2-CD2 3.48Å; I98-Y100 VanDerWaalsContact CG2-CD2 3.48Å; I98-Y100 HydrophobicContact CG2-CE1 3.52Å; I98-Y100 HydrophobicContact CG2-CE2 3.19Å; I98-Y100 HydrophobicContact CG2-CG 3.79Å; I98-Y100 PolarHBondContact O-N 2.91Å | ||
| 99 | K | 57 | Low | 60.4 | Low | 158 Ų | 158 | 109.1 Ų | 109.1 | 69% | 0.687 | 55% | 0.548 | S | S | * | . | trans | -78.7 | 96.1 | 167.5 | -69.5 | -171.4 | 174.5 | -165.2 | 0 | 108 | E101 | K99-E101 PolarHBondContact O-N 2.99Š| ||
| 100 | Y | 55.3 | Low | 60 | Low | 185 Ų | 185 | 105.7 Ų | 105.7 | 73% | 0.725 | 54% | 0.539 | S | S | * | . | trans | -79.4 | -4.5 | -172.3 | -85 | -71.3 | 0 | 0 | 0 | 116.1 | I98 | I98-Y100 HydrophobicContact CB-CD2 3.69Å; I98-Y100 HydrophobicContact CB-CE2 3.32Å; I98-Y100 HydrophobicContact CB-CG 4.47Å; I98-Y100 HydrophobicContact CD1-CE2 3.69Å; I98-Y100 WeakPolarHBondContact CD1-OH 3.12Å; I98-Y100 HydrophobicContact CG1-CE2 4.05Å; I98-Y100 HydrophobicContact CG2-CD1 3.81Å; I98-Y100 HydrophobicContact CG2-CD2 3.48Å; I98-Y100 VanDerWaalsContact CG2-CD2 3.48Å; I98-Y100 HydrophobicContact CG2-CE1 3.52Å; I98-Y100 HydrophobicContact CG2-CE2 3.19Å; I98-Y100 HydrophobicContact CG2-CG 3.79Å; I98-Y100 PolarHBondContact O-N 2.91Å | ||
| 101 | E | 51.4 | Low | 59.4 | Low | 187 Ų | 187 | 106.7 Ų | 106.7 | 87% | 0.874 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -132 | -10.4 | -172.6 | -83.4 | 176.7 | 143.1 | 0 | 0 | 116 | K99 | K99-E101 PolarHBondContact O-N 2.99Š|
| 102 | E | 53.5 | Low | 59.1 | Low | 153 Ų | 153 | 104 Ų | 104 | 72% | 0.715 | 54% | 0.537 | S | S | * | . | trans | -114.7 | 19.7 | -176.3 | -67.6 | -174 | 163 | 0 | 0 | 114.1 | S104 | E102-S104 PolarHBondContact O-N 3.36Š| ||
| 103 | L | 54.5 | Low | 58.6 | Low | 136 Ų | 136 | 107 Ų | 107 | 71% | 0.712 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -70.3 | 82.2 | 150.5 | -73.1 | -179.9 | 0 | 0 | 0 | 106.1 | Q105 | L103-Q105 PolarHBondContact O-N 3Š|
| 104 | S | 55.7 | Low | 57.5 | Low | 61 Ų | 61 | 108.8 Ų | 108.8 | 43% | 0.427 | 55% | 0.55 | S | S | . | . | trans | -37.8 | 130.1 | -172.1 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | E102 A106 S107 L108 | E102-S104 PolarHBondContact O-N 3.36Å; S104-A106 CarbonylContact O-C 3.51Å; S104-A106 PolarHBondContact O-N 3.48Å; S104-A106 WeakPolarHBondContact OG-CB 3.29Å; S104-A106 PolarHBondContact OG-N 3.47Å; S104-A106 VanDerWaalsContact OG-N 3.16Å; S104-S107 WeakPolarHBondContact O-CA 3.43Å; S104-S107 WeakPolarHBondContact O-CB 3.33Å; S104-S107 PolarHBondContact O-N 3.48Å; S104-S107 PolarHBondContact O-OG 3.44Å; S104-L108 PolarHBondContact O-N 2.99Å | ||
| 105 | Q | 57.8 | Low | 56.4 | Low | 151 Ų | 151 | 115.7 Ų | 115.7 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -41.1 | -34 | 164.5 | -144.5 | 88.9 | 4.8 | 0 | 0 | 110.8 | L103 S107 L108 D109 | L103-Q105 PolarHBondContact O-N 3Å; Q105-S107 PolarHBondContact O-N 3.44Å; Q105-L108 PolarHBondContact O-N 2.98Å; Q105-D109 VanDerWaalsContact O-CB 3.24Å; Q105-D109 WeakPolarHBondContact O-CB 3.26Å; Q105-D109 PolarHBondContact O-N 3.02Å |
| 106 | A | 58.1 | Low | 55.7 | Low | 63 Ų | 63 | 122.1 Ų | 122.1 | 52% | 0.521 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.1 | -35.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | S104 S110 | S104-A106 CarbonylContact O-C 3.51Å; S104-A106 PolarHBondContact O-N 3.48Å; S104-A106 WeakPolarHBondContact OG-CB 3.29Å; S104-A106 PolarHBondContact OG-N 3.47Å; S104-A106 VanDerWaalsContact OG-N 3.16Å; A106-S110 WeakPolarHBondContact O-CB 3.44Å; A106-S110 PolarHBondContact O-N 3.27Å |
| 107 | S | 56.2 | Low | 55 | Low | 42 Ų | 42 | 120.4 Ų | 120.4 | 29% | 0.294 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.7 | -43.9 | 174.9 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | S104 Q105 S110 I111 | S104-S107 WeakPolarHBondContact O-CA 3.43Å; S104-S107 WeakPolarHBondContact O-CB 3.33Å; S104-S107 PolarHBondContact O-N 3.48Å; S104-S107 PolarHBondContact O-OG 3.44Å; Q105-S107 PolarHBondContact O-N 3.44Å; S107-S110 PolarHBondContact O-N 3.42Å; S107-S110 PolarHBondContact O-OG 3.24Å; S107-I111 WeakPolarHBondContact O-CG1 3.43Å; S107-I111 PolarHBondContact O-N 3.36Å; S107-I111 VanDerWaalsContact O-N 3.13Å |
| 108 | L | 61 | Low | 54.7 | Low | 99 Ų | 99 | 121.8 Ų | 121.8 | 52% | 0.518 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.5 | -43.7 | 173.9 | -75.2 | 172.4 | 0 | 0 | 0 | 111.1 | S104 Q105 S110 I111 T112 | S104-L108 PolarHBondContact O-N 2.99Å; Q105-L108 PolarHBondContact O-N 2.98Å; L108-S110 VanDerWaalsContact C-N 3.33Å; L108-S110 PolarHBondContact O-N 3.36Å; L108-I111 PolarHBondContact O-N 2.8Å; L108-I111 VanDerWaalsContact O-N 3.17Å; L108-T112 VanDerWaalsContact O-CB 3.26Å; L108-T112 WeakPolarHBondContact O-CB 3.4Å; L108-T112 PolarHBondContact O-N 3.49Å; L108-T112 PolarHBondContact O-OG1 2.89Å |
| 109 | D | 59.3 | Low | 54.4 | Low | 78 Ų | 78 | 126.8 Ų | 126.8 | 42% | 0.417 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.4 | -42.1 | 172.7 | -85.1 | -8.9 | 0 | 0 | 0 | 111 | Q105 I111 T112 H113 | Q105-D109 VanDerWaalsContact O-CB 3.24Å; Q105-D109 WeakPolarHBondContact O-CB 3.26Å; Q105-D109 PolarHBondContact O-N 3.02Å; D109-I111 PolarHBondContact O-N 3.39Å; D109-T112 PolarHBondContact O-N 3.39Å; D109-H113 VanDerWaalsContact O-CB 3.25Å; D109-H113 WeakPolarHBondContact O-CB 3.49Å; D109-H113 PolarHBondContact O-CD2 3.44Å; D109-H113 PolarHBondContact O-N 3.32Å |
| 110 | S | 58.7 | Low | 54.4 | Low | 49 Ų | 49 | 125.5 Ų | 125.5 | 34% | 0.343 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.3 | -27.6 | 177.6 | 81.5 | 0 | 0 | 0 | 0 | 113.4 | A106 S107 L108 R114 | A106-S110 WeakPolarHBondContact O-CB 3.44Å; A106-S110 PolarHBondContact O-N 3.27Å; S107-S110 PolarHBondContact O-N 3.42Å; S107-S110 PolarHBondContact O-OG 3.24Å; L108-S110 VanDerWaalsContact C-N 3.33Å; L108-S110 PolarHBondContact O-N 3.36Å; S110-R114 VanDerWaalsContact O-CG 3.29Å; S110-R114 WeakPolarHBondContact O-CG 3.18Å; S110-R114 PolarHBondContact O-NE 3.48Å |
| 111 | I | 55.2 | Low | 54.7 | Low | 104 Ų | 104 | 117.8 Ų | 117.8 | 53% | 0.533 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -91.7 | -38.6 | 179.1 | -64.8 | 165.1 | 0 | 0 | 0 | 110.3 | S107 L108 D109 R114 | S107-I111 WeakPolarHBondContact O-CG1 3.43Å; S107-I111 PolarHBondContact O-N 3.36Å; S107-I111 VanDerWaalsContact O-N 3.13Å; L108-I111 PolarHBondContact O-N 2.8Å; L108-I111 VanDerWaalsContact O-N 3.17Å; D109-I111 PolarHBondContact O-N 3.39Å; I111-R114 WeakPolarHBondContact O-CB 3.25Å; I111-R114 PolarHBondContact O-N 3.31Å |
| 112 | T | 55.2 | Low | 55.2 | Low | 87 Ų | 87 | 115.1 Ų | 115.1 | 53% | 0.534 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.2 | -35.6 | -177.3 | -45.5 | 0 | 0 | 0 | 0 | 111 | L108 D109 R114 Y115 | L108-T112 VanDerWaalsContact O-CB 3.26Å; L108-T112 WeakPolarHBondContact O-CB 3.4Å; L108-T112 PolarHBondContact O-N 3.49Å; L108-T112 PolarHBondContact O-OG1 2.89Å; D109-T112 PolarHBondContact O-N 3.39Å; T112-R114 VanDerWaalsContact C-N 3.31Å; T112-R114 PolarHBondContact O-N 3.24Å; T112-Y115 PolarHBondContact O-N 3.21Å |
| 113 | H | 54.5 | Low | 55.6 | Low | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.606 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -71.1 | -22.3 | 171.3 | -69.5 | -56.6 | 0 | 0 | 0 | 113.5 | D109 Y115 | D109-H113 VanDerWaalsContact O-CB 3.25Å; D109-H113 WeakPolarHBondContact O-CB 3.49Å; D109-H113 PolarHBondContact O-CD2 3.44Å; D109-H113 PolarHBondContact O-N 3.32Å; H113-Y115 VanDerWaalsContact C-N 3.26Å; H113-Y115 PolarHBondContact O-N 3.17Å |
| 114 | R | 49.3 | Very low | 56.1 | Low | 178 Ų | 178 | 109.8 Ų | 109.8 | 67% | 0.672 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -70.3 | -22.3 | 173 | -82 | -177.9 | -124 | -159.4 | -0.8 | 113 | S110 I111 T112 | S110-R114 VanDerWaalsContact O-CG 3.29Å; S110-R114 WeakPolarHBondContact O-CG 3.18Å; S110-R114 PolarHBondContact O-NE 3.48Å; I111-R114 WeakPolarHBondContact O-CB 3.25Å; I111-R114 PolarHBondContact O-N 3.31Å; T112-R114 VanDerWaalsContact C-N 3.31Å; T112-R114 PolarHBondContact O-N 3.24Å |
| 115 | Y | 45.9 | Very low | 56.7 | Low | 216 Ų | 216 | 107.8 Ų | 107.8 | 85% | 0.847 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -92.9 | -3 | -173.9 | -138.8 | -93.9 | 0 | 0 | 0 | 114.3 | T112 H113 N117 | T112-Y115 PolarHBondContact O-N 3.21Å; H113-Y115 VanDerWaalsContact C-N 3.26Å; H113-Y115 PolarHBondContact O-N 3.17Å; Y115-N117 PolarHBondContact O-N 3.13Å |
| 116 | Q | 50.5 | Low | 57 | Low | 161 Ų | 161 | 101.1 Ų | 101.1 | 75% | 0.752 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -95 | 85.2 | 176.3 | -74.6 | -161.9 | -24.8 | 0 | 0 | 111.5 | ||
| 117 | N | 49 | Very low | 57.5 | Low | 144 Ų | 144 | 102.3 Ų | 102.3 | 77% | 0.77 | 50% | 0.504 | S | S | * | . | trans | 58.5 | 111.4 | 164 | -96.2 | -19.6 | 0 | 0 | 0 | 116.2 | Y115 W119 | Y115-N117 PolarHBondContact O-N 3.13Å; N117-W119 PolarHBondContact O-N 2.69Å | ||
| 118 | P | 52.2 | Low | 58.1 | Low | 109 Ų | 109 | 106 Ų | 106 | 71% | 0.708 | 52% | 0.518 | S | S | * | . | trans | -55.5 | 112.2 | 162.4 | 23.8 | -30.8 | 0 | 0 | 0 | 107.7 | Q120 | P118-Q120 PolarHBondContact O-N 2.86Š| ||
| 119 | W | 52.2 | Low | 58.2 | Low | 171 Ų | 171 | 105.2 Ų | 105.2 | 65% | 0.648 | 51% | 0.512 | S | S | * | . | trans | -58.6 | 108.3 | -178.8 | 178 | 87.6 | 0 | 0 | 0 | 108.1 | N117 P121 V158 | N117-W119 PolarHBondContact O-N 2.69Å; W119-P121 HydrophobicContact CH2-CB 3.86Å; W119-P121 HydrophobicContact CZ3-CB 3.84Å; W119-P121 HydrophobicContact CZ3-CG 4.46Å; W119-V158 HydrophobicContact CH2-CG1 4.29Å | ||
| 120 | Q | 57.4 | Low | 58.6 | Low | 131 Ų | 131 | 103.1 Ų | 103.1 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 129.5 | 173.8 | -66.5 | -175.6 | -3 | 0 | 0 | 108.4 | P118 | P118-Q120 PolarHBondContact O-N 2.86Š|
| 121 | P | 61.3 | Low | 58.7 | Low | 22 Ų | 22 | 111.4 Ų | 111.4 | 14% | 0.143 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 152.8 | 171 | 26.9 | -33 | 0 | 0 | 0 | 109.7 | W119 V125 L126 | W119-P121 HydrophobicContact CH2-CB 3.86Å; W119-P121 HydrophobicContact CZ3-CB 3.84Å; W119-P121 HydrophobicContact CZ3-CG 4.46Å; P121-V125 HydrophobicContact CB-CB 4.29Å; P121-V125 HydrophobicContact CB-CG1 4.36Å; P121-L126 HydrophobicContact CG-CD1 4.34Å; P121-L126 HydrophobicContact CG-CD2 3.61Å; P121-L126 HydrophobicContact CG-CG 3.89Å |
| 122 | K | 62.7 | Low | 58.9 | Low | 132 Ų | 132 | 114.2 Ų | 114.2 | 57% | 0.574 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 142.3 | -178.8 | -68.5 | 178.3 | 177.7 | 178.6 | 0 | 110 | H124 V125 | K122-H124 VanDerWaalsContact CB-CE1 3.41Å; K122-H124 WeakPolarHBondContact CB-CE1 3.39Å; K122-H124 WeakPolarHBondContact CB-ND1 3.17Å; K122-H124 PolarHBondContact O-N 2.77Å; K122-V125 WeakPolarHBondContact O-CB 3.43Å; K122-V125 PolarHBondContact O-N 2.74Å |
| 123 | P | 60.1 | Low | 59 | Low | 84 Ų | 84 | 110.4 Ų | 110.4 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -52.3 | -34.1 | -172.3 | -28.6 | 33.5 | 0 | 0 | 0 | 115 | V125 L126 D127 | P123-V125 VanDerWaalsContact C-N 3.28Å; P123-V125 PolarHBondContact O-N 2.6Å; P123-L126 WeakPolarHBondContact O-CB 3.24Å; P123-L126 PolarHBondContact O-N 3.33Å; P123-D127 VanDerWaalsContact O-CG 3.27Å; P123-D127 PolarHBondContact O-N 3.39Å; P123-D127 VanDerWaalsContact O-N 3.07Å |
| 124 | H | 66.3 | Low | 59.2 | Low | 93 Ų | 93 | 111 Ų | 111 | 43% | 0.431 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -28.3 | 177.8 | 69.8 | -97.2 | 0 | 0 | 0 | 113.7 | K122 M128 | K122-H124 VanDerWaalsContact CB-CE1 3.41Å; K122-H124 WeakPolarHBondContact CB-CE1 3.39Å; K122-H124 WeakPolarHBondContact CB-ND1 3.17Å; K122-H124 PolarHBondContact O-N 2.77Å; H124-M128 PolarHBondContact O-N 3.49Å |
| 125 | V | 67.2 | Low | 59.5 | Low | 19 Ų | 19 | 106.2 Ų | 106.2 | 12% | 0.115 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -73.1 | -37.7 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | P121 K122 P123 D127 M128 Q129 V158 | P121-V125 HydrophobicContact CB-CB 4.29Å; P121-V125 HydrophobicContact CB-CG1 4.36Å; K122-V125 WeakPolarHBondContact O-CB 3.43Å; K122-V125 PolarHBondContact O-N 2.74Å; P123-V125 VanDerWaalsContact C-N 3.28Å; P123-V125 PolarHBondContact O-N 2.6Å; V125-D127 VanDerWaalsContact C-N 3.33Å; V125-M128 HydrophobicContact CG1-CE 4.49Å; V125-M128 PolarHBondContact O-N 2.91Å; V125-Q129 PolarHBondContact O-N 2.8Å; V125-V158 HydrophobicContact CG1-CG2 4.18Å |
| 126 | L | 64 | Low | 59.9 | Low | 10 Ų | 10 | 99 Ų | 99 | 5% | 0.052 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -67.9 | -34.2 | 176.4 | -65.2 | 171.5 | 0 | 0 | 0 | 111.6 | P121 P123 M128 Q129 S133 R134 L137 | P121-L126 HydrophobicContact CG-CD1 4.34Å; P121-L126 HydrophobicContact CG-CD2 3.61Å; P121-L126 HydrophobicContact CG-CG 3.89Å; P123-L126 WeakPolarHBondContact O-CB 3.24Å; P123-L126 PolarHBondContact O-N 3.33Å; L126-M128 VanDerWaalsContact C-N 3.29Å; L126-M128 PolarHBondContact O-N 3.44Å; L126-Q129 WeakPolarHBondContact O-CB 3.41Å; L126-Q129 PolarHBondContact O-N 3.3Å; L126-Q129 VanDerWaalsContact O-N 3.08Å; L126-S133 PolarHBondContact O-OG 3.25Å; L126-R134 HydrophobicContact CB-CG 3.85Å; L126-R134 HydrophobicContact CD1-CG 4.19Å; L126-L137 HydrophobicContact CD1-CD1 3.93Å; L126-L137 HydrophobicContact CD2-CD1 4Å |
| 127 | D | 69.1 | Low | 60.1 | Low | 89 Ų | 89 | 94.8 Ų | 94.8 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -33.2 | 177 | -64.9 | -25.3 | 0 | 0 | 0 | 112.8 | P123 V125 Q129 R134 | P123-D127 VanDerWaalsContact O-CG 3.27Å; P123-D127 PolarHBondContact O-N 3.39Å; P123-D127 VanDerWaalsContact O-N 3.07Å; V125-D127 VanDerWaalsContact C-N 3.33Å; D127-Q129 VanDerWaalsContact C-N 3.27Å; D127-Q129 PolarHBondContact O-N 2.7Å; D127-R134 IonicContact OD1-CZ 3.01Å; D127-R134 IonicContact OD1-NE 2.8Å; D127-R134 PolarHBondContact OD1-NE 2.8Å; D127-R134 IonicContact OD1-NH2 2.8Å; D127-R134 PolarHBondContact OD1-NH2 2.68Å; D127-R134 IonicContact OD2-CZ 3.86Å; D127-R134 IonicContact OD2-NH2 2.68Å; D127-R134 PolarHBondContact OD2-NH2 2.71Å |
| 128 | M | 69.4 | Low | 60 | Low | 118 Ų | 118 | 91 Ų | 91 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70.9 | -22.9 | 173.7 | -64.3 | -170.2 | -62.1 | 0 | 0 | 112.9 | H124 V125 L126 G130 | H124-M128 PolarHBondContact O-N 3.49Å; V125-M128 HydrophobicContact CG1-CE 4.49Å; V125-M128 PolarHBondContact O-N 2.91Å; L126-M128 VanDerWaalsContact C-N 3.29Å; L126-M128 PolarHBondContact O-N 3.44Å; M128-G130 VanDerWaalsContact C-N 3.34Å |
| 129 | Q | 63.5 | Low | 59.6 | Low | 83 Ų | 83 | 96.5 Ų | 96.5 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -81.3 | -12.7 | -178.6 | -167.6 | 179.2 | -3.5 | 0 | 0 | 112.8 | V125 L126 D127 W154 | V125-Q129 PolarHBondContact O-N 2.8Å; L126-Q129 WeakPolarHBondContact O-CB 3.41Å; L126-Q129 PolarHBondContact O-N 3.3Å; L126-Q129 VanDerWaalsContact O-N 3.08Å; D127-Q129 VanDerWaalsContact C-N 3.27Å; D127-Q129 PolarHBondContact O-N 2.7Å; Q129-W154 HydrophobicContact CG-CH2 4.46Å; Q129-W154 HydrophobicContact CG-CZ3 4.47Å |
| 130 | G | 67.7 | Low | 59.3 | Low | 35 Ų | 35 | 94 Ų | 94 | 36% | 0.361 | 48% | 0.476 | S | S | . | . | trans | 114.2 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | M128 Q132 S133 | M128-G130 VanDerWaalsContact C-N 3.34Å; G130-Q132 PolarHBondContact O-N 3.41Å; G130-S133 PolarHBondContact O-N 3.36Å; G130-S133 PolarHBondContact O-OG 3.46Å | ||
| 131 | K | 60.4 | Low | 58.8 | Low | 223 Ų | 223 | 93.5 Ų | 93.5 | 97% | 0.97 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -10.3 | -163.8 | -123.3 | 172.3 | -177.8 | 178.5 | 0 | 116.2 | ||
| 132 | Q | 58.8 | Low | 58.2 | Low | 162 Ų | 162 | 95.8 Ų | 95.8 | 76% | 0.757 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.4 | 1 | -174.7 | -66.9 | 179.9 | -17.6 | 0 | 0 | 114.2 | G130 R134 A135 S136 | G130-Q132 PolarHBondContact O-N 3.41Å; Q132-R134 VanDerWaalsContact C-N 3.26Å; Q132-R134 PolarHBondContact O-N 2.63Å; Q132-A135 PolarHBondContact O-N 3.08Å; Q132-S136 PolarHBondContact O-N 3.46Å |
| 133 | S | 57.5 | Low | 57.4 | Low | 8 Ų | 8 | 95.5 Ų | 95.5 | 6% | 0.056 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -36 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | L126 G130 A135 S136 | L126-S133 PolarHBondContact O-OG 3.25Å; G130-S133 PolarHBondContact O-N 3.36Å; G130-S133 PolarHBondContact O-OG 3.46Å; S133-A135 VanDerWaalsContact C-N 3.26Å; S133-A135 PolarHBondContact O-N 3.07Å; S133-S136 PolarHBondContact O-OG 3.19Å |
| 134 | R | 59.5 | Low | 56.8 | Low | 142 Ų | 142 | 99.5 Ų | 99.5 | 54% | 0.536 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -24.9 | 177.8 | -63.9 | -179 | 173.5 | -153.5 | -1.8 | 112.9 | L126 D127 Q132 | L126-R134 HydrophobicContact CB-CG 3.85Å; L126-R134 HydrophobicContact CD1-CG 4.19Å; D127-R134 IonicContact OD1-CZ 3.01Å; D127-R134 IonicContact OD1-NE 2.8Å; D127-R134 PolarHBondContact OD1-NE 2.8Å; D127-R134 IonicContact OD1-NH2 2.8Å; D127-R134 PolarHBondContact OD1-NH2 2.68Å; D127-R134 IonicContact OD2-CZ 3.86Å; D127-R134 IonicContact OD2-NH2 2.68Å; D127-R134 PolarHBondContact OD2-NH2 2.71Å; Q132-R134 VanDerWaalsContact C-N 3.26Å; Q132-R134 PolarHBondContact O-N 2.63Å |
| 135 | A | 55.2 | Low | 55.8 | Low | 78 Ų | 78 | 102.4 Ų | 102.4 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -23.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q132 S133 L137 | Q132-A135 PolarHBondContact O-N 3.08Å; S133-A135 VanDerWaalsContact C-N 3.26Å; S133-A135 PolarHBondContact O-N 3.07Å; A135-L137 VanDerWaalsContact C-N 3.34Å; A135-L137 PolarHBondContact O-N 3.34Å |
| 136 | S | 53.1 | Low | 54.6 | Low | 66 Ų | 66 | 105.5 Ų | 105.5 | 46% | 0.462 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -82.8 | -5.7 | -176.3 | 75.4 | 0 | 0 | 0 | 0 | 114.6 | Q132 S133 A138 | Q132-S136 PolarHBondContact O-N 3.46Å; S133-S136 PolarHBondContact O-OG 3.19Å; S136-A138 VanDerWaalsContact C-N 3.31Å; S136-A138 PolarHBondContact O-N 3.32Å |
| 137 | L | 54.7 | Low | 53.7 | Low | 71 Ų | 71 | 110.8 Ų | 110.8 | 37% | 0.372 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -75.3 | -17.2 | -178.7 | -69.2 | 170 | 0 | 0 | 0 | 113.8 | L126 A135 W139 | L126-L137 HydrophobicContact CD1-CD1 3.93Å; L126-L137 HydrophobicContact CD2-CD1 4Å; A135-L137 VanDerWaalsContact C-N 3.34Å; A135-L137 PolarHBondContact O-N 3.34Å; L137-W139 PolarHBondContact O-N 2.9Å |
| 138 | A | 48 | Very low | 52.7 | Low | 64 Ų | 64 | 113.7 Ų | 113.7 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -79.6 | -14.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S136 | S136-A138 VanDerWaalsContact C-N 3.31Å; S136-A138 PolarHBondContact O-N 3.32Å |
| 139 | W | 43.7 | Very low | 51.7 | Low | 225 Ų | 225 | 115.1 Ų | 115.1 | 85% | 0.852 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -143.8 | 2.5 | -164 | -64.8 | 107.2 | 0 | 0 | 0 | 118.1 | L137 V141 | L137-W139 PolarHBondContact O-N 2.9Å; W139-V141 PolarHBondContact O-N 2.87Å |
| 140 | H | 45.7 | Very low | 50.8 | Low | 118 Ų | 118 | 119.5 Ų | 119.5 | 55% | 0.546 | 62% | 0.62 | S | S | . | * | trans | -102.4 | 74.7 | 175.9 | -74.4 | -77.6 | 0 | 0 | 0 | 111.3 | G142 D143 | H140-G142 VanDerWaalsContact C-N 3.32Å; H140-D143 IonicContact CG-OD2 3.73Å; H140-D143 IonicContact ND1-OD2 3.36Å; H140-D143 PolarHBondContact ND1-OD2 3.01Å | ||
| 141 | V | 47.8 | Very low | 49.7 | Very low | 121 Ų | 121 | 125 Ų | 125 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | trans | -75.1 | -24.8 | 174.2 | -178 | 0 | 0 | 0 | 0 | 111.4 | W139 D143 | W139-V141 PolarHBondContact O-N 2.87Å; V141-D143 PolarHBondContact O-N 2.83Å | ||
| 142 | G | 47.1 | Very low | 49.4 | Very low | 70 Ų | 70 | 117.4 Ų | 117.4 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -20.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H140 | H140-G142 VanDerWaalsContact C-N 3.32Š|
| 143 | D | 47.4 | Very low | 49.2 | Very low | 127 Ų | 127 | 118.2 Ų | 118.2 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 2.5 | -173.9 | -59.3 | -34.8 | 0 | 0 | 0 | 113.3 | H140 V141 | H140-D143 IonicContact CG-OD2 3.73Å; H140-D143 IonicContact ND1-OD2 3.36Å; H140-D143 PolarHBondContact ND1-OD2 3.01Å; V141-D143 PolarHBondContact O-N 2.83Å |
| 144 | F | 47 | Very low | 49 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | trans | -112.3 | 12.4 | -172.3 | -90.3 | -81.3 | 0 | 0 | 0 | 115.1 | ||||
| 145 | E | 44.7 | Very low | 48.8 | Very low | 155 Ų | 155 | 118.7 Ų | 118.7 | 72% | 0.724 | 62% | 0.62 | S | S | * | * | trans | -103 | 83.4 | 177.1 | -69.4 | -76.7 | 167 | 0 | 0 | 109.9 | ||||
| 146 | D | 42 | Very low | 49 | Very low | 84 Ų | 84 | 119.6 Ų | 119.6 | 45% | 0.449 | 61% | 0.614 | S | S | . | * | trans | -170.3 | 97.7 | 139.6 | -156.1 | -9.2 | 0 | 0 | 0 | 109.1 | D148 Q149 | D146-D148 PolarHBondContact O-N 3.16Å; D146-Q149 HydrophobicContact CB-CB 4.41Å; D146-Q149 PolarHBondContact O-N 3.49Å; D146-Q149 WeakPolarHBondContact OD2-CG 3.47Å; D146-Q149 PolarHBondContact OD2-NE2 3.37Å | ||
| 147 | T | 45.8 | Very low | 49.4 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -66.7 | -19.8 | -178.2 | 14.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 148 | D | 46.7 | Very low | 49.5 | Very low | 151 Ų | 151 | 117.3 Ų | 117.3 | 81% | 0.807 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -90.2 | -9.8 | -175.2 | -65.2 | -26.4 | 0 | 0 | 0 | 112.9 | D146 | D146-D148 PolarHBondContact O-N 3.16Š|
| 149 | Q | 48.8 | Very low | 50.2 | Low | 148 Ų | 148 | 123 Ų | 123 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -104.6 | 36.3 | 176.8 | -65 | -170.7 | 34.2 | 0 | 0 | 113.6 | D146 N151 | D146-Q149 HydrophobicContact CB-CB 4.41Å; D146-Q149 PolarHBondContact O-N 3.49Å; D146-Q149 WeakPolarHBondContact OD2-CG 3.47Å; D146-Q149 PolarHBondContact OD2-NE2 3.37Å; Q149-N151 PolarHBondContact O-N 2.83Å |
| 150 | R | 45.7 | Very low | 51.1 | Low | 174 Ų | 174 | 117.2 Ų | 117.2 | 66% | 0.657 | 59% | 0.587 | S | S | * | * | trans | -73.2 | 41.7 | -171.4 | -137.5 | -168 | -176.7 | 175 | 5.3 | 116.1 | T155 | R150-T155 HydrophobicContact CG-CG2 4.04Å; R150-T155 PolarHBondContact O-OG1 2.87Å | ||
| 151 | N | 44.5 | Very low | 51.7 | Low | 152 Ų | 152 | 112.9 Ų | 112.9 | 81% | 0.813 | 57% | 0.57 | S | S | * | * | trans | -104.1 | 40.9 | 170.1 | -72.7 | -27.3 | 0 | 0 | 0 | 111.9 | Q149 | Q149-N151 PolarHBondContact O-N 2.83Š| ||
| 152 | S | 54.3 | Low | 52.1 | Low | 63 Ų | 63 | 114.3 Ų | 114.3 | 44% | 0.441 | 57% | 0.567 | S | S | . | * | trans | -67.7 | 141.7 | 168.4 | 71.4 | 0 | 0 | 0 | 0 | 109.4 | W154 T155 | S152-W154 PolarHBondContact O-N 3.28Å; S152-T155 PolarHBondContact O-N 2.85Å; S152-T155 PolarHBondContact O-OG1 3.47Å | ||
| 153 | K | 54.3 | Low | 52.4 | Low | 178 Ų | 178 | 115.7 Ų | 115.7 | 77% | 0.774 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -51.7 | -21 | -178.5 | -64.8 | 178.5 | 179.6 | 177.7 | 0 | 113.5 | ||
| 154 | W | 52.2 | Low | 52.6 | Low | 135 Ų | 135 | 113.4 Ų | 113.4 | 51% | 0.511 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -88.9 | -19.2 | -177 | -54.2 | 107.6 | 0 | 0 | 0 | 114.6 | Q129 S152 I156 L157 V158 | Q129-W154 HydrophobicContact CG-CH2 4.46Å; Q129-W154 HydrophobicContact CG-CZ3 4.47Å; S152-W154 PolarHBondContact O-N 3.28Å; W154-I156 PolarHBondContact O-N 2.99Å; W154-L157 HydrophobicContact CD2-CD1 4.39Å; W154-L157 HydrophobicContact CE3-CD1 3.26Å; W154-L157 HydrophobicContact CZ3-CD1 3.38Å; W154-L157 PolarHBondContact O-N 3.17Å; W154-V158 PolarHBondContact O-N 2.98Å; W154-V158 VanDerWaalsContact O-N 3.14Å |
| 155 | T | 55.6 | Low | 52.4 | Low | 25 Ų | 25 | 111.6 Ų | 111.6 | 15% | 0.153 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -66.5 | -30.2 | 172.8 | 51.3 | 0 | 0 | 0 | 0 | 112 | R150 S152 V158 R159 | R150-T155 HydrophobicContact CG-CG2 4.04Å; R150-T155 PolarHBondContact O-OG1 2.87Å; S152-T155 PolarHBondContact O-N 2.85Å; S152-T155 PolarHBondContact O-OG1 3.47Å; T155-V158 PolarHBondContact O-N 2.91Å; T155-R159 WeakPolarHBondContact O-CG 3.46Å; T155-R159 PolarHBondContact O-N 3.26Å |
| 156 | I | 60.6 | Low | 52.2 | Low | 98 Ų | 98 | 109.6 Ų | 109.6 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.8 | -45.7 | 174.2 | -59 | 170 | 0 | 0 | 0 | 110.1 | W154 V158 R159 Q160 | W154-I156 PolarHBondContact O-N 2.99Å; I156-V158 PolarHBondContact O-N 3.41Å; I156-R159 PolarHBondContact O-N 3.43Å; I156-Q160 HydrophobicContact CG2-CG 4.43Å; I156-Q160 WeakPolarHBondContact O-CB 3.48Å; I156-Q160 VanDerWaalsContact O-CG 3.28Å; I156-Q160 WeakPolarHBondContact O-CG 3.4Å; I156-Q160 PolarHBondContact O-N 3.14Å |
| 157 | L | 60.2 | Low | 52.2 | Low | 58 Ų | 58 | 117.8 Ų | 117.8 | 30% | 0.304 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.5 | -39.6 | 177.5 | -81.9 | 160.7 | 0 | 0 | 0 | 112.6 | W154 Q160 S161 | W154-L157 HydrophobicContact CD2-CD1 4.39Å; W154-L157 HydrophobicContact CE3-CD1 3.26Å; W154-L157 HydrophobicContact CZ3-CD1 3.38Å; W154-L157 PolarHBondContact O-N 3.17Å; L157-Q160 PolarHBondContact O-N 3.5Å; L157-S161 WeakPolarHBondContact O-CB 3.28Å; L157-S161 PolarHBondContact O-N 2.84Å |
| 158 | V | 57.4 | Low | 51.9 | Low | 30 Ų | 30 | 116.1 Ų | 116.1 | 18% | 0.182 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -65.7 | -41.3 | 174.6 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | W119 V125 W154 T155 I156 S161 K162 | W119-V158 HydrophobicContact CH2-CG1 4.29Å; V125-V158 HydrophobicContact CG1-CG2 4.18Å; W154-V158 PolarHBondContact O-N 2.98Å; W154-V158 VanDerWaalsContact O-N 3.14Å; T155-V158 PolarHBondContact O-N 2.91Å; I156-V158 PolarHBondContact O-N 3.41Å; V158-S161 PolarHBondContact O-N 2.76Å; V158-S161 PolarHBondContact O-OG 3.22Å; V158-K162 WeakPolarHBondContact O-CG 3.42Å; V158-K162 PolarHBondContact O-N 2.95Å |
| 159 | R | 62 | Low | 51.7 | Low | 184 Ų | 184 | 114.7 Ų | 114.7 | 69% | 0.694 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.2 | -42.8 | 174.8 | -77.1 | -179.5 | 178.3 | 177.6 | 1.1 | 111.7 | T155 I156 S161 K162 S163 | T155-R159 WeakPolarHBondContact O-CG 3.46Å; T155-R159 PolarHBondContact O-N 3.26Å; I156-R159 PolarHBondContact O-N 3.43Å; R159-S161 PolarHBondContact O-N 2.71Å; R159-K162 PolarHBondContact O-N 3.24Å; R159-K162 VanDerWaalsContact O-N 3.14Å; R159-S163 PolarHBondContact O-N 3.14Å; R159-S163 PolarHBondContact O-OG 3.47Å |
| 160 | Q | 62.3 | Low | 51.7 | Low | 103 Ų | 103 | 116.8 Ų | 116.8 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.1 | -41.2 | 176.3 | -75.4 | 174.9 | -13.6 | 0 | 0 | 112.2 | I156 L157 K162 S163 S164 | I156-Q160 HydrophobicContact CG2-CG 4.43Å; I156-Q160 WeakPolarHBondContact O-CB 3.48Å; I156-Q160 VanDerWaalsContact O-CG 3.28Å; I156-Q160 WeakPolarHBondContact O-CG 3.4Å; I156-Q160 PolarHBondContact O-N 3.14Å; L157-Q160 PolarHBondContact O-N 3.5Å; Q160-K162 PolarHBondContact O-N 3.49Å; Q160-S163 WeakPolarHBondContact CA-OG 3.43Å; Q160-S163 PolarHBondContact O-N 3.29Å; Q160-S163 PolarHBondContact O-OG 3.41Å; Q160-S164 WeakPolarHBondContact O-CB 3.35Å; Q160-S164 PolarHBondContact O-N 3.36Å; Q160-S164 VanDerWaalsContact O-N 3.07Å; Q160-S164 PolarHBondContact O-OG 3.43Å; Q160-S164 VanDerWaalsContact O-OG 3.14Å |
| 161 | S | 58.9 | Low | 51.4 | Low | 27 Ų | 27 | 113.6 Ų | 113.6 | 19% | 0.189 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -63.9 | -27.6 | 175.5 | 76.3 | 0 | 0 | 0 | 0 | 113.5 | L157 V158 R159 | L157-S161 WeakPolarHBondContact O-CB 3.28Å; L157-S161 PolarHBondContact O-N 2.84Å; V158-S161 PolarHBondContact O-N 2.76Å; V158-S161 PolarHBondContact O-OG 3.22Å; R159-S161 PolarHBondContact O-N 2.71Å |
| 162 | K | 56.2 | Low | 51 | Low | 151 Ų | 151 | 116.3 Ų | 116.3 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -80.4 | -35.2 | 175.9 | -73 | -179.5 | 178.2 | -175.2 | 0 | 112 | V158 R159 Q160 S164 | V158-K162 WeakPolarHBondContact O-CG 3.42Å; V158-K162 PolarHBondContact O-N 2.95Å; R159-K162 PolarHBondContact O-N 3.24Å; R159-K162 VanDerWaalsContact O-N 3.14Å; Q160-K162 PolarHBondContact O-N 3.49Å; K162-S164 VanDerWaalsContact C-N 3.32Å |
| 163 | S | 54.2 | Low | 50.3 | Low | 100 Ų | 100 | 121.4 Ų | 121.4 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.7 | -22.5 | 176.1 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | R159 Q160 | R159-S163 PolarHBondContact O-N 3.14Å; R159-S163 PolarHBondContact O-OG 3.47Å; Q160-S163 WeakPolarHBondContact CA-OG 3.43Å; Q160-S163 PolarHBondContact O-N 3.29Å; Q160-S163 PolarHBondContact O-OG 3.41Å |
| 164 | S | 51.3 | Low | 49.9 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 29 | -173.4 | 72.6 | 0 | 0 | 0 | 0 | 114.4 | Q160 K162 P166 | Q160-S164 WeakPolarHBondContact O-CB 3.35Å; Q160-S164 PolarHBondContact O-N 3.36Å; Q160-S164 VanDerWaalsContact O-N 3.07Å; Q160-S164 PolarHBondContact O-OG 3.43Å; Q160-S164 VanDerWaalsContact O-OG 3.14Å; K162-S164 VanDerWaalsContact C-N 3.32Å; S164-P166 WeakPolarHBondContact O-CD 2.89Å |
| 165 | L | 42.8 | Very low | 49.4 | Very low | 129 Ų | 129 | 119.8 Ų | 119.8 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | trans | -84.2 | 102.8 | 173.3 | -78 | 167.5 | 0 | 0 | 0 | 110.3 | R167 | L165-R167 PolarHBondContact O-N 2.83Š| ||
| 166 | P | 40.8 | Very low | 49.3 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | trans | -68.5 | 125.9 | 156.4 | 29.3 | -31.3 | 0 | 0 | 0 | 107.9 | S164 A168 | S164-P166 WeakPolarHBondContact O-CD 2.89Å; P166-A168 VanDerWaalsContact C-N 3.31Å; P166-A168 PolarHBondContact O-N 3.23Å | ||
| 167 | R | 41.4 | Very low | 48.5 | Very low | 255 Ų | 255 | 131.3 Ų | 131.3 | 96% | 0.962 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -58.3 | 86.5 | 169.6 | -176.7 | -176 | -168.5 | 178.2 | 3.5 | 110.2 | L165 | L165-R167 PolarHBondContact O-N 2.83Š|
| 168 | A | 38.7 | Very low | 47.9 | Very low | 86 Ų | 86 | 134.2 Ų | 134.2 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | trans | -169.5 | 103.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P166 K170 | P166-A168 VanDerWaalsContact C-N 3.31Å; P166-A168 PolarHBondContact O-N 3.23Å; A168-K170 PolarHBondContact O-N 3.3Å | ||
| 169 | S | 43.2 | Very low | 47.7 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -63.2 | 112.4 | 166.4 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 170 | K | 48.2 | Very low | 47 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | -84.2 | 126.5 | 157.1 | -85.7 | -179.4 | 176.4 | 176.7 | 0 | 108 | A168 F172 | A168-K170 PolarHBondContact O-N 3.3Å; K170-F172 PolarHBondContact O-N 3.07Å | ||
| 171 | P | 39.7 | Very low | 46.4 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | trans | -67.8 | 135.5 | 176.5 | 26.7 | -30.7 | 0 | 0 | 0 | 109.9 | M173 | P171-M173 PolarHBondContact O-N 2.85Š| ||
| 172 | F | 37.6 | Very low | 45.9 | Very low | 210 Ų | 210 | 156.1 Ų | 156.1 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -62.5 | 112.7 | 172.3 | -103.5 | -96 | 0 | 0 | 0 | 109 | K170 L174 | K170-F172 PolarHBondContact O-N 3.07Å; F172-L174 PolarHBondContact O-N 3.05Å | ||
| 173 | M | 39.8 | Very low | 45.5 | Very low | 169 Ų | 169 | 158.4 Ų | 158.4 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | trans | -74.8 | 112.4 | 169.2 | -73.6 | -73.6 | 174 | 0 | 0 | 108.4 | P171 | P171-M173 PolarHBondContact O-N 2.85Š| ||
| 174 | L | 45.2 | Very low | 45 | Very low | 156 Ų | 156 | 165.3 Ų | 165.3 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140.4 | 170.9 | -75.8 | 162.1 | 0 | 0 | 0 | 110.2 | F172 K176 | F172-L174 PolarHBondContact O-N 3.05Å; L174-K176 PolarHBondContact O-N 3.14Å |
| 175 | P | 41.2 | Very low | 44.9 | Very low | 123 Ų | 123 | 171.2 Ų | 171.2 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 128.4 | 176.4 | 25.8 | -30.9 | 0 | 0 | 0 | 110.4 | ||
| 176 | K | 53 | Low | 45 | Very low | 206 Ų | 206 | 177.7 Ų | 177.7 | 90% | 0.896 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 129.8 | -179.9 | -68.8 | 178.8 | -179.5 | 174.8 | 0 | 110.5 | L174 | L174-K176 PolarHBondContact O-N 3.14Š|
| 177 | L | 43.8 | Very low | 45.2 | Very low | 159 Ų | 159 | 181 Ų | 181 | 83% | 0.832 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 142.8 | 171.7 | -83.2 | 159.5 | 0 | 0 | 0 | 111.5 | ||
| 178 | P | 49.2 | Very low | 45.4 | Very low | 120 Ų | 120 | 177.1 Ų | 177.1 | 78% | 0.779 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 134.5 | 178.1 | 27.5 | -31.9 | 0 | 0 | 0 | 111.6 | ||
| 179 | K | 51.9 | Low | 45.8 | Very low | 208 Ų | 208 | 182.1 Ų | 182.1 | 90% | 0.904 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 127.4 | 177.3 | -70.5 | 179 | 177 | 179.2 | 0 | 110.2 | E181 | K179-E181 PolarHBondContact O-N 2.86Š|
| 180 | K | 47.4 | Very low | 46 | Very low | 207 Ų | 207 | 185.7 Ų | 185.7 | 90% | 0.9 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 122.7 | 170 | -90.6 | -178.1 | 172.4 | 176.7 | 0 | 110.5 | ||
| 181 | E | 49.4 | Very low | 45.8 | Very low | 184 Ų | 184 | 185.3 Ų | 185.3 | 86% | 0.86 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 125.8 | 165.8 | -74.5 | -177.1 | 151.3 | 0 | 0 | 110.5 | K179 K183 | K179-E181 PolarHBondContact O-N 2.86Å; E181-K183 PolarHBondContact O-N 3.35Å |
| 182 | K | 48.1 | Very low | 46.2 | Very low | 204 Ų | 204 | 190.6 Ų | 190.6 | 89% | 0.887 | 89% | 0.889 | S | S | * | * | trans | -84.5 | 108.1 | 167.1 | -73.5 | -176.1 | 176.8 | -179.3 | 0 | 108.3 | R184 | K182-R184 PolarHBondContact O-N 3.39Š| ||
| 183 | K | 48.2 | Very low | 46.9 | Very low | 200 Ų | 200 | 189.2 Ų | 189.2 | 87% | 0.87 | 89% | 0.886 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.1 | 167.2 | -74.1 | -175.1 | 175.5 | -177.1 | 0 | 109.4 | E181 | E181-K183 PolarHBondContact O-N 3.35Š|
| 184 | R | 43.8 | Very low | 47.4 | Very low | 244 Ų | 244 | 190.8 Ų | 190.8 | 92% | 0.921 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 128.2 | 167.5 | -69.7 | -178.7 | 173 | -175.1 | -2.9 | 108.2 | K182 | K182-R184 PolarHBondContact O-N 3.39Š|
| 185 | K | 49.9 | Very low | 47.6 | Very low | 204 Ų | 204 | 193.7 Ų | 193.7 | 89% | 0.887 | 90% | 0.897 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 133.7 | 165.5 | -75.5 | -174.7 | 174.9 | -175.5 | 0 | 107.9 | ||
| 186 | H | 45.3 | Very low | 48.2 | Very low | 265 Ų | 265 | 200.1 Ų | 200.1 | 100% | 1.227 | 91% | 0.906 | S | S | * | * | trans | -63.9 | 0 | 165.1 | -92.4 | -85.5 | 0 | 0 | 0 | 110.7 |
Retrieved 186 of 186 residues in 130.9 ms
(Link to these results)