| 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 | 40 | Very low | 46 | Very low | 229 Ų | 229 | 153.9 Ų | 153.9 | 100% | 1.128 | 81% | 0.812 | S | S | * | * | 0 | 110.6 | 0 | -65.3 | 178.3 | -175.1 | 0 | 0 | 106.1 | |||||
| 2 | F | 39 | Very low | 46.1 | Very low | 186 Ų | 186 | 157.3 Ų | 157.3 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | -149.4 | 129.1 | 63.6 | -75.8 | -93.5 | 0 | 0 | 0 | 110.9 | R4 | F2-R4 PolarHBondContact O-N 3.35Š| |||
| 3 | A | 43 | Very low | 45.8 | Very low | 113 Ų | 113 | 153.1 Ų | 153.1 | 93% | 0.934 | 79% | 0.794 | S | S | * | * | trans | -83.9 | 96.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | R | 46.3 | Very low | 46.3 | Very low | 224 Ų | 224 | 151.8 Ų | 151.8 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -92.9 | 119.2 | 175.8 | -78.5 | -172.5 | 176.7 | -179.6 | 0 | 109.7 | F2 G6 | F2-R4 PolarHBondContact O-N 3.35Å; R4-G6 PolarHBondContact O-N 2.95Å | ||
| 5 | L | 45.8 | Very low | 46.5 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 98% | 0.984 | 79% | 0.787 | S | S | * | * | trans | -46.1 | 100.8 | 165.3 | -69.4 | 150.7 | 0 | 0 | 0 | 110 | ||||
| 6 | G | 41.2 | Very low | 46.4 | Very low | 70 Ų | 70 | 147.1 Ų | 147.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -146 | 130.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | R4 | R4-G6 PolarHBondContact O-N 2.95Š| ||
| 7 | S | 53.6 | Low | 46.6 | Very low | 106 Ų | 106 | 153 Ų | 153 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | cis | -147.6 | 129.8 | 19.3 | 49.8 | 0 | 0 | 0 | 0 | 106.5 | N9 | S7-N9 PolarHBondContact O-N 2.97Š| ||
| 8 | I | 52 | Low | 46.7 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -49.8 | 115.6 | 161.3 | -67.4 | 152.7 | 0 | 0 | 0 | 105.9 | W10 | I8-W10 PolarHBondContact O-N 3Å; I8-W10 PolarHBondContact O-NE1 3.23Å | ||
| 9 | N | 44.3 | Very low | 46.7 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 58% | 0.583 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 98.7 | -177.6 | -171.5 | -15.7 | 0 | 0 | 0 | 107.4 | S7 N11 | S7-N9 PolarHBondContact O-N 2.97Å; N9-N11 PolarHBondContact O-N 3.29Å; N9-N11 WeakPolarHBondContact OD1-CB 3.2Å; N9-N11 PolarHBondContact OD1-N 3.44Å; N9-N11 PolarHBondContact OD1-ND2 2.93Å | ||
| 10 | W | 45.1 | Very low | 47.1 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -65.8 | 5.5 | -178.5 | -67.2 | 91.6 | 0 | 0 | 0 | 113.7 | I8 F12 L13 | I8-W10 PolarHBondContact O-N 3Å; I8-W10 PolarHBondContact O-NE1 3.23Å; W10-F12 PolarHBondContact O-N 3.05Å; W10-L13 HydrophobicContact CE3-CD1 3.62Å; W10-L13 HydrophobicContact CZ3-CD1 3.8Å; W10-L13 PolarHBondContact O-N 2.94Å |
| 11 | N | 55.3 | Low | 47.1 | Very low | 145 Ų | 145 | 151 Ų | 151 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -61.7 | -8.2 | 169.8 | -70.4 | -15.5 | 0 | 0 | 0 | 113.8 | N9 | N9-N11 PolarHBondContact O-N 3.29Å; N9-N11 WeakPolarHBondContact OD1-CB 3.2Å; N9-N11 PolarHBondContact OD1-N 3.44Å; N9-N11 PolarHBondContact OD1-ND2 2.93Å |
| 12 | F | 47.3 | Very low | 47.6 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -87.4 | 0.4 | 177.3 | -150.9 | -96.3 | 0 | 0 | 0 | 114.8 | W10 P14 | W10-F12 PolarHBondContact O-N 3.05Å; F12-P14 WeakPolarHBondContact O-CD 3.1Å |
| 13 | L | 42.5 | Very low | 48.4 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 54% | 0.539 | 75% | 0.752 | S | S | . | * | trans | -97 | 99.8 | 170.4 | -75.3 | 174 | 0 | 0 | 0 | 110.3 | W10 A15 | W10-L13 HydrophobicContact CE3-CD1 3.62Å; W10-L13 HydrophobicContact CZ3-CD1 3.8Å; W10-L13 PolarHBondContact O-N 2.94Å; L13-A15 PolarHBondContact O-N 2.95Å | ||
| 14 | P | 52.9 | Low | 48.9 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 19.9 | 172.3 | 31.5 | -34.9 | 0 | 0 | 0 | 113.2 | F12 | F12-P14 WeakPolarHBondContact O-CD 3.1Š|
| 15 | A | 49.1 | Very low | 48.9 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 60% | 0.603 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 1.3 | -156.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | L13 | L13-A15 PolarHBondContact O-N 2.95Š|
| 16 | L | 44.8 | Very low | 49 | Very low | 156 Ų | 156 | 128 Ų | 128 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | trans | -137.3 | 25.8 | -178 | -74.6 | 172.4 | 0 | 0 | 0 | 115.4 | L18 | L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 3.07Å | ||
| 17 | R | 50 | Low | 49 | Very low | 247 Ų | 247 | 132.9 Ų | 132.9 | 93% | 0.932 | 72% | 0.716 | S | S | * | * | trans | -81.9 | 91.2 | 166.9 | -132 | 175.8 | -173.9 | 149.9 | 2.2 | 108.4 | ||||
| 18 | L | 48.4 | Very low | 48.6 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | -40.4 | 136.8 | 168.7 | -71.8 | 152.3 | 0 | 0 | 0 | 109.7 | L16 A20 | L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 3.07Å; L18-A20 PolarHBondContact O-N 3.09Å; L18-A20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | P | 46.1 | Very low | 48.5 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | trans | -53 | 123.4 | 177.5 | 22.4 | -31.9 | 0 | 0 | 0 | 108.4 | Y21 | P19-Y21 PolarHBondContact O-N 2.97Š| ||
| 20 | A | 54.7 | Low | 48.9 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 79% | 0.793 | 73% | 0.731 | S | S | * | * | trans | -60 | 111 | 179 | 0 | 0 | 0 | 0 | 0 | 108.1 | L18 G22 | L18-A20 PolarHBondContact O-N 3.09Å; L18-A20 VanDerWaalsContact O-N 3.09Å; A20-G22 VanDerWaalsContact C-N 3.33Å; A20-G22 PolarHBondContact O-N 2.92Å | ||
| 21 | Y | 47.6 | Very low | 49.5 | Very low | 219 Ų | 219 | 138.6 Ų | 138.6 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | trans | -64.1 | 94.3 | 171.9 | -164.2 | -95.6 | 0 | 0 | 0 | 107.2 | P19 | P19-Y21 PolarHBondContact O-N 2.97Š| ||
| 22 | G | 49.8 | Very low | 49.6 | Very low | 29 Ų | 29 | 137.8 Ų | 137.8 | 30% | 0.299 | 72% | 0.72 | S | S | . | * | trans | -63.6 | 139.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | A20 D24 G25 | A20-G22 VanDerWaalsContact C-N 3.33Å; A20-G22 PolarHBondContact O-N 2.92Å; G22-D24 PolarHBondContact O-N 3.28Å; G22-G25 PolarHBondContact O-N 2.85Å | ||
| 23 | S | 55.8 | Low | 50.1 | Low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -17.6 | -176.8 | 53.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 24 | D | 54.4 | Low | 51.5 | Low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 18 | -170.4 | -53.5 | -6.5 | 0 | 0 | 0 | 112.3 | G22 L26 | G22-D24 PolarHBondContact O-N 3.28Å; D24-L26 PolarHBondContact O-N 2.93Å |
| 25 | G | 46.9 | Very low | 52.4 | Low | 57 Ų | 57 | 132.8 Ų | 132.8 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 66.8 | -5.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | G22 F27 | G22-G25 PolarHBondContact O-N 2.85Å; G25-F27 PolarHBondContact O-N 3.23Å |
| 26 | L | 48.1 | Very low | 53.7 | Low | 130 Ų | 130 | 137.9 Ų | 137.9 | 68% | 0.681 | 70% | 0.697 | S | S | * | * | trans | -75.6 | 111.3 | 172.1 | -90.6 | 118.6 | 0 | 0 | 0 | 109.5 | D24 F28 | D24-L26 PolarHBondContact O-N 2.93Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 2.87Å | ||
| 27 | F | 41.3 | Very low | 55.3 | Low | 173 Ų | 173 | 136 Ų | 136 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | trans | -52.6 | 93.2 | 163.7 | -86.1 | -98.4 | 0 | 0 | 0 | 109.3 | G25 F29 | G25-F27 PolarHBondContact O-N 3.23Å; F27-F29 PolarHBondContact O-N 2.78Å | ||
| 28 | F | 45.3 | Very low | 56.7 | Low | 176 Ų | 176 | 126.2 Ų | 126.2 | 77% | 0.772 | 65% | 0.654 | S | S | * | * | trans | -67.6 | 91.8 | 155 | -79.6 | -84.6 | 0 | 0 | 0 | 105.6 | L26 R30 | L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 2.87Å; F28-R30 PolarHBondContact O-N 2.71Å | ||
| 29 | F | 48 | Very low | 58.5 | Low | 170 Ų | 170 | 121.9 Ų | 121.9 | 75% | 0.746 | 64% | 0.64 | S | S | * | * | trans | -56.5 | 86.7 | 148.9 | -96.7 | -92.9 | 0 | 0 | 0 | 105.3 | F27 V31 | F27-F29 PolarHBondContact O-N 2.78Å; F29-V31 HydrophobicContact CB-CG2 4.48Å; F29-V31 PolarHBondContact O-N 2.9Å | ||
| 30 | R | 52.8 | Low | 60.4 | Low | 216 Ų | 216 | 122.8 Ų | 122.8 | 82% | 0.815 | 63% | 0.63 | S | S | * | * | trans | -63.4 | 92.5 | 157 | -164.8 | 175 | -174.5 | 152.9 | 1.1 | 101.9 | F28 D32 | F28-R30 PolarHBondContact O-N 2.71Å; R30-D32 PolarHBondContact O-N 2.7Å | ||
| 31 | V | 59.4 | Low | 62 | Low | 96 Ų | 96 | 124 Ų | 124 | 58% | 0.582 | 62% | 0.617 | S | S | * | * | trans | -59 | 96.6 | 176 | 177.2 | 0 | 0 | 0 | 0 | 103.4 | F29 Y33 | F29-V31 HydrophobicContact CB-CG2 4.48Å; F29-V31 PolarHBondContact O-N 2.9Å; V31-Y33 WeakPolarHBondContact O-CD2 3.4Å; V31-Y33 PolarHBondContact O-N 2.79Å | ||
| 32 | D | 55.8 | Low | 63.8 | Low | 127 Ų | 127 | 120.1 Ų | 120.1 | 68% | 0.679 | 61% | 0.605 | S | S | * | * | trans | -53.8 | 115.7 | -178.6 | -73.7 | -43.8 | 0 | 0 | 0 | 104.9 | R30 S34 | R30-D32 PolarHBondContact O-N 2.7Å; D32-S34 PolarHBondContact O-N 2.66Å | ||
| 33 | Y | 59 | Low | 65.6 | Low | 187 Ų | 187 | 125.1 Ų | 125.1 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | trans | -67.1 | 73.2 | 178.2 | -91.7 | -106.1 | 0 | 0 | 0 | 106.7 | V31 | V31-Y33 WeakPolarHBondContact O-CD2 3.4Å; V31-Y33 PolarHBondContact O-N 2.79Å | ||
| 34 | S | 70.9 | Confident | 67 | Low | 40 Ų | 40 | 128 Ų | 128 | 28% | 0.28 | 62% | 0.616 | S | S | . | * | trans | -58.9 | 134.1 | 169.6 | -176.3 | 0 | 0 | 0 | 0 | 106.3 | D32 Y36 F37 A38 | D32-S34 PolarHBondContact O-N 2.66Å; S34-Y36 PolarHBondContact O-N 3.06Å; S34-F37 WeakPolarHBondContact O-CA 3.46Å; S34-F37 PolarHBondContact O-N 3.04Å; S34-A38 PolarHBondContact O-N 2.98Å | ||
| 35 | P | 73.4 | Confident | 68.6 | Low | 101 Ų | 101 | 127.2 Ų | 127.2 | 66% | 0.656 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -49.6 | -35 | 174 | -26.8 | 33.5 | 0 | 0 | 0 | 111.8 | A38 A39 | P35-A38 PolarHBondContact O-N 2.83Å; P35-A39 VanDerWaalsContact O-CB 3.3Å; P35-A39 WeakPolarHBondContact O-CB 3.36Å; P35-A39 PolarHBondContact O-N 3.44Å |
| 36 | Y | 75.3 | Confident | 70.4 | Confident | 179 Ų | 179 | 131 Ų | 131 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.5 | -37.7 | 174.8 | -64.4 | -78.9 | 0 | 0 | 0 | 113.8 | S34 R40 | S34-Y36 PolarHBondContact O-N 3.06Å; Y36-R40 WeakPolarHBondContact O-CB 3.4Å; Y36-R40 WeakPolarHBondContact O-CG 3.4Å; Y36-R40 PolarHBondContact O-N 3.34Å |
| 37 | F | 78.1 | Confident | 72.3 | Confident | 116 Ų | 116 | 125.9 Ų | 125.9 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.5 | -41.2 | 174.8 | -82.8 | -67.8 | 0 | 0 | 0 | 111.4 | S34 R40 K41 | S34-F37 WeakPolarHBondContact O-CA 3.46Å; S34-F37 PolarHBondContact O-N 3.04Å; F37-R40 PolarHBondContact O-N 2.82Å; F37-K41 WeakPolarHBondContact O-CB 3.4Å; F37-K41 PolarHBondContact O-N 2.88Å |
| 38 | A | 80.7 | Confident | 74.4 | Confident | 42 Ų | 42 | 126.5 Ų | 126.5 | 35% | 0.347 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.4 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S34 P35 K41 K42 | S34-A38 PolarHBondContact O-N 2.98Å; P35-A38 PolarHBondContact O-N 2.83Å; A38-K41 PolarHBondContact O-N 2.99Å; A38-K42 WeakPolarHBondContact O-CB 3.3Å; A38-K42 PolarHBondContact O-N 2.89Å |
| 39 | A | 85.9 | Confident | 76.4 | Confident | 59 Ų | 59 | 125 Ų | 125 | 49% | 0.488 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.8 | -45.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P35 K41 K42 M43 | P35-A39 VanDerWaalsContact O-CB 3.3Å; P35-A39 WeakPolarHBondContact O-CB 3.36Å; P35-A39 PolarHBondContact O-N 3.44Å; A39-K41 PolarHBondContact O-N 3.41Å; A39-K42 PolarHBondContact O-N 3.21Å; A39-M43 WeakPolarHBondContact O-CB 3.36Å; A39-M43 PolarHBondContact O-N 3.07Å |
| 40 | R | 86 | Confident | 78.1 | Confident | 124 Ų | 124 | 124.6 Ų | 124.6 | 47% | 0.468 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.2 | -42.1 | 174.7 | -82 | -169.4 | -85.9 | -168.9 | -4.6 | 112.4 | Y36 F37 M43 R44 | Y36-R40 WeakPolarHBondContact O-CB 3.4Å; Y36-R40 WeakPolarHBondContact O-CG 3.4Å; Y36-R40 PolarHBondContact O-N 3.34Å; F37-R40 PolarHBondContact O-N 2.82Å; R40-M43 PolarHBondContact O-N 3.47Å; R40-R44 WeakPolarHBondContact O-CG 3.41Å; R40-R44 PolarHBondContact O-N 3.33Å |
| 41 | K | 86.8 | Confident | 79.7 | Confident | 121 Ų | 121 | 119.1 Ų | 119.1 | 53% | 0.526 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.9 | -46.1 | 175.6 | -174.8 | 175.6 | -179.5 | 176.4 | 0 | 110.9 | F37 A38 A39 M43 R44 M45 | F37-K41 WeakPolarHBondContact O-CB 3.4Å; F37-K41 PolarHBondContact O-N 2.88Å; A38-K41 PolarHBondContact O-N 2.99Å; A39-K41 PolarHBondContact O-N 3.41Å; K41-M43 PolarHBondContact O-N 3.09Å; K41-R44 PolarHBondContact O-N 3.07Å; K41-M45 WeakPolarHBondContact O-CG 3.32Å; K41-M45 PolarHBondContact O-N 3.38Å; K41-M45 VanDerWaalsContact O-N 3.07Å |
| 42 | K | 86.2 | Confident | 80.9 | Confident | 138 Ų | 138 | 122.5 Ų | 122.5 | 60% | 0.6 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.6 | -45.2 | 176.3 | -169.2 | 174.4 | -177.1 | 179.4 | 0 | 111.6 | A38 A39 R44 M45 F46 | A38-K42 WeakPolarHBondContact O-CB 3.3Å; A38-K42 PolarHBondContact O-N 2.89Å; A39-K42 PolarHBondContact O-N 3.21Å; K42-R44 VanDerWaalsContact C-N 3.31Å; K42-R44 PolarHBondContact O-N 3.1Å; K42-M45 WeakPolarHBondContact O-CB 3.42Å; K42-M45 PolarHBondContact O-N 3.5Å; K42-M45 VanDerWaalsContact O-N 3.09Å; K42-F46 HydrophobicContact CG-CD2 3.85Å; K42-F46 HydrophobicContact CG-CE2 3.89Å; K42-F46 WeakPolarHBondContact O-CD2 3.5Å; K42-F46 PolarHBondContact O-N 2.86Å; K42-F46 VanDerWaalsContact O-N 3.07Å |
| 43 | M | 87.2 | Confident | 82.3 | Confident | 134 Ų | 134 | 125.2 Ų | 125.2 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.6 | -38.1 | 175.9 | -172.7 | 175.3 | 76 | 0 | 0 | 112.4 | A39 R40 K41 M45 S47 | A39-M43 WeakPolarHBondContact O-CB 3.36Å; A39-M43 PolarHBondContact O-N 3.07Å; R40-M43 PolarHBondContact O-N 3.47Å; K41-M43 PolarHBondContact O-N 3.09Å; M43-M45 VanDerWaalsContact C-N 3.34Å; M43-S47 PolarHBondContact O-N 3.29Å; M43-S47 VanDerWaalsContact O-N 3.12Å |
| 44 | R | 86.1 | Confident | 83.6 | Confident | 170 Ų | 170 | 125.5 Ų | 125.5 | 64% | 0.642 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.8 | -28.6 | 174.7 | -71.3 | 173.4 | -177.1 | 177.2 | 0.3 | 113.3 | R40 K41 K42 S47 R50 | R40-R44 WeakPolarHBondContact O-CG 3.41Å; R40-R44 PolarHBondContact O-N 3.33Å; K41-R44 PolarHBondContact O-N 3.07Å; K42-R44 VanDerWaalsContact C-N 3.31Å; K42-R44 PolarHBondContact O-N 3.1Å; R44-S47 PolarHBondContact O-OG 3.01Å; R44-R50 VanDerWaalsContact O-CD 3.25Å; R44-R50 WeakPolarHBondContact O-CD 3.43Å; R44-R50 PolarHBondContact O-NE 3.13Å |
| 45 | M | 86.9 | Confident | 84.4 | Confident | 115 Ų | 115 | 130.1 Ų | 130.1 | 57% | 0.567 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75.6 | -42.5 | 177.4 | -70.2 | 177.4 | 70 | 0 | 0 | 112 | K41 K42 M43 S47 | K41-M45 WeakPolarHBondContact O-CG 3.32Å; K41-M45 PolarHBondContact O-N 3.38Å; K41-M45 VanDerWaalsContact O-N 3.07Å; K42-M45 WeakPolarHBondContact O-CB 3.42Å; K42-M45 PolarHBondContact O-N 3.5Å; K42-M45 VanDerWaalsContact O-N 3.09Å; M43-M45 VanDerWaalsContact C-N 3.34Å; M45-S47 VanDerWaalsContact C-N 3.33Å |
| 46 | F | 86.2 | Confident | 85.2 | Confident | 138 Ų | 138 | 134.2 Ų | 134.2 | 61% | 0.605 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -95.8 | 24.2 | 178.7 | -62.2 | -74 | 0 | 0 | 0 | 113 | K42 | K42-F46 HydrophobicContact CG-CD2 3.85Å; K42-F46 HydrophobicContact CG-CE2 3.89Å; K42-F46 WeakPolarHBondContact O-CD2 3.5Å; K42-F46 PolarHBondContact O-N 2.86Å; K42-F46 VanDerWaalsContact O-N 3.07Å |
| 47 | S | 87.6 | Confident | 86.1 | Confident | 21 Ų | 21 | 130.4 Ų | 130.4 | 15% | 0.147 | 61% | 0.606 | C | S | . | * | trans | -63.2 | 146.9 | 176.7 | 63.5 | 0 | 0 | 0 | 0 | 110 | M43 R44 M45 H49 R50 I51 | M43-S47 PolarHBondContact O-N 3.29Å; M43-S47 VanDerWaalsContact O-N 3.12Å; R44-S47 PolarHBondContact O-OG 3.01Å; M45-S47 VanDerWaalsContact C-N 3.33Å; S47-H49 WeakPolarHBondContact CB-NE2 3.38Å; S47-H49 PolarHBondContact O-N 2.74Å; S47-H49 PolarHBondContact OG-CD2 3.11Å; S47-H49 PolarHBondContact OG-CE1 3.13Å; S47-H49 PolarHBondContact OG-NE2 3.34Å; S47-R50 PolarHBondContact O-N 3.37Å; S47-R50 WeakPolarHBondContact OG-CG 3.25Å; S47-I51 PolarHBondContact O-N 3.12Å | ||
| 48 | Q | 85.3 | Confident | 86.8 | Confident | 186 Ų | 186 | 128.5 Ų | 128.5 | 87% | 0.869 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | -31.7 | -174.9 | -67.9 | 175.3 | -15.4 | 0 | 0 | 113.8 | ||
| 49 | H | 86.1 | Confident | 87.4 | Confident | 146 Ų | 146 | 129 Ų | 129 | 68% | 0.676 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -12.5 | 178.3 | 67.1 | 85.4 | 0 | 0 | 0 | 114.7 | S47 | S47-H49 WeakPolarHBondContact CB-NE2 3.38Å; S47-H49 PolarHBondContact O-N 2.74Å; S47-H49 PolarHBondContact OG-CD2 3.11Å; S47-H49 PolarHBondContact OG-CE1 3.13Å; S47-H49 PolarHBondContact OG-NE2 3.34Å |
| 50 | R | 84.1 | Confident | 87.9 | Confident | 161 Ų | 161 | 130 Ų | 130 | 61% | 0.608 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -9.9 | 176.6 | -64.9 | -173.5 | -158.3 | -122.6 | -2.4 | 113.7 | R44 S47 L52 | R44-R50 VanDerWaalsContact O-CD 3.25Å; R44-R50 WeakPolarHBondContact O-CD 3.43Å; R44-R50 PolarHBondContact O-NE 3.13Å; S47-R50 PolarHBondContact O-N 3.37Å; S47-R50 WeakPolarHBondContact OG-CG 3.25Å; R50-L52 PolarHBondContact O-N 3.43Å |
| 51 | I | 87.1 | Confident | 88.3 | Confident | 101 Ų | 101 | 124.6 Ų | 124.6 | 52% | 0.518 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -61.4 | 132.8 | 176.6 | -60.1 | 173.3 | 0 | 0 | 0 | 108.5 | S47 K53 | S47-I51 PolarHBondContact O-N 3.12Å; I51-K53 PolarHBondContact O-N 3.48Å; I51-K53 VanDerWaalsContact O-N 3.09Å |
| 52 | L | 83.8 | Confident | 88.6 | Confident | 167 Ų | 167 | 124.7 Ų | 124.7 | 87% | 0.874 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 117.4 | 174.5 | -66.9 | 172.9 | 0 | 0 | 0 | 109.1 | R50 K54 | R50-L52 PolarHBondContact O-N 3.43Å; L52-K54 PolarHBondContact O-N 3.17Å |
| 53 | K | 86.5 | Confident | 88.9 | Confident | 184 Ų | 184 | 126.6 Ų | 126.6 | 80% | 0.8 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 128.5 | 178.7 | -66.7 | -179.1 | -179.5 | 178.2 | 0 | 108.6 | I51 H55 | I51-K53 PolarHBondContact O-N 3.48Å; I51-K53 VanDerWaalsContact O-N 3.09Å; K53-H55 PolarHBondContact O-N 2.98Å; K53-H55 VanDerWaalsContact O-N 3.13Å |
| 54 | K | 86.6 | Confident | 89.3 | Confident | 192 Ų | 192 | 121.8 Ų | 121.8 | 84% | 0.835 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 116.2 | 172.5 | -176.4 | 175.3 | 179.9 | 176.8 | 0 | 109.1 | L52 K56 | L52-K54 PolarHBondContact O-N 3.17Å; K54-K56 PolarHBondContact O-N 2.81Å |
| 55 | H | 87.1 | Confident | 89.6 | Confident | 138 Ų | 138 | 116.1 Ų | 116.1 | 64% | 0.639 | 58% | 0.576 | S | S | * | * | trans | -71 | 115 | 171.2 | -69.5 | -80.2 | 0 | 0 | 0 | 109.1 | K53 N57 L58 | K53-H55 PolarHBondContact O-N 2.98Å; K53-H55 VanDerWaalsContact O-N 3.13Å; H55-N57 VanDerWaalsContact C-N 3.3Å; H55-L58 HydrophobicContact CB-CD1 3.83Å; H55-L58 HydrophobicContact CB-CG 3.88Å | ||
| 56 | K | 90.4 | Very high | 90 | Very high | 186 Ų | 186 | 113.1 Ų | 113.1 | 81% | 0.809 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -14.7 | 178.9 | -62.8 | -175.3 | -179 | -178.1 | 0 | 113.3 | K54 | K54-K56 PolarHBondContact O-N 2.81Š|
| 57 | N | 93.2 | Very high | 90.4 | Very high | 100 Ų | 100 | 112.1 Ų | 112.1 | 54% | 0.535 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.1 | 18.7 | -168.5 | -56.4 | -12.5 | 0 | 0 | 0 | 113.2 | H55 Q69 L70 | H55-N57 VanDerWaalsContact C-N 3.3Å; N57-Q69 CarbonylContact O-C 3.54Å; N57-Q69 VanDerWaalsContact O-CA 3.29Å; N57-Q69 WeakPolarHBondContact O-CA 3.33Å; N57-L70 HydrophobicContact CB-CD1 4.02Å; N57-L70 PolarHBondContact O-N 3.12Å |
| 58 | L | 93.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 112.8 Ų | 112.8 | 39% | 0.393 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.8 | 178.8 | -64.7 | 175.3 | 0 | 0 | 0 | 109.7 | H55 H68 | H55-L58 HydrophobicContact CB-CD1 3.83Å; H55-L58 HydrophobicContact CB-CG 3.88Å; L58-H68 WeakPolarHBondContact CA-O 3.39Å |
| 59 | V | 93.5 | Very high | 91.1 | Very high | 52 Ų | 52 | 109.4 Ų | 109.4 | 32% | 0.315 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140 | 176 | 165.4 | 0 | 0 | 0 | 0 | 110.3 | H68 L70 | V59-H68 PolarHBondContact N-O 3.13Å; V59-H68 PolarHBondContact O-CE1 3.09Å; V59-H68 VanDerWaalsContact O-CE1 3.28Å; V59-H68 PolarHBondContact O-N 3.25Å; V59-H68 VanDerWaalsContact O-N 3.08Å; V59-H68 PolarHBondContact O-ND1 3.24Å; V59-H68 VanDerWaalsContact O-ND1 3.09Å; V59-L70 HydrophobicContact CB-CD2 4.21Å; V59-L70 HydrophobicContact CG2-CD2 3.2Å; V59-L70 HydrophobicContact CG2-CG 3.76Å |
| 60 | P | 94.9 | Very high | 91.3 | Very high | 80 Ų | 80 | 106.8 Ų | 106.8 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 131.6 | 171.7 | 28.8 | -34.6 | 0 | 0 | 0 | 110.7 | L67 | P60-L67 HydrophobicContact CB-CD2 4.29Å |
| 61 | C | 95 | Very high | 91.6 | Very high | 12 Ų | 12 | 107.7 Ų | 107.7 | 8% | 0.081 | 55% | 0.551 | C | S | . | * | trans | -64.9 | 131.4 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | K63 C64 G65 T66 H68 C74 | C61-K63 PolarHBondContact O-N 2.66Å; C61-K63 VanDerWaalsContact O-N 3.12Å; C61-C64 WeakPolarHBondContact CB-SG 3.43Å; C61-G65 WeakPolarHBondContact O-CA 3.32Å; C61-G65 PolarHBondContact O-N 3.27Å; C61-T66 WeakPolarHBondContact CB-O 3.44Å; C61-T66 PolarHBondContact N-O 3.41Å; C61-H68 VanDerWaalsContact CA-CE1 3.41Å; C61-H68 WeakPolarHBondContact CA-CE1 3.44Å; C61-H68 PolarHBondContact N-CE1 3.24Å; C61-C74 HydrophobicContact CB-CB 4.06Å | ||
| 62 | P | 93 | Very high | 91.9 | Very high | 123 Ų | 123 | 105.7 Ų | 105.7 | 80% | 0.799 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.6 | -178.3 | 26.8 | -36 | 0 | 0 | 0 | 113.7 | ||
| 63 | K | 93.4 | Very high | 92.3 | Very high | 177 Ų | 177 | 104.4 Ų | 104.4 | 77% | 0.77 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -45.7 | -178.5 | -59.9 | -61 | -174.7 | -179.8 | 0 | 113.1 | C61 | C61-K63 PolarHBondContact O-N 2.66Å; C61-K63 VanDerWaalsContact O-N 3.12Å |
| 64 | C | 94.3 | Very high | 92.7 | Very high | 33 Ų | 33 | 95.9 Ų | 95.9 | 22% | 0.223 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -9.5 | -173.2 | 65.5 | 0 | 0 | 0 | 0 | 114.7 | C61 T66 C74 C77 | C61-C64 WeakPolarHBondContact CB-SG 3.43Å; C64-T66 HydrophobicContact CB-CG2 4.49Å; C64-T66 PolarHBondContact O-N 3.37Å; C64-T66 VanDerWaalsContact O-N 3.17Å; C64-T66 PolarHBondContact SG-OG1 2.99Å; C64-C74 PolarHBondContact SG-SG 2.89Å; C64-C77 PolarHBondContact SG-SG 3.25Å |
| 65 | G | 93.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 89.3 Ų | 89.3 | 53% | 0.526 | 49% | 0.486 | S | S | . | . | trans | 73.1 | -4.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C61 | C61-G65 WeakPolarHBondContact O-CA 3.32Å; C61-G65 PolarHBondContact O-N 3.27Å | ||
| 66 | T | 94.6 | Very high | 93.5 | Very high | 52 Ų | 52 | 85.9 Ų | 85.9 | 32% | 0.319 | 48% | 0.475 | S | S | . | . | trans | -70.4 | 143.3 | 177.7 | 65.7 | 0 | 0 | 0 | 0 | 111.6 | C61 C64 H68 C74 V76 | C61-T66 WeakPolarHBondContact CB-O 3.44Å; C61-T66 PolarHBondContact N-O 3.41Å; C64-T66 HydrophobicContact CB-CG2 4.49Å; C64-T66 PolarHBondContact O-N 3.37Å; C64-T66 VanDerWaalsContact O-N 3.17Å; C64-T66 PolarHBondContact SG-OG1 2.99Å; T66-H68 PolarHBondContact O-ND1 3.36Å; T66-C74 PolarHBondContact OG1-SG 3.29Å; T66-V76 HydrophobicContact CG2-CG2 4.2Å | ||
| 67 | L | 94.7 | Very high | 93.8 | Very high | 118 Ų | 118 | 78.2 Ų | 78.2 | 62% | 0.618 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 126.1 | 177.8 | -63.6 | 176.3 | 0 | 0 | 0 | 110 | P60 | P60-L67 HydrophobicContact CB-CD2 4.29Å |
| 68 | H | 93.5 | Very high | 94 | Very high | 34 Ų | 34 | 80 Ų | 80 | 16% | 0.157 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 168.7 | 174.6 | 60.9 | -69.4 | 0 | 0 | 0 | 109.1 | L58 V59 C61 T66 T72 C74 | L58-H68 WeakPolarHBondContact CA-O 3.39Å; V59-H68 PolarHBondContact N-O 3.13Å; V59-H68 PolarHBondContact O-CE1 3.09Å; V59-H68 VanDerWaalsContact O-CE1 3.28Å; V59-H68 PolarHBondContact O-N 3.25Å; V59-H68 VanDerWaalsContact O-N 3.08Å; V59-H68 PolarHBondContact O-ND1 3.24Å; V59-H68 VanDerWaalsContact O-ND1 3.09Å; C61-H68 VanDerWaalsContact CA-CE1 3.41Å; C61-H68 WeakPolarHBondContact CA-CE1 3.44Å; C61-H68 PolarHBondContact N-CE1 3.24Å; T66-H68 PolarHBondContact O-ND1 3.36Å; H68-T72 PolarHBondContact CD2-O 3.04Å; H68-C74 HydrophobicContact CB-CB 4.47Å |
| 69 | Q | 93.7 | Very high | 94.1 | Very high | 115 Ų | 115 | 78.4 Ų | 78.4 | 54% | 0.537 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 146.4 | 179.3 | -53.6 | 176.1 | -4.6 | 0 | 0 | 110.4 | N57 H71 T72 | N57-Q69 CarbonylContact O-C 3.54Å; N57-Q69 VanDerWaalsContact O-CA 3.29Å; N57-Q69 WeakPolarHBondContact O-CA 3.33Å; Q69-H71 VanDerWaalsContact C-N 3.25Å; Q69-H71 PolarHBondContact O-N 3.08Å; Q69-H71 VanDerWaalsContact O-N 3.09Å; Q69-T72 WeakPolarHBondContact CA-OG1 3.43Å; Q69-T72 HydrophobicContact CB-CG2 3.9Å; Q69-T72 WeakPolarHBondContact CB-OG1 3.46Å; Q69-T72 PolarHBondContact N-OG1 3.28Å; Q69-T72 VanDerWaalsContact N-OG1 3.09Å; Q69-T72 PolarHBondContact O-N 3.39Å; Q69-T72 PolarHBondContact O-OG1 3.35Å |
| 70 | L | 90.7 | Very high | 94.3 | Very high | 91 Ų | 91 | 81.6 Ų | 81.6 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.6 | -41.9 | -179 | -83.2 | 164.9 | 0 | 0 | 0 | 115.5 | N57 V59 | N57-L70 HydrophobicContact CB-CD1 4.02Å; N57-L70 PolarHBondContact O-N 3.12Å; V59-L70 HydrophobicContact CB-CD2 4.21Å; V59-L70 HydrophobicContact CG2-CD2 3.2Å; V59-L70 HydrophobicContact CG2-CG 3.76Å |
| 71 | H | 90.8 | Very high | 94.4 | Very high | 181 Ų | 181 | 81.4 Ų | 81.4 | 84% | 0.838 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 11.1 | -175.8 | -55.3 | -64.2 | 0 | 0 | 0 | 113.3 | Q69 | Q69-H71 VanDerWaalsContact C-N 3.25Å; Q69-H71 PolarHBondContact O-N 3.08Å; Q69-H71 VanDerWaalsContact O-N 3.09Å |
| 72 | T | 92.6 | Very high | 94.5 | Very high | 59 Ų | 59 | 87.6 Ų | 87.6 | 36% | 0.362 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -113.1 | 147.6 | -179 | 60.6 | 0 | 0 | 0 | 0 | 110 | H68 Q69 | H68-T72 PolarHBondContact CD2-O 3.04Å; Q69-T72 WeakPolarHBondContact CA-OG1 3.43Å; Q69-T72 HydrophobicContact CB-CG2 3.9Å; Q69-T72 WeakPolarHBondContact CB-OG1 3.46Å; Q69-T72 PolarHBondContact N-OG1 3.28Å; Q69-T72 VanDerWaalsContact N-OG1 3.09Å; Q69-T72 PolarHBondContact O-N 3.39Å; Q69-T72 PolarHBondContact O-OG1 3.35Å |
| 73 | I | 92.5 | Very high | 94.8 | Very high | 139 Ų | 139 | 87.3 Ų | 87.3 | 71% | 0.713 | 46% | 0.456 | S | S | * | . | trans | -73.7 | 142.7 | 170.8 | -60.8 | 168.1 | 0 | 0 | 0 | 108.3 | G75 | I73-G75 PolarHBondContact O-N 2.95Å; I73-G75 VanDerWaalsContact O-N 3.16Å | ||
| 74 | C | 95.4 | Very high | 95 | Very high | 6 Ų | 6 | 84.6 Ų | 84.6 | 4% | 0.041 | 45% | 0.446 | C | S | . | . | trans | -61.7 | 117.4 | 175 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | C61 C64 T66 H68 V76 C77 Y78 | C61-C74 HydrophobicContact CB-CB 4.06Å; C64-C74 PolarHBondContact SG-SG 2.89Å; T66-C74 PolarHBondContact OG1-SG 3.29Å; H68-C74 HydrophobicContact CB-CB 4.47Å; C74-V76 VanDerWaalsContact C-N 3.3Å; C74-V76 PolarHBondContact O-N 2.95Å; C74-C77 HydrophobicContact CB-CB 4.09Å; C74-C77 PolarHBondContact O-N 3.17Å; C74-Y78 WeakPolarHBondContact O-CB 3.49Å; C74-Y78 PolarHBondContact O-N 3.49Å | ||
| 75 | G | 94.5 | Very high | 95.2 | Very high | 53 Ų | 53 | 85.8 Ų | 85.8 | 55% | 0.546 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.9 | -35.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | I73 Y78 A79 | I73-G75 PolarHBondContact O-N 2.95Å; I73-G75 VanDerWaalsContact O-N 3.16Å; G75-Y78 PolarHBondContact O-N 3.49Å; G75-A79 WeakPolarHBondContact O-CB 3.49Å; G75-A79 PolarHBondContact O-N 3.16Å |
| 76 | V | 95.9 | Very high | 95.4 | Very high | 66 Ų | 66 | 87 Ų | 87 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.8 | -44 | 178.6 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | T66 C74 Y78 A79 R80 | T66-V76 HydrophobicContact CG2-CG2 4.2Å; C74-V76 VanDerWaalsContact C-N 3.3Å; C74-V76 PolarHBondContact O-N 2.95Å; V76-Y78 VanDerWaalsContact C-N 3.33Å; V76-A79 PolarHBondContact O-N 3.25Å; V76-R80 WeakPolarHBondContact O-CG 3.34Å; V76-R80 PolarHBondContact O-N 3.26Å |
| 77 | C | 96.4 | Very high | 95.6 | Very high | 26 Ų | 26 | 89.7 Ų | 89.7 | 18% | 0.176 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65 | -40.7 | 176.2 | -73.8 | 0 | 0 | 0 | 0 | 111.5 | C64 C74 R80 V81 | C64-C77 PolarHBondContact SG-SG 3.25Å; C74-C77 HydrophobicContact CB-CB 4.09Å; C74-C77 PolarHBondContact O-N 3.17Å; C77-R80 PolarHBondContact O-N 3.04Å; C77-V81 WeakPolarHBondContact O-CG2 3.44Å; C77-V81 PolarHBondContact O-N 3.29Å; C77-V81 VanDerWaalsContact O-N 3.15Å |
| 78 | Y | 97 | Very high | 95.7 | Very high | 138 Ų | 138 | 88.6 Ų | 88.6 | 54% | 0.541 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.5 | -178.5 | -102.4 | 0 | 0 | 0 | 112.1 | C74 G75 V76 R80 V81 R82 | C74-Y78 WeakPolarHBondContact O-CB 3.49Å; C74-Y78 PolarHBondContact O-N 3.49Å; G75-Y78 PolarHBondContact O-N 3.49Å; V76-Y78 VanDerWaalsContact C-N 3.33Å; Y78-R80 PolarHBondContact O-N 3.41Å; Y78-V81 PolarHBondContact O-N 3.05Å; Y78-R82 WeakPolarHBondContact O-CB 3.39Å; Y78-R82 PolarHBondContact O-N 3.39Å |
| 79 | A | 96.8 | Very high | 95.9 | Very high | 41 Ų | 41 | 93.3 Ų | 93.3 | 34% | 0.339 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G75 V76 V81 R82 E83 | G75-A79 WeakPolarHBondContact O-CB 3.49Å; G75-A79 PolarHBondContact O-N 3.16Å; V76-A79 PolarHBondContact O-N 3.25Å; A79-V81 PolarHBondContact O-N 2.88Å; A79-R82 WeakPolarHBondContact O-CB 3.43Å; A79-R82 PolarHBondContact O-N 2.91Å; A79-E83 WeakPolarHBondContact O-CG 3.3Å; A79-E83 PolarHBondContact O-N 3.35Å |
| 80 | R | 97.2 | Very high | 96 | Very high | 118 Ų | 118 | 94.4 Ų | 94.4 | 45% | 0.445 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.8 | -63.7 | 178.4 | -154.1 | 155.7 | -1.1 | 112.8 | V76 C77 Y78 R82 E83 Q84 | V76-R80 WeakPolarHBondContact O-CG 3.34Å; V76-R80 PolarHBondContact O-N 3.26Å; C77-R80 PolarHBondContact O-N 3.04Å; Y78-R80 PolarHBondContact O-N 3.41Å; R80-R82 VanDerWaalsContact C-N 3.27Å; R80-R82 PolarHBondContact O-N 3.49Å; R80-E83 PolarHBondContact O-N 3.24Å; R80-Q84 WeakPolarHBondContact O-CG 3.3Å; R80-Q84 PolarHBondContact O-N 3.46Å |
| 81 | V | 96.8 | Very high | 96.3 | Very high | 77 Ų | 77 | 96.9 Ų | 96.9 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 178.1 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | C77 Y78 A79 Q84 T85 | C77-V81 WeakPolarHBondContact O-CG2 3.44Å; C77-V81 PolarHBondContact O-N 3.29Å; C77-V81 VanDerWaalsContact O-N 3.15Å; Y78-V81 PolarHBondContact O-N 3.05Å; A79-V81 PolarHBondContact O-N 2.88Å; V81-Q84 PolarHBondContact O-N 3.35Å; V81-T85 WeakPolarHBondContact O-CB 3.44Å; V81-T85 PolarHBondContact O-N 3.29Å; V81-T85 PolarHBondContact O-OG1 3.43Å |
| 82 | R | 98 | Very high | 96.5 | Very high | 141 Ų | 141 | 92.8 Ų | 92.8 | 53% | 0.532 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 175.7 | 179.7 | 179.7 | 176.9 | 171.3 | 3 | 111.5 | Y78 A79 R80 Q84 T85 E86 | Y78-R82 WeakPolarHBondContact O-CB 3.39Å; Y78-R82 PolarHBondContact O-N 3.39Å; A79-R82 WeakPolarHBondContact O-CB 3.43Å; A79-R82 PolarHBondContact O-N 2.91Å; R80-R82 VanDerWaalsContact C-N 3.27Å; R80-R82 PolarHBondContact O-N 3.49Å; R82-Q84 PolarHBondContact O-N 3.2Å; R82-T85 PolarHBondContact O-N 3.15Å; R82-E86 HydrophobicContact CG-CG 4.42Å; R82-E86 VanDerWaalsContact CG-OE1 3.3Å; R82-E86 WeakPolarHBondContact CG-OE1 3.24Å; R82-E86 IonicContact CZ-OE1 3.66Å; R82-E86 IonicContact NE-OE1 2.82Å; R82-E86 PolarHBondContact NE-OE1 2.99Å; R82-E86 IonicContact NH2-OE1 3.61Å; R82-E86 WeakPolarHBondContact O-CB 3.34Å; R82-E86 VanDerWaalsContact O-CG 3.3Å; R82-E86 WeakPolarHBondContact O-CG 3.35Å; R82-E86 PolarHBondContact O-N 3.39Å |
| 83 | E | 98.2 | Very high | 96.6 | Very high | 118 Ų | 118 | 96.4 Ų | 96.4 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -57.3 | -49 | 176.1 | -71 | 167.1 | -175.8 | 0 | 0 | 111.4 | A79 R80 T85 E86 E87 | A79-E83 WeakPolarHBondContact O-CG 3.3Å; A79-E83 PolarHBondContact O-N 3.35Å; R80-E83 PolarHBondContact O-N 3.24Å; E83-T85 VanDerWaalsContact C-N 3.3Å; E83-T85 PolarHBondContact O-N 3.48Å; E83-E86 PolarHBondContact O-N 3.37Å; E83-E86 VanDerWaalsContact O-N 3.17Å; E83-E87 PolarHBondContact O-N 2.84Å |
| 84 | Q | 98.3 | Very high | 96.6 | Very high | 120 Ų | 120 | 92.4 Ų | 92.4 | 56% | 0.561 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.1 | -41.3 | 176.5 | -70.3 | 176.4 | -23.5 | 0 | 0 | 112.5 | R80 V81 R82 E87 I88 | R80-Q84 WeakPolarHBondContact O-CG 3.3Å; R80-Q84 PolarHBondContact O-N 3.46Å; V81-Q84 PolarHBondContact O-N 3.35Å; R82-Q84 PolarHBondContact O-N 3.2Å; Q84-E87 PolarHBondContact O-N 3.2Å; Q84-I88 WeakPolarHBondContact O-CD1 3.5Å; Q84-I88 VanDerWaalsContact O-CG1 3.29Å; Q84-I88 WeakPolarHBondContact O-CG1 3.43Å; Q84-I88 PolarHBondContact O-N 2.82Å; Q84-I88 VanDerWaalsContact O-N 3.11Å |
| 85 | T | 98.2 | Very high | 96.5 | Very high | 57 Ų | 57 | 97.9 Ų | 97.9 | 35% | 0.35 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 179.1 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | V81 R82 E83 I88 K89 | V81-T85 WeakPolarHBondContact O-CB 3.44Å; V81-T85 PolarHBondContact O-N 3.29Å; V81-T85 PolarHBondContact O-OG1 3.43Å; R82-T85 PolarHBondContact O-N 3.15Å; E83-T85 VanDerWaalsContact C-N 3.3Å; E83-T85 PolarHBondContact O-N 3.48Å; T85-I88 PolarHBondContact O-N 3.45Å; T85-K89 HydrophobicContact CG2-CD 4.37Å; T85-K89 WeakPolarHBondContact O-CB 3.29Å; T85-K89 VanDerWaalsContact O-CG 3.24Å; T85-K89 WeakPolarHBondContact O-CG 3.48Å; T85-K89 PolarHBondContact O-N 3.07Å |
| 86 | E | 98.1 | Very high | 96.3 | Very high | 77 Ų | 77 | 99.8 Ų | 99.8 | 36% | 0.36 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 175.4 | -75.5 | 172.4 | -174.9 | 0 | 0 | 111.2 | R82 E83 I88 K89 Q90 | R82-E86 HydrophobicContact CG-CG 4.42Å; R82-E86 VanDerWaalsContact CG-OE1 3.3Å; R82-E86 WeakPolarHBondContact CG-OE1 3.24Å; R82-E86 IonicContact CZ-OE1 3.66Å; R82-E86 IonicContact NE-OE1 2.82Å; R82-E86 PolarHBondContact NE-OE1 2.99Å; R82-E86 IonicContact NH2-OE1 3.61Å; R82-E86 WeakPolarHBondContact O-CB 3.34Å; R82-E86 VanDerWaalsContact O-CG 3.3Å; R82-E86 WeakPolarHBondContact O-CG 3.35Å; R82-E86 PolarHBondContact O-N 3.39Å; E83-E86 PolarHBondContact O-N 3.37Å; E83-E86 VanDerWaalsContact O-N 3.17Å; E86-I88 PolarHBondContact O-N 3.45Å; E86-K89 WeakPolarHBondContact O-CB 3.41Å; E86-K89 PolarHBondContact O-N 2.89Å; E86-Q90 VanDerWaalsContact O-CG 3.32Å; E86-Q90 WeakPolarHBondContact O-CG 3.49Å; E86-Q90 PolarHBondContact O-N 3.17Å |
| 87 | E | 98.2 | Very high | 95.7 | Very high | 108 Ų | 108 | 99.2 Ų | 99.2 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 172.6 | -69.2 | 178.4 | -171 | 0 | 0 | 112.7 | E83 Q84 Q90 K91 | E83-E87 PolarHBondContact O-N 2.84Å; Q84-E87 PolarHBondContact O-N 3.2Å; E87-Q90 PolarHBondContact O-N 2.87Å; E87-K91 WeakPolarHBondContact O-CG 3.38Å; E87-K91 PolarHBondContact O-N 3.33Å; E87-K91 VanDerWaalsContact O-N 3.1Å |
| 88 | I | 97.9 | Very high | 95.2 | Very high | 95 Ų | 95 | 102 Ų | 102 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 177 | -67.5 | 164.6 | 0 | 0 | 0 | 110.3 | Q84 T85 E86 Q90 K91 L92 | Q84-I88 WeakPolarHBondContact O-CD1 3.5Å; Q84-I88 VanDerWaalsContact O-CG1 3.29Å; Q84-I88 WeakPolarHBondContact O-CG1 3.43Å; Q84-I88 PolarHBondContact O-N 2.82Å; Q84-I88 VanDerWaalsContact O-N 3.11Å; T85-I88 PolarHBondContact O-N 3.45Å; E86-I88 PolarHBondContact O-N 3.45Å; I88-Q90 VanDerWaalsContact C-N 3.31Å; I88-Q90 PolarHBondContact O-N 3.34Å; I88-K91 PolarHBondContact O-N 3.11Å; I88-L92 HydrophobicContact CG2-CD1 3.95Å; I88-L92 HydrophobicContact CG2-CG 4.33Å; I88-L92 WeakPolarHBondContact O-CG 3.41Å; I88-L92 PolarHBondContact O-N 2.69Å |
| 89 | K | 97.3 | Very high | 94.6 | Very high | 134 Ų | 134 | 99.3 Ų | 99.3 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59 | -42.5 | 176.3 | -77 | 172.9 | 176.3 | -178 | 0 | 111.8 | T85 E86 L92 H93 | T85-K89 HydrophobicContact CG2-CD 4.37Å; T85-K89 WeakPolarHBondContact O-CB 3.29Å; T85-K89 VanDerWaalsContact O-CG 3.24Å; T85-K89 WeakPolarHBondContact O-CG 3.48Å; T85-K89 PolarHBondContact O-N 3.07Å; E86-K89 WeakPolarHBondContact O-CB 3.41Å; E86-K89 PolarHBondContact O-N 2.89Å; K89-L92 PolarHBondContact O-N 3.47Å; K89-H93 WeakPolarHBondContact O-CB 3.47Å; K89-H93 PolarHBondContact O-N 3Å |
| 90 | Q | 96.5 | Very high | 93.6 | Very high | 138 Ų | 138 | 100.2 Ų | 100.2 | 65% | 0.645 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 176.9 | -71.8 | 172 | 9.1 | 0 | 0 | 111.8 | E86 E87 I88 H93 A94 | E86-Q90 VanDerWaalsContact O-CG 3.32Å; E86-Q90 WeakPolarHBondContact O-CG 3.49Å; E86-Q90 PolarHBondContact O-N 3.17Å; E87-Q90 PolarHBondContact O-N 2.87Å; I88-Q90 VanDerWaalsContact C-N 3.31Å; I88-Q90 PolarHBondContact O-N 3.34Å; Q90-H93 PolarHBondContact O-N 2.96Å; Q90-A94 PolarHBondContact O-N 3.4Å |
| 91 | K | 96.4 | Very high | 92.3 | Very high | 142 Ų | 142 | 99.7 Ų | 99.7 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 176.8 | -70.5 | 169.4 | -176.9 | 167.5 | 0 | 112.2 | E87 I88 A94 F95 | E87-K91 WeakPolarHBondContact O-CG 3.38Å; E87-K91 PolarHBondContact O-N 3.33Å; E87-K91 VanDerWaalsContact O-N 3.1Å; I88-K91 PolarHBondContact O-N 3.11Å; K91-A94 PolarHBondContact O-N 3.29Å; K91-F95 WeakPolarHBondContact O-CB 3.39Å; K91-F95 PolarHBondContact O-N 3.1Å |
| 92 | L | 95.5 | Very high | 91 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 177.1 | -71.3 | 173.1 | 0 | 0 | 0 | 112 | I88 K89 F95 N96 | I88-L92 HydrophobicContact CG2-CD1 3.95Å; I88-L92 HydrophobicContact CG2-CG 4.33Å; I88-L92 WeakPolarHBondContact O-CG 3.41Å; I88-L92 PolarHBondContact O-N 2.69Å; K89-L92 PolarHBondContact O-N 3.47Å; L92-F95 PolarHBondContact O-N 3.23Å; L92-N96 WeakPolarHBondContact O-CB 3.33Å; L92-N96 VanDerWaalsContact O-CG 3.29Å; L92-N96 PolarHBondContact O-N 3.36Å |
| 93 | H | 94 | Very high | 89.4 | Confident | 134 Ų | 134 | 97 Ų | 97 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -47.8 | 176.4 | -177 | -85.2 | 0 | 0 | 0 | 111.2 | K89 Q90 F95 N96 S97 | K89-H93 WeakPolarHBondContact O-CB 3.47Å; K89-H93 PolarHBondContact O-N 3Å; Q90-H93 PolarHBondContact O-N 2.96Å; H93-F95 PolarHBondContact O-N 3.39Å; H93-N96 PolarHBondContact O-N 3.41Å; H93-S97 PolarHBondContact O-N 2.91Å; H93-S97 PolarHBondContact O-OG 3.14Å; H93-S97 VanDerWaalsContact O-OG 3.08Å |
| 94 | A | 93.4 | Very high | 87.4 | Confident | 56 Ų | 56 | 94.6 Ų | 94.6 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q90 K91 S97 T98 | Q90-A94 PolarHBondContact O-N 3.4Å; K91-A94 PolarHBondContact O-N 3.29Å; A94-S97 PolarHBondContact O-N 3.48Å; A94-T98 WeakPolarHBondContact O-CG2 3.29Å; A94-T98 PolarHBondContact O-N 3.43Å; A94-T98 VanDerWaalsContact O-N 3.08Å; A94-T98 PolarHBondContact O-OG1 3.02Å |
| 95 | F | 93 | Very high | 85.1 | Confident | 121 Ų | 121 | 94.8 Ų | 94.8 | 53% | 0.531 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 177 | -179.1 | -98.6 | 0 | 0 | 0 | 112.3 | K91 L92 H93 S97 T98 L99 | K91-F95 WeakPolarHBondContact O-CB 3.39Å; K91-F95 PolarHBondContact O-N 3.1Å; L92-F95 PolarHBondContact O-N 3.23Å; H93-F95 PolarHBondContact O-N 3.39Å; F95-S97 VanDerWaalsContact C-N 3.33Å; F95-S97 PolarHBondContact O-N 3.47Å; F95-T98 PolarHBondContact O-N 2.99Å; F95-T98 VanDerWaalsContact O-N 3.14Å; F95-T98 PolarHBondContact O-OG1 2.79Å; F95-L99 HydrophobicContact CE1-CD2 4.18Å; F95-L99 WeakPolarHBondContact O-CB 3.41Å; F95-L99 PolarHBondContact O-N 3.08Å |
| 96 | N | 89.3 | Confident | 82.7 | Confident | 92 Ų | 92 | 95.9 Ų | 95.9 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 178.7 | -73.4 | -14.5 | 0 | 0 | 0 | 112.1 | L92 H93 L99 S100 | L92-N96 WeakPolarHBondContact O-CB 3.33Å; L92-N96 VanDerWaalsContact O-CG 3.29Å; L92-N96 PolarHBondContact O-N 3.36Å; H93-N96 PolarHBondContact O-N 3.41Å; N96-L99 PolarHBondContact O-N 3.45Å; N96-S100 WeakPolarHBondContact O-CB 3.46Å; N96-S100 PolarHBondContact O-N 3.41Å; N96-S100 PolarHBondContact O-OG 3.08Å |
| 97 | S | 84.2 | Confident | 80.4 | Confident | 54 Ų | 54 | 95.9 Ų | 95.9 | 38% | 0.378 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.2 | -48.7 | 172.4 | -59.2 | 0 | 0 | 0 | 0 | 111 | H93 A94 F95 L99 S100 S101 | H93-S97 PolarHBondContact O-N 2.91Å; H93-S97 PolarHBondContact O-OG 3.14Å; H93-S97 VanDerWaalsContact O-OG 3.08Å; A94-S97 PolarHBondContact O-N 3.48Å; F95-S97 VanDerWaalsContact C-N 3.33Å; F95-S97 PolarHBondContact O-N 3.47Å; S97-L99 PolarHBondContact O-N 2.99Å; S97-S100 PolarHBondContact O-N 3.36Å; S97-S100 PolarHBondContact O-OG 2.69Å; S97-S101 PolarHBondContact O-N 3.15Å; S97-S101 VanDerWaalsContact O-N 3.14Å; S97-S101 PolarHBondContact O-OG 3.09Å |
| 98 | T | 85.1 | Confident | 78 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 53% | 0.528 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.9 | -42.5 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | A94 F95 S101 S102 | A94-T98 WeakPolarHBondContact O-CG2 3.29Å; A94-T98 PolarHBondContact O-N 3.43Å; A94-T98 VanDerWaalsContact O-N 3.08Å; A94-T98 PolarHBondContact O-OG1 3.02Å; F95-T98 PolarHBondContact O-N 2.99Å; F95-T98 VanDerWaalsContact O-N 3.14Å; F95-T98 PolarHBondContact O-OG1 2.79Å; T98-S101 PolarHBondContact O-N 2.9Å; T98-S102 PolarHBondContact O-N 3.45Å; T98-S102 PolarHBondContact O-OG 3.47Å |
| 99 | L | 84.8 | Confident | 75.8 | Confident | 80 Ų | 80 | 100.4 Ų | 100.4 | 42% | 0.419 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65 | -43.5 | -179.7 | -175.1 | 65.4 | 0 | 0 | 0 | 111.6 | F95 N96 S97 S101 S102 T103 | F95-L99 HydrophobicContact CE1-CD2 4.18Å; F95-L99 WeakPolarHBondContact O-CB 3.41Å; F95-L99 PolarHBondContact O-N 3.08Å; N96-L99 PolarHBondContact O-N 3.45Å; S97-L99 PolarHBondContact O-N 2.99Å; L99-S101 VanDerWaalsContact C-N 3.3Å; L99-S101 PolarHBondContact O-N 3.28Å; L99-S102 WeakPolarHBondContact CA-OG 3.37Å; L99-S102 PolarHBondContact O-N 2.9Å; L99-S102 PolarHBondContact O-OG 3.09Å; L99-T103 WeakPolarHBondContact O-CB 3.42Å; L99-T103 PolarHBondContact O-N 2.88Å; L99-T103 PolarHBondContact O-OG1 3.43Å |
| 100 | S | 75.8 | Confident | 73.2 | Confident | 61 Ų | 61 | 98 Ų | 98 | 43% | 0.427 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62 | -37 | 176.6 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | N96 S97 | N96-S100 WeakPolarHBondContact O-CB 3.46Å; N96-S100 PolarHBondContact O-N 3.41Å; N96-S100 PolarHBondContact O-OG 3.08Å; S97-S100 PolarHBondContact O-N 3.36Å; S97-S100 PolarHBondContact O-OG 2.69Å |
| 101 | S | 70.7 | Confident | 70.8 | Confident | 106 Ų | 106 | 95 Ų | 95 | 74% | 0.741 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71 | -39.6 | 174.7 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | S97 T98 L99 | S97-S101 PolarHBondContact O-N 3.15Å; S97-S101 VanDerWaalsContact O-N 3.14Å; S97-S101 PolarHBondContact O-OG 3.09Å; T98-S101 PolarHBondContact O-N 2.9Å; L99-S101 VanDerWaalsContact C-N 3.3Å; L99-S101 PolarHBondContact O-N 3.28Å |
| 102 | S | 68.4 | Low | 68.4 | Low | 89 Ų | 89 | 95.8 Ų | 95.8 | 62% | 0.622 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.4 | -35.3 | -176.5 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | T98 L99 | T98-S102 PolarHBondContact O-N 3.45Å; T98-S102 PolarHBondContact O-OG 3.47Å; L99-S102 WeakPolarHBondContact CA-OG 3.37Å; L99-S102 PolarHBondContact O-N 2.9Å; L99-S102 PolarHBondContact O-OG 3.09Å |
| 103 | T | 64.2 | Low | 66.1 | Low | 72 Ų | 72 | 99.5 Ų | 99.5 | 44% | 0.442 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -94.6 | -15.8 | -168.4 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | L99 L105 | L99-T103 WeakPolarHBondContact O-CB 3.42Å; L99-T103 PolarHBondContact O-N 2.88Å; L99-T103 PolarHBondContact O-OG1 3.43Å; T103-L105 HydrophobicContact CG2-CB 3.97Å; T103-L105 HydrophobicContact CG2-CD1 3.75Å; T103-L105 HydrophobicContact CG2-CG 3.87Å; T103-L105 PolarHBondContact O-N 2.78Å |
| 104 | G | 56 | Low | 64.1 | Low | 68 Ų | 68 | 100.6 Ų | 100.6 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | trans | 62.1 | -12.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A106 | G104-A106 PolarHBondContact O-N 2.95Š| ||
| 105 | L | 49.5 | Very low | 62.2 | Low | 125 Ų | 125 | 104.4 Ų | 104.4 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | trans | -76 | 98.2 | 164.1 | -60.2 | 177.5 | 0 | 0 | 0 | 106.1 | T103 A107 | T103-L105 HydrophobicContact CG2-CB 3.97Å; T103-L105 HydrophobicContact CG2-CD1 3.75Å; T103-L105 HydrophobicContact CG2-CG 3.87Å; T103-L105 PolarHBondContact O-N 2.78Å; L105-A107 VanDerWaalsContact C-N 3.29Å; L105-A107 PolarHBondContact O-N 3.09Å | ||
| 106 | A | 48.6 | Very low | 60.2 | Low | 79 Ų | 79 | 104.1 Ų | 104.1 | 65% | 0.653 | 64% | 0.641 | S | S | * | * | trans | -47.6 | 107.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | G104 T108 | G104-A106 PolarHBondContact O-N 2.95Å; A106-T108 PolarHBondContact O-N 3.16Å | ||
| 107 | A | 50 | Low | 59 | Low | 77 Ų | 77 | 109.3 Ų | 109.3 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | trans | -60.5 | 94.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | L105 Q109 | L105-A107 VanDerWaalsContact C-N 3.29Å; L105-A107 PolarHBondContact O-N 3.09Å; A107-Q109 PolarHBondContact O-N 3.12Å | ||
| 108 | T | 47.4 | Very low | 57.8 | Low | 127 Ų | 127 | 113.5 Ų | 113.5 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | trans | -66.1 | 72.9 | 159 | 48.8 | 0 | 0 | 0 | 0 | 106.4 | A106 A110 | A106-T108 PolarHBondContact O-N 3.16Å; T108-A110 WeakPolarHBondContact O-CB 3.37Å; T108-A110 PolarHBondContact O-N 3.05Å | ||
| 109 | Q | 51.8 | Low | 56.9 | Low | 172 Ų | 172 | 117.7 Ų | 117.7 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | trans | -83.1 | 81.2 | 147.5 | -65.2 | -178.4 | 5 | 0 | 0 | 103.1 | A107 | A107-Q109 PolarHBondContact O-N 3.12Š| ||
| 110 | A | 42.3 | Very low | 56 | Low | 83 Ų | 83 | 118.5 Ų | 118.5 | 69% | 0.686 | 70% | 0.698 | S | S | * | * | 45 | 104.4 | 75.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | T108 | T108-A110 WeakPolarHBondContact O-CB 3.37Å; T108-A110 PolarHBondContact O-N 3.05Å | |||
| 111 | G | 46.5 | Very low | 55.6 | Low | 74 Ų | 74 | 121.4 Ų | 121.4 | 76% | 0.763 | 71% | 0.713 | S | S | * | * | trans | -50.8 | 133.2 | -163.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 112 | N | 47.3 | Very low | 55.5 | Low | 160 Ų | 160 | 121.4 Ų | 121.4 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | -92.3 | 116 | 128 | -67.5 | -56.5 | 0 | 0 | 0 | 103.9 | Q114 | N112-Q114 PolarHBondContact O-N 3.26Š| |||
| 113 | E | 46 | Very low | 55.5 | Low | 173 Ų | 173 | 124.1 Ų | 124.1 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | trans | -34.6 | 108.4 | 173.8 | -86.5 | 152.1 | 133.2 | 0 | 0 | 109.3 | D115 | E113-D115 PolarHBondContact O-N 3.13Š| ||
| 114 | Q | 52.3 | Low | 55.4 | Low | 158 Ų | 158 | 126 Ų | 126 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | -68 | 96 | 151.8 | -157.7 | 147 | -42.7 | 0 | 0 | 102.3 | N112 D116 | N112-Q114 PolarHBondContact O-N 3.26Å; Q114-D116 WeakPolarHBondContact CG-OD1 3.5Å; Q114-D116 PolarHBondContact O-N 2.96Å | ||
| 115 | D | 52.8 | Low | 55.5 | Low | 136 Ų | 136 | 129.5 Ų | 129.5 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -55.8 | 80.2 | 152.7 | -77.4 | -34.5 | 0 | 0 | 0 | 104.3 | E113 F117 | E113-D115 PolarHBondContact O-N 3.13Å; D115-F117 PolarHBondContact O-N 2.94Å | ||
| 116 | D | 52.2 | Low | 56.3 | Low | 114 Ų | 114 | 131.1 Ų | 131.1 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | trans | -57.3 | 102.9 | 165.8 | -77.5 | -36.9 | 0 | 0 | 0 | 102 | Q114 I118 | Q114-D116 WeakPolarHBondContact CG-OD1 3.5Å; Q114-D116 PolarHBondContact O-N 2.96Å; D116-I118 PolarHBondContact O-N 2.91Å | ||
| 117 | F | 64.2 | Low | 57.2 | Low | 202 Ų | 202 | 135.9 Ų | 135.9 | 89% | 0.886 | 73% | 0.734 | S | S | * | * | trans | -46.7 | 91.4 | 158.7 | -102.3 | -97 | 0 | 0 | 0 | 105.2 | D115 K119 | D115-F117 PolarHBondContact O-N 2.94Å; F117-K119 PolarHBondContact O-N 3.36Å | ||
| 118 | I | 58.2 | Low | 58 | Low | 141 Ų | 141 | 137.5 Ų | 137.5 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | trans | -61.1 | 97.4 | 161.7 | -66.3 | 167.6 | 0 | 0 | 0 | 101.1 | D116 P120 | D116-I118 PolarHBondContact O-N 2.91Å; I118-P120 VanDerWaalsContact O-CD 3.26Å; I118-P120 WeakPolarHBondContact O-CD 3.42Å | ||
| 119 | K | 66.4 | Low | 58.7 | Low | 174 Ų | 174 | 135.3 Ų | 135.3 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | trans | -49.4 | 113.5 | 169.4 | -178.7 | 177.8 | -175.4 | -177.1 | 0 | 103.5 | F117 T121 | F117-K119 PolarHBondContact O-N 3.36Å; K119-T121 PolarHBondContact O-N 3.41Å | ||
| 120 | P | 64.9 | Low | 59.4 | Low | 98 Ų | 98 | 136.2 Ų | 136.2 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | -56.1 | 117.2 | -174.5 | 20.5 | -31.1 | 0 | 0 | 0 | 105.1 | I118 T122 | I118-P120 VanDerWaalsContact O-CD 3.26Å; I118-P120 WeakPolarHBondContact O-CD 3.42Å; P120-T122 PolarHBondContact O-N 2.95Å | ||
| 121 | T | 67.6 | Low | 60.7 | Low | 121 Ų | 121 | 135.1 Ų | 135.1 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | trans | -49.5 | 112.3 | 174.9 | -24.6 | 0 | 0 | 0 | 0 | 103.7 | K119 I123 | K119-T121 PolarHBondContact O-N 3.41Å; T121-I123 PolarHBondContact O-N 3.42Å | ||
| 122 | T | 69.8 | Low | 61.5 | Low | 106 Ų | 106 | 139.5 Ų | 139.5 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | -67.2 | 94.4 | 179.7 | -53.8 | 0 | 0 | 0 | 0 | 104.1 | P120 T124 | P120-T122 PolarHBondContact O-N 2.95Å; T122-T124 HydrophobicContact CG2-CG2 4.31Å; T122-T124 PolarHBondContact O-N 3.21Å; T122-T124 PolarHBondContact O-OG1 2.89Å | ||
| 123 | I | 67.2 | Low | 62.7 | Low | 146 Ų | 146 | 141.4 Ų | 141.4 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | trans | -61.8 | 90.7 | 164.8 | -61.8 | 168.7 | 0 | 0 | 0 | 102.6 | T121 E125 | T121-I123 PolarHBondContact O-N 3.42Å; I123-E125 HydrophobicContact CG2-CG 4.39Å; I123-E125 PolarHBondContact O-N 3.14Å | ||
| 124 | T | 62.4 | Low | 63.8 | Low | 111 Ų | 111 | 136.8 Ų | 136.8 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | trans | -69.4 | 91.1 | 167.8 | 12 | 0 | 0 | 0 | 0 | 102.9 | T122 N126 | T122-T124 HydrophobicContact CG2-CG2 4.31Å; T122-T124 PolarHBondContact O-N 3.21Å; T122-T124 PolarHBondContact O-OG1 2.89Å; T124-N126 PolarHBondContact O-N 3.41Å | ||
| 125 | E | 59.3 | Low | 64.7 | Low | 142 Ų | 142 | 131.9 Ų | 131.9 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | trans | -52.1 | 108.2 | 167.1 | -69.4 | 178.4 | 175 | 0 | 0 | 106 | I123 R127 | I123-E125 HydrophobicContact CG2-CG 4.39Å; I123-E125 PolarHBondContact O-N 3.14Å; E125-R127 PolarHBondContact O-N 3.3Å | ||
| 126 | N | 65.9 | Low | 65.6 | Low | 159 Ų | 159 | 133.3 Ų | 133.3 | 85% | 0.85 | 68% | 0.676 | S | S | * | * | trans | -65.2 | 81.9 | 169.5 | -83.5 | -27.7 | 0 | 0 | 0 | 106.8 | T124 P128 | T124-N126 PolarHBondContact O-N 3.41Å; N126-P128 VanDerWaalsContact O-CD 3.3Å; N126-P128 WeakPolarHBondContact O-CD 3.42Å; N126-P128 VanDerWaalsContact O-N 3.14Å | ||
| 127 | R | 67.8 | Low | 67 | Low | 179 Ų | 179 | 133.3 Ų | 133.3 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 119.4 | 170.8 | -71.3 | -174.9 | 177.5 | -175 | -2 | 106 | E125 C129 | E125-R127 PolarHBondContact O-N 3.3Å; R127-C129 PolarHBondContact O-N 3.18Å |
| 128 | P | 66 | Low | 67.6 | Low | 112 Ų | 112 | 126.7 Ų | 126.7 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 140.9 | 170.1 | 24.1 | -32.1 | 0 | 0 | 0 | 108.1 | N126 K130 | N126-P128 VanDerWaalsContact O-CD 3.3Å; N126-P128 WeakPolarHBondContact O-CD 3.42Å; N126-P128 VanDerWaalsContact O-N 3.14Å; P128-K130 PolarHBondContact O-N 2.95Å; P128-K130 VanDerWaalsContact O-N 3.07Å |
| 129 | C | 61.9 | Low | 68.2 | Low | 80 Ų | 80 | 124.4 Ų | 124.4 | 54% | 0.541 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -48.6 | 117.8 | -177.9 | -26.8 | 0 | 0 | 0 | 0 | 109 | R127 S131 K139 | R127-C129 PolarHBondContact O-N 3.18Å; C129-S131 PolarHBondContact O-N 3.25Å; C129-K139 PolarHBondContact SG-NZ 2.83Å |
| 130 | K | 67 | Low | 68.5 | Low | 192 Ų | 192 | 120.5 Ų | 120.5 | 84% | 0.835 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -64 | 3.7 | -172.5 | -85.3 | -171.2 | 172.5 | -167.8 | 0 | 115.7 | P128 | P128-K130 PolarHBondContact O-N 2.95Å; P128-K130 VanDerWaalsContact O-N 3.07Å |
| 131 | S | 68.5 | Low | 69.1 | Low | 60 Ų | 60 | 119 Ų | 119 | 42% | 0.42 | 60% | 0.604 | S | S | . | * | trans | -150.7 | 124.4 | -172.3 | 62.9 | 0 | 0 | 0 | 0 | 113 | C129 W133 | C129-S131 PolarHBondContact O-N 3.25Å; S131-W133 PolarHBondContact O-N 2.93Å | ||
| 132 | D | 64.7 | Low | 69 | Low | 165 Ų | 165 | 120 Ų | 120 | 88% | 0.882 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -4.5 | 178 | -70 | -36.5 | 0 | 0 | 0 | 114.6 | Y134 | D132-Y134 PolarHBondContact O-N 3.01Š|
| 133 | W | 71 | Confident | 68.8 | Low | 200 Ų | 200 | 121.3 Ų | 121.3 | 76% | 0.758 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -15.6 | -176.2 | 86.4 | -92.3 | 0 | 0 | 0 | 113.4 | S131 | S131-W133 PolarHBondContact O-N 2.93Š|
| 134 | Y | 68.7 | Low | 68.4 | Low | 77 Ų | 77 | 121.8 Ų | 121.8 | 30% | 0.302 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -112.1 | 109.9 | 172.4 | -123.7 | -106 | 0 | 0 | 0 | 110.4 | D132 L138 K139 W142 | D132-Y134 PolarHBondContact O-N 3.01Å; Y134-L138 HydrophobicContact CD1-CB 3.72Å; Y134-L138 HydrophobicContact CE1-CB 3.62Å; Y134-L138 HydrophobicContact CE1-CD2 4.23Å; Y134-L138 HydrophobicContact CE1-CG 4.4Å; Y134-K139 HydrophobicContact CD1-CG 4.17Å; Y134-W142 PolarHBondContact OH-NE1 3.24Å |
| 135 | S | 71.9 | Confident | 68.6 | Low | 54 Ų | 54 | 121 Ų | 121 | 38% | 0.378 | 58% | 0.579 | S | S | . | * | trans | -61.2 | 146.4 | 174.9 | 73 | 0 | 0 | 0 | 0 | 111.6 | H137 L138 | S135-H137 PolarHBondContact O-N 2.86Å; S135-H137 VanDerWaalsContact O-N 3.13Å; S135-H137 PolarHBondContact OG-ND1 3.37Å; S135-L138 PolarHBondContact O-N 2.71Å | ||
| 136 | K | 73.1 | Confident | 68.6 | Low | 167 Ų | 167 | 121.7 Ų | 121.7 | 73% | 0.726 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -51.6 | -38.8 | -178.3 | -169 | 179.9 | 177.2 | -176 | 0 | 112.9 | L138 K139 E140 | K136-L138 VanDerWaalsContact C-N 3.34Å; K136-L138 PolarHBondContact O-N 2.88Å; K136-K139 PolarHBondContact O-N 2.73Å; K136-E140 WeakPolarHBondContact CE-OE1 3.26Å; K136-E140 PolarHBondContact O-N 2.85Å |
| 137 | H | 80.7 | Confident | 68.5 | Low | 114 Ų | 114 | 120 Ų | 120 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65 | -34 | -178.7 | 107.7 | -78.4 | 0 | 0 | 0 | 113.2 | S135 E140 T141 | S135-H137 PolarHBondContact O-N 2.86Å; S135-H137 VanDerWaalsContact O-N 3.13Å; S135-H137 PolarHBondContact OG-ND1 3.37Å; H137-E140 PolarHBondContact O-N 3.07Å; H137-T141 WeakPolarHBondContact O-CB 3.36Å; H137-T141 PolarHBondContact O-N 2.86Å; H137-T141 PolarHBondContact O-OG1 2.74Å |
| 138 | L | 76.7 | Confident | 67.8 | Low | 62 Ų | 62 | 121.9 Ų | 121.9 | 33% | 0.325 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.6 | -40.3 | -179.2 | -98.8 | 147.4 | 0 | 0 | 0 | 110.2 | Y134 S135 K136 T141 W142 | Y134-L138 HydrophobicContact CD1-CB 3.72Å; Y134-L138 HydrophobicContact CE1-CB 3.62Å; Y134-L138 HydrophobicContact CE1-CD2 4.23Å; Y134-L138 HydrophobicContact CE1-CG 4.4Å; S135-L138 PolarHBondContact O-N 2.71Å; K136-L138 VanDerWaalsContact C-N 3.34Å; K136-L138 PolarHBondContact O-N 2.88Å; L138-T141 WeakPolarHBondContact O-CB 3.41Å; L138-T141 PolarHBondContact O-N 2.87Å; L138-W142 PolarHBondContact O-N 3.41Å |
| 139 | K | 70.1 | Confident | 67.4 | Low | 93 Ų | 93 | 129.3 Ų | 129.3 | 40% | 0.404 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.5 | -49.5 | 175.1 | -91 | -178 | 173.8 | -173.2 | 0 | 112.8 | C129 Y134 K136 T141 W142 H143 | C129-K139 PolarHBondContact SG-NZ 2.83Å; Y134-K139 HydrophobicContact CD1-CG 4.17Å; K136-K139 PolarHBondContact O-N 2.73Å; K139-T141 PolarHBondContact O-N 2.7Å; K139-W142 PolarHBondContact O-N 2.62Å; K139-H143 PolarHBondContact O-CD2 2.71Å; K139-H143 PolarHBondContact O-N 2.79Å |
| 140 | E | 73.5 | Confident | 67.6 | Low | 92 Ų | 92 | 131.8 Ų | 131.8 | 43% | 0.43 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60.8 | -37.6 | 177.8 | -67.7 | 171.6 | -169.1 | 0 | 0 | 111.3 | K136 H137 R144 | K136-E140 WeakPolarHBondContact CE-OE1 3.26Å; K136-E140 PolarHBondContact O-N 2.85Å; H137-E140 PolarHBondContact O-N 3.07Å; E140-R144 WeakPolarHBondContact O-CG 3.3Å; E140-R144 PolarHBondContact O-N 2.74Å |
| 141 | T | 76.3 | Confident | 67.7 | Low | 67 Ų | 67 | 128.6 Ų | 128.6 | 41% | 0.411 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.7 | -43.4 | 177.5 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | H137 L138 K139 R144 | H137-T141 WeakPolarHBondContact O-CB 3.36Å; H137-T141 PolarHBondContact O-N 2.86Å; H137-T141 PolarHBondContact O-OG1 2.74Å; L138-T141 WeakPolarHBondContact O-CB 3.41Å; L138-T141 PolarHBondContact O-N 2.87Å; K139-T141 PolarHBondContact O-N 2.7Å; T141-R144 PolarHBondContact O-N 3.19Å |
| 142 | W | 66.1 | Low | 67.6 | Low | 143 Ų | 143 | 132.4 Ų | 132.4 | 54% | 0.542 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67 | -36.4 | 179.4 | -84.3 | 101.6 | 0 | 0 | 0 | 113.4 | Y134 L138 K139 V145 | Y134-W142 PolarHBondContact OH-NE1 3.24Å; L138-W142 PolarHBondContact O-N 3.41Å; K139-W142 PolarHBondContact O-N 2.62Å; W142-V145 PolarHBondContact O-N 2.66Å |
| 143 | H | 65.2 | Low | 67.8 | Low | 133 Ų | 133 | 130.5 Ų | 130.5 | 62% | 0.616 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.5 | -39 | 175.3 | -75.2 | -70.3 | 0 | 0 | 0 | 112.1 | K139 V145 F146 | K139-H143 PolarHBondContact O-CD2 2.71Å; K139-H143 PolarHBondContact O-N 2.79Å; H143-V145 PolarHBondContact O-N 2.91Å; H143-V145 VanDerWaalsContact O-N 3.13Å; H143-F146 PolarHBondContact O-N 2.9Å; H143-F146 VanDerWaalsContact O-N 3.17Å |
| 144 | R | 59.9 | Low | 67.6 | Low | 156 Ų | 156 | 126.2 Ų | 126.2 | 59% | 0.589 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.6 | -17.7 | 178 | -74.3 | -178.3 | -169.5 | 167.8 | 5.9 | 115.2 | E140 T141 F146 | E140-R144 WeakPolarHBondContact O-CG 3.3Å; E140-R144 PolarHBondContact O-N 2.74Å; T141-R144 PolarHBondContact O-N 3.19Å; R144-F146 VanDerWaalsContact C-N 3.3Å |
| 145 | V | 66.9 | Low | 67.5 | Low | 93 Ų | 93 | 129.5 Ų | 129.5 | 56% | 0.564 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.2 | -32.2 | 177.2 | -178.5 | 0 | 0 | 0 | 0 | 111 | W142 H143 | W142-V145 PolarHBondContact O-N 2.66Å; H143-V145 PolarHBondContact O-N 2.91Å; H143-V145 VanDerWaalsContact O-N 3.13Å |
| 146 | F | 58.4 | Low | 67.2 | Low | 157 Ų | 157 | 134.9 Ų | 134.9 | 69% | 0.689 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -93.9 | -20.2 | -175.3 | -63.5 | -73.5 | 0 | 0 | 0 | 114 | H143 R144 R148 | H143-F146 PolarHBondContact O-N 2.9Å; H143-F146 VanDerWaalsContact O-N 3.17Å; R144-F146 VanDerWaalsContact C-N 3.3Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 3.47Å |
| 147 | D | 63.4 | Low | 66.8 | Low | 125 Ų | 125 | 132.4 Ų | 132.4 | 67% | 0.668 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -81.3 | -8 | -178.6 | -63.6 | -29 | 0 | 0 | 0 | 113.8 | K149 | D147-K149 VanDerWaalsContact C-N 3.31Å; D147-K149 PolarHBondContact O-N 2.81Å; D147-K149 VanDerWaalsContact O-N 3.1Å |
| 148 | R | 54.3 | Low | 65.6 | Low | 218 Ų | 218 | 133.9 Ų | 133.9 | 82% | 0.823 | 60% | 0.602 | S | S | * | * | trans | -84.2 | 76.2 | 171.6 | -76.6 | -167.6 | -99.5 | -154.2 | -2.4 | 110.5 | F146 | F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 3.47Å | ||
| 149 | K | 56.6 | Low | 64.6 | Low | 268 Ų | 268 | 140.5 Ų | 140.5 | 100% | 1.165 | 63% | 0.627 | S | S | * | * | trans | -126.5 | 0 | 157.5 | -103 | -173.9 | 177.6 | 179.1 | 0 | 108.4 | D147 | D147-K149 VanDerWaalsContact C-N 3.31Å; D147-K149 PolarHBondContact O-N 2.81Å; D147-K149 VanDerWaalsContact O-N 3.1Å |
Retrieved 149 of 149 residues in 24.4 ms
(Link to these results)