| 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 | 44.7 | Very low | 52.7 | Low | 253 Ų | 253 | 153.7 Ų | 153.7 | 100% | 1.246 | 82% | 0.821 | S | S | * | * | 0 | 133.7 | 0 | -152.8 | 164 | -169.3 | 0 | 0 | 107.6 | |||||
| 2 | K | 41.6 | Very low | 53.3 | Low | 195 Ų | 195 | 151.3 Ų | 151.3 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -69.8 | 138.7 | -163.9 | -91.6 | 174.1 | 170 | 172.2 | 0 | 114.4 | ||||
| 3 | T | 45.9 | Very low | 53.9 | Low | 128 Ų | 128 | 148.5 Ų | 148.5 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 54.1 | 125.1 | 136.6 | 63.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 4 | S | 52.1 | Low | 54.7 | Low | 124 Ų | 124 | 144.8 Ų | 144.8 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -137.9 | 121.1 | 134.8 | -166.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | R | 55.4 | Low | 55.9 | Low | 224 Ų | 224 | 143.3 Ų | 143.3 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -92.1 | 94.9 | -178.4 | -174.1 | -172.6 | -151.5 | 179.6 | 5.1 | 106.2 | T7 | R5-T7 PolarHBondContact O-N 3.2Š| ||
| 6 | S | 61.1 | Low | 57 | Low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -84.3 | 95.9 | 172.1 | -164.5 | 0 | 0 | 0 | 0 | 108.2 | T8 | S6-T8 PolarHBondContact O-N 3.34Š| ||
| 7 | T | 57.2 | Low | 57.8 | Low | 99 Ų | 99 | 147.1 Ų | 147.1 | 61% | 0.607 | 80% | 0.803 | S | S | * | * | trans | -54.9 | 120.1 | 171.6 | 44.5 | 0 | 0 | 0 | 0 | 110.1 | R5 T9 | R5-T7 PolarHBondContact O-N 3.2Å; T7-T9 PolarHBondContact O-N 2.95Å | ||
| 8 | T | 54.3 | Low | 58.8 | Low | 127 Ų | 127 | 145.9 Ų | 145.9 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -58.5 | 99.8 | 166.1 | -44.9 | 0 | 0 | 0 | 0 | 107.8 | S6 D10 | S6-T8 PolarHBondContact O-N 3.34Å; T8-D10 PolarHBondContact O-N 2.82Å; T8-D10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | T | 54.5 | Low | 59.6 | Low | 109 Ų | 109 | 144.4 Ų | 144.4 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -71.3 | 101.9 | 172.9 | -57.2 | 0 | 0 | 0 | 0 | 107.1 | T7 Q11 | T7-T9 PolarHBondContact O-N 2.95Å; T9-Q11 HydrophobicContact CG2-CG 4.41Å; T9-Q11 PolarHBondContact O-N 3.09Å | ||
| 10 | D | 55 | Low | 60.2 | Low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -58.4 | 91 | 165 | -75.3 | -44.4 | 0 | 0 | 0 | 108.2 | T8 V12 | T8-D10 PolarHBondContact O-N 2.82Å; T8-D10 VanDerWaalsContact O-N 3.09Å; D10-V12 PolarHBondContact O-N 2.86Å | ||
| 11 | Q | 58.5 | Low | 60.8 | Low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -69.4 | 90.2 | 169 | -76.6 | -170.8 | -22.8 | 0 | 0 | 107.4 | T9 C13 | T9-Q11 HydrophobicContact CG2-CG 4.41Å; T9-Q11 PolarHBondContact O-N 3.09Å; Q11-C13 PolarHBondContact O-N 2.9Å | ||
| 12 | V | 59.7 | Low | 62 | Low | 124 Ų | 124 | 139.2 Ų | 139.2 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -64.5 | 91.9 | 162.1 | -176.8 | 0 | 0 | 0 | 0 | 106.1 | D10 C14 | D10-V12 PolarHBondContact O-N 2.86Å; V12-C14 PolarHBondContact O-N 2.99Å | ||
| 13 | C | 60.4 | Low | 63.2 | Low | 115 Ų | 115 | 135 Ų | 135 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -68.9 | 99.2 | 177.2 | -156.2 | 0 | 0 | 0 | 0 | 107.3 | Q11 P15 | Q11-C13 PolarHBondContact O-N 2.9Å; C13-P15 WeakPolarHBondContact O-CD 3.4Å | ||
| 14 | C | 66 | Low | 64 | Low | 97 Ų | 97 | 134.7 Ų | 134.7 | 66% | 0.655 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60 | 122 | 173.5 | -62.6 | 0 | 0 | 0 | 0 | 108.7 | V12 W16 | V12-C14 PolarHBondContact O-N 2.99Å; C14-W16 PolarHBondContact O-N 3.27Å |
| 15 | P | 72 | Confident | 64.1 | Low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 124.6 | 174.2 | 25.3 | -30.7 | 0 | 0 | 0 | 108.9 | C13 | C13-P15 WeakPolarHBondContact O-CD 3.4Š|
| 16 | W | 73.1 | Confident | 64.3 | Low | 233 Ų | 233 | 129.5 Ų | 129.5 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 135.8 | 172.9 | -72 | 85.7 | 0 | 0 | 0 | 109.5 | C14 T18 | C14-W16 PolarHBondContact O-N 3.27Å; W16-T18 PolarHBondContact O-N 3.18Å |
| 17 | P | 71.4 | Confident | 63.8 | Low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 120.3 | 178.7 | 24.4 | -31.2 | 0 | 0 | 0 | 109.9 | ||
| 18 | T | 76.2 | Confident | 63.5 | Low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 127.6 | 173.7 | -35.3 | 0 | 0 | 0 | 0 | 109 | W16 V20 | W16-T18 PolarHBondContact O-N 3.18Å; T18-V20 PolarHBondContact O-N 2.96Å; T18-V20 VanDerWaalsContact O-N 3.07Å |
| 19 | P | 73 | Confident | 63.7 | Low | 117 Ų | 117 | 129.5 Ų | 129.5 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 116.4 | 176.5 | 23.4 | -30.7 | 0 | 0 | 0 | 109.1 | Q21 | P19-Q21 PolarHBondContact O-N 3.28Š|
| 20 | V | 71.7 | Confident | 63.8 | Low | 131 Ų | 131 | 128.1 Ų | 128.1 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 122.1 | 169.7 | 176.9 | 0 | 0 | 0 | 0 | 106.9 | T18 T22 | T18-V20 PolarHBondContact O-N 2.96Å; T18-V20 VanDerWaalsContact O-N 3.07Å; V20-T22 PolarHBondContact O-N 3.07Å |
| 21 | Q | 73.4 | Confident | 63.9 | Low | 185 Ų | 185 | 125.8 Ų | 125.8 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -61.3 | 106.1 | 170 | -78.8 | -175.2 | -36.6 | 0 | 0 | 108 | P19 P23 | P19-Q21 PolarHBondContact O-N 3.28Å; Q21-P23 VanDerWaalsContact O-CD 3.29Å; Q21-P23 WeakPolarHBondContact O-CD 3.29Å | ||
| 22 | T | 69.2 | Low | 64 | Low | 116 Ų | 116 | 122.5 Ų | 122.5 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | trans | -61.5 | 119.1 | 165.7 | -44.6 | 0 | 0 | 0 | 0 | 106.6 | V20 T24 | V20-T22 PolarHBondContact O-N 3.07Å; T22-T24 VanDerWaalsContact C-N 3.35Å; T22-T24 PolarHBondContact O-N 2.86Å | ||
| 23 | P | 67.2 | Low | 63.9 | Low | 107 Ų | 107 | 125.5 Ų | 125.5 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | trans | -64.1 | 104.6 | 171.1 | 25.3 | -30.2 | 0 | 0 | 0 | 106.7 | Q21 V25 | Q21-P23 VanDerWaalsContact O-CD 3.29Å; Q21-P23 WeakPolarHBondContact O-CD 3.29Å; P23-V25 PolarHBondContact O-N 3.31Å | ||
| 24 | T | 62.4 | Low | 63.7 | Low | 121 Ų | 121 | 126.8 Ų | 126.8 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | trans | -66.7 | 82.3 | 164.7 | -47.6 | 0 | 0 | 0 | 0 | 105.7 | T22 L26 | T22-T24 VanDerWaalsContact C-N 3.35Å; T22-T24 PolarHBondContact O-N 2.86Å; T24-L26 VanDerWaalsContact C-N 3.28Å; T24-L26 PolarHBondContact O-N 2.88Å | ||
| 25 | V | 55.4 | Low | 63.3 | Low | 99 Ų | 99 | 124.5 Ų | 124.5 | 60% | 0.6 | 71% | 0.714 | S | S | * | * | trans | -58.7 | 105.8 | 164 | 177.7 | 0 | 0 | 0 | 0 | 104 | P23 N27 | P23-V25 PolarHBondContact O-N 3.31Å; V25-N27 WeakPolarHBondContact CG1-OD1 3.15Å; V25-N27 PolarHBondContact O-N 3.15Å | ||
| 26 | L | 58.4 | Low | 62.7 | Low | 140 Ų | 140 | 124.9 Ų | 124.9 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | trans | -62.9 | 74.4 | 167.8 | -78.1 | 161.5 | 0 | 0 | 0 | 107.1 | T24 S28 | T24-L26 VanDerWaalsContact C-N 3.28Å; T24-L26 PolarHBondContact O-N 2.88Å; L26-S28 PolarHBondContact O-N 2.77Å | ||
| 27 | N | 50 | Low | 61.9 | Low | 146 Ų | 146 | 116.2 Ų | 116.2 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | trans | -74.9 | 51.8 | 159.1 | -84.9 | -12.5 | 0 | 0 | 0 | 108.2 | V25 S29 | V25-N27 WeakPolarHBondContact CG1-OD1 3.15Å; V25-N27 PolarHBondContact O-N 3.15Å; N27-S29 VanDerWaalsContact C-N 3.28Å | ||
| 28 | S | 52.6 | Low | 61.2 | Low | 88 Ų | 88 | 119.1 Ų | 119.1 | 62% | 0.615 | 68% | 0.684 | S | S | * | * | trans | -102.8 | 47.3 | 163.2 | -64.6 | 0 | 0 | 0 | 0 | 108.2 | L26 S30 | L26-S28 PolarHBondContact O-N 2.77Å; S28-S30 PolarHBondContact O-N 2.9Å | ||
| 29 | S | 57.4 | Low | 60.3 | Low | 108 Ų | 108 | 116.5 Ų | 116.5 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | trans | -71.9 | 65.7 | 144.3 | 175 | 0 | 0 | 0 | 0 | 106.5 | N27 P31 | N27-S29 VanDerWaalsContact C-N 3.28Å; S29-P31 VanDerWaalsContact O-CD 3.22Å; S29-P31 WeakPolarHBondContact O-CD 3.49Å | ||
| 30 | S | 57.6 | Low | 59.5 | Low | 80 Ų | 80 | 115.2 Ų | 115.2 | 56% | 0.559 | 66% | 0.658 | S | S | * | * | trans | -63.9 | 114.4 | 159.1 | -65 | 0 | 0 | 0 | 0 | 103.8 | S28 | S28-S30 PolarHBondContact O-N 2.9Š| ||
| 31 | P | 56.3 | Low | 58.9 | Low | 90 Ų | 90 | 112.6 Ų | 112.6 | 58% | 0.584 | 65% | 0.645 | S | S | * | * | trans | -52.5 | 136.1 | 173.5 | 22.2 | -30.9 | 0 | 0 | 0 | 106.1 | S29 F33 | S29-P31 VanDerWaalsContact O-CD 3.22Å; S29-P31 WeakPolarHBondContact O-CD 3.49Å; P31-F33 VanDerWaalsContact C-N 3.31Å; P31-F33 PolarHBondContact O-N 2.97Å | ||
| 32 | P | 60.9 | Low | 58.6 | Low | 108 Ų | 108 | 110 Ų | 110 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | trans | -52.7 | 108.4 | 176.8 | 22 | -31.3 | 0 | 0 | 0 | 104.9 | H34 | P32-H34 PolarHBondContact O-N 2.7Š| ||
| 33 | F | 57.4 | Low | 58.3 | Low | 188 Ų | 188 | 109.8 Ų | 109.8 | 83% | 0.825 | 63% | 0.628 | S | S | * | * | trans | -55.2 | 104.7 | -179.7 | -98.8 | -91.8 | 0 | 0 | 0 | 103.4 | P31 A35 | P31-F33 VanDerWaalsContact C-N 3.31Å; P31-F33 PolarHBondContact O-N 2.97Å; F33-A35 VanDerWaalsContact C-N 3.34Å; F33-A35 PolarHBondContact O-N 2.99Å | ||
| 34 | H | 56.4 | Low | 58.2 | Low | 142 Ų | 142 | 107.7 Ų | 107.7 | 66% | 0.657 | 62% | 0.616 | S | S | * | * | trans | -55.2 | 113.2 | -174.3 | -110.1 | -106.4 | 0 | 0 | 0 | 103.9 | P32 H36 G37 | P32-H34 PolarHBondContact O-N 2.7Å; H34-H36 AromaticContact ND1-CE1 3.72Å; H34-H36 AromaticContact ND1-ND1 3.61Å; H34-H36 PolarHBondContact O-N 3.43Å; H34-G37 PolarHBondContact O-N 3.49Å | ||
| 35 | A | 58.5 | Low | 58.4 | Low | 48 Ų | 48 | 107 Ų | 107 | 40% | 0.397 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.3 | 36.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | F33 W38 | F33-A35 VanDerWaalsContact C-N 3.34Å; F33-A35 PolarHBondContact O-N 2.99Å; A35-W38 VanDerWaalsContact CA-CD1 3.46Å; A35-W38 HydrophobicContact CB-CD2 4.36Å; A35-W38 HydrophobicContact CB-CH2 4.3Å; A35-W38 HydrophobicContact CB-CZ2 3.28Å; A35-W38 PolarHBondContact O-NE1 3.18Å |
| 36 | H | 58.8 | Low | 58.9 | Low | 132 Ų | 132 | 106.4 Ų | 106.4 | 61% | 0.611 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -26.2 | 178.2 | -68.9 | 46.9 | 0 | 0 | 0 | 109.5 | H34 T39 V40 | H34-H36 AromaticContact ND1-CE1 3.72Å; H34-H36 AromaticContact ND1-ND1 3.61Å; H34-H36 PolarHBondContact O-N 3.43Å; H36-T39 PolarHBondContact O-OG1 2.76Å; H36-V40 WeakPolarHBondContact O-CG2 3.34Å |
| 37 | G | 55 | Low | 59.4 | Low | 51 Ų | 51 | 106.9 Ų | 106.9 | 53% | 0.526 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -79.8 | -40.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | H34 T39 V40 S41 | H34-G37 PolarHBondContact O-N 3.49Å; G37-T39 PolarHBondContact O-N 3.09Å; G37-V40 PolarHBondContact O-N 3.13Å; G37-S41 PolarHBondContact O-N 3.23Å; G37-S41 VanDerWaalsContact O-N 3.14Å |
| 38 | W | 57.8 | Low | 60.3 | Low | 178 Ų | 178 | 105.5 Ų | 105.5 | 67% | 0.674 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.1 | -36.3 | -178.5 | 62.6 | -15.9 | 0 | 0 | 0 | 114.2 | A35 S41 M42 | A35-W38 VanDerWaalsContact CA-CD1 3.46Å; A35-W38 HydrophobicContact CB-CD2 4.36Å; A35-W38 HydrophobicContact CB-CH2 4.3Å; A35-W38 HydrophobicContact CB-CZ2 3.28Å; A35-W38 PolarHBondContact O-NE1 3.18Å; W38-S41 PolarHBondContact O-N 2.78Å; W38-M42 PolarHBondContact O-N 3.47Å; W38-M42 VanDerWaalsContact O-N 3.1Å |
| 39 | T | 56.2 | Low | 61.1 | Low | 72 Ų | 72 | 106.6 Ų | 106.6 | 44% | 0.442 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.3 | -37.7 | 177.7 | 24.8 | 0 | 0 | 0 | 0 | 111.4 | H36 G37 S41 M42 L43 | H36-T39 PolarHBondContact O-OG1 2.76Å; G37-T39 PolarHBondContact O-N 3.09Å; T39-S41 VanDerWaalsContact C-N 3.31Å; T39-S41 PolarHBondContact O-N 3.4Å; T39-M42 PolarHBondContact O-N 3.01Å; T39-L43 WeakPolarHBondContact O-CB 3.43Å; T39-L43 WeakPolarHBondContact O-CG 3.45Å; T39-L43 PolarHBondContact O-N 2.98Å |
| 40 | V | 57.9 | Low | 61.4 | Low | 89 Ų | 89 | 105 Ų | 105 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64 | -39.9 | 173.7 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | H36 G37 S44 | H36-V40 WeakPolarHBondContact O-CG2 3.34Å; G37-V40 PolarHBondContact O-N 3.13Å; V40-S44 VanDerWaalsContact O-CB 3.27Å; V40-S44 WeakPolarHBondContact O-CB 3.22Å; V40-S44 PolarHBondContact O-N 3.05Å; V40-S44 PolarHBondContact O-OG 3.19Å |
| 41 | S | 59.1 | Low | 61.6 | Low | 77 Ų | 77 | 105.6 Ų | 105.6 | 54% | 0.538 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63 | -47.2 | 177.7 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | G37 W38 T39 S44 L45 | G37-S41 PolarHBondContact O-N 3.23Å; G37-S41 VanDerWaalsContact O-N 3.14Å; W38-S41 PolarHBondContact O-N 2.78Å; T39-S41 VanDerWaalsContact C-N 3.31Å; T39-S41 PolarHBondContact O-N 3.4Å; S41-S44 PolarHBondContact O-N 2.72Å; S41-L45 WeakPolarHBondContact O-CB 3.43Å; S41-L45 PolarHBondContact O-N 2.69Å |
| 42 | M | 66.7 | Low | 61.8 | Low | 130 Ų | 130 | 104.3 Ų | 104.3 | 64% | 0.64 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66 | -42.5 | 178.1 | -71.5 | -63.7 | -170.6 | 0 | 0 | 112.8 | W38 T39 S44 L45 V46 | W38-M42 PolarHBondContact O-N 3.47Å; W38-M42 VanDerWaalsContact O-N 3.1Å; T39-M42 PolarHBondContact O-N 3.01Å; M42-S44 VanDerWaalsContact C-N 3.31Å; M42-S44 PolarHBondContact O-N 3.25Å; M42-L45 WeakPolarHBondContact O-CB 3.44Å; M42-L45 PolarHBondContact O-N 3.43Å; M42-V46 WeakPolarHBondContact O-CG2 3.36Å; M42-V46 PolarHBondContact O-N 3.38Å |
| 43 | L | 62.9 | Low | 61.7 | Low | 111 Ų | 111 | 102.3 Ų | 102.3 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.7 | -39.3 | 175.8 | -81.4 | 162.8 | 0 | 0 | 0 | 111.9 | T39 K47 | T39-L43 WeakPolarHBondContact O-CB 3.43Å; T39-L43 WeakPolarHBondContact O-CG 3.45Å; T39-L43 PolarHBondContact O-N 2.98Å; L43-K47 WeakPolarHBondContact O-CB 3.41Å; L43-K47 WeakPolarHBondContact O-CG 3.49Å; L43-K47 PolarHBondContact O-N 3.4Å |
| 44 | S | 63.8 | Low | 61.7 | Low | 63 Ų | 63 | 96 Ų | 96 | 44% | 0.441 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | V40 S41 M42 K47 L48 | V40-S44 VanDerWaalsContact O-CB 3.27Å; V40-S44 WeakPolarHBondContact O-CB 3.22Å; V40-S44 PolarHBondContact O-N 3.05Å; V40-S44 PolarHBondContact O-OG 3.19Å; S41-S44 PolarHBondContact O-N 2.72Å; M42-S44 VanDerWaalsContact C-N 3.31Å; M42-S44 PolarHBondContact O-N 3.25Å; S44-K47 PolarHBondContact O-N 3.48Å; S44-L48 WeakPolarHBondContact O-CB 3.39Å; S44-L48 PolarHBondContact O-N 2.95Å |
| 45 | L | 66.9 | Low | 61.7 | Low | 107 Ų | 107 | 95.3 Ų | 95.3 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.7 | -47.7 | 174.5 | -166.7 | 102.4 | 0 | 0 | 0 | 111.5 | S41 M42 L48 L49 | S41-L45 WeakPolarHBondContact O-CB 3.43Å; S41-L45 PolarHBondContact O-N 2.69Å; M42-L45 WeakPolarHBondContact O-CB 3.44Å; M42-L45 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 3.38Å; L45-L49 WeakPolarHBondContact O-CB 3.41Å; L45-L49 PolarHBondContact O-N 3.46Å |
| 46 | V | 66.8 | Low | 61.7 | Low | 87 Ų | 87 | 103.4 Ų | 103.4 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.3 | -45 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | M42 L48 L49 T50 | M42-V46 WeakPolarHBondContact O-CG2 3.36Å; M42-V46 PolarHBondContact O-N 3.38Å; V46-L48 PolarHBondContact O-N 3.4Å; V46-L49 PolarHBondContact O-N 2.67Å; V46-T50 PolarHBondContact O-N 3.25Å; V46-T50 PolarHBondContact O-OG1 2.98Å |
| 47 | K | 68.7 | Low | 61.6 | Low | 149 Ų | 149 | 107.6 Ų | 107.6 | 65% | 0.648 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.3 | -45.5 | 176.1 | -77.1 | 178.5 | 179.9 | 178.4 | 0 | 111.8 | L43 S44 T50 V51 | L43-K47 WeakPolarHBondContact O-CB 3.41Å; L43-K47 WeakPolarHBondContact O-CG 3.49Å; L43-K47 PolarHBondContact O-N 3.4Å; S44-K47 PolarHBondContact O-N 3.48Å; K47-T50 PolarHBondContact O-N 3.49Å; K47-V51 VanDerWaalsContact O-CG2 3.27Å; K47-V51 WeakPolarHBondContact O-CG2 3.27Å; K47-V51 PolarHBondContact O-N 3.45Å |
| 48 | L | 68.6 | Low | 61.4 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 61% | 0.613 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.5 | -40.6 | 179.1 | -172.2 | 66.9 | 0 | 0 | 0 | 111.7 | S44 L45 V46 V51 T52 | S44-L48 WeakPolarHBondContact O-CB 3.39Å; S44-L48 PolarHBondContact O-N 2.95Å; L45-L48 PolarHBondContact O-N 3.38Å; V46-L48 PolarHBondContact O-N 3.4Å; L48-V51 PolarHBondContact O-N 2.64Å; L48-T52 WeakPolarHBondContact O-CB 3.46Å; L48-T52 VanDerWaalsContact O-CG2 3.31Å; L48-T52 WeakPolarHBondContact O-CG2 3.39Å; L48-T52 PolarHBondContact O-N 3.44Å; L48-T52 PolarHBondContact O-OG1 2.9Å |
| 49 | L | 68.9 | Low | 60.7 | Low | 112 Ų | 112 | 106.6 Ų | 106.6 | 59% | 0.586 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.6 | -41.2 | 175.6 | -170.1 | 68 | 0 | 0 | 0 | 111.7 | L45 V46 T52 T53 | L45-L49 WeakPolarHBondContact O-CB 3.41Å; L45-L49 PolarHBondContact O-N 3.46Å; V46-L49 PolarHBondContact O-N 2.67Å; L49-T52 WeakPolarHBondContact CA-OG1 3.39Å; L49-T52 PolarHBondContact O-OG1 3.37Å; L49-T53 WeakPolarHBondContact O-CB 3.43Å; L49-T53 VanDerWaalsContact O-CG2 3.28Å; L49-T53 WeakPolarHBondContact O-CG2 3.39Å; L49-T53 PolarHBondContact O-N 3Å; L49-T53 PolarHBondContact O-OG1 3.46Å |
| 50 | T | 64 | Low | 60.2 | Low | 73 Ų | 73 | 107 Ų | 107 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.8 | -40.3 | 176.3 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | V46 K47 T53 S54 | V46-T50 PolarHBondContact O-N 3.25Å; V46-T50 PolarHBondContact O-OG1 2.98Å; K47-T50 PolarHBondContact O-N 3.49Å; T50-T53 WeakPolarHBondContact CA-OG1 3.5Å; T50-T53 PolarHBondContact O-N 3.28Å; T50-T53 PolarHBondContact O-OG1 3.26Å; T50-S54 VanDerWaalsContact O-CB 3.25Å; T50-S54 WeakPolarHBondContact O-CB 3.43Å; T50-S54 PolarHBondContact O-N 3.44Å; T50-S54 PolarHBondContact O-OG 3.45Å; T50-S54 VanDerWaalsContact O-OG 3.12Å |
| 51 | V | 61.3 | Low | 59.8 | Low | 94 Ų | 94 | 112.4 Ų | 112.4 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.1 | -43.5 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | K47 L48 S54 L55 | K47-V51 VanDerWaalsContact O-CG2 3.27Å; K47-V51 WeakPolarHBondContact O-CG2 3.27Å; K47-V51 PolarHBondContact O-N 3.45Å; L48-V51 PolarHBondContact O-N 2.64Å; V51-S54 PolarHBondContact O-N 2.95Å; V51-L55 VanDerWaalsContact O-CB 3.25Å; V51-L55 WeakPolarHBondContact O-CB 3.36Å; V51-L55 PolarHBondContact O-N 3.31Å |
| 52 | T | 61.6 | Low | 59.1 | Low | 63 Ų | 63 | 114 Ų | 114 | 39% | 0.387 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.8 | -37.2 | 178.9 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | L48 L49 R56 | L48-T52 WeakPolarHBondContact O-CB 3.46Å; L48-T52 VanDerWaalsContact O-CG2 3.31Å; L48-T52 WeakPolarHBondContact O-CG2 3.39Å; L48-T52 PolarHBondContact O-N 3.44Å; L48-T52 PolarHBondContact O-OG1 2.9Å; L49-T52 WeakPolarHBondContact CA-OG1 3.39Å; L49-T52 PolarHBondContact O-OG1 3.37Å; T52-R56 WeakPolarHBondContact O-CG 3.25Å; T52-R56 PolarHBondContact O-N 3.29Å; T52-R56 VanDerWaalsContact O-N 3.11Å |
| 53 | T | 59 | Low | 58.1 | Low | 65 Ų | 65 | 113.8 Ų | 113.8 | 40% | 0.399 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.7 | -40.9 | 175 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | L49 T50 R56 R57 | L49-T53 WeakPolarHBondContact O-CB 3.43Å; L49-T53 VanDerWaalsContact O-CG2 3.28Å; L49-T53 WeakPolarHBondContact O-CG2 3.39Å; L49-T53 PolarHBondContact O-N 3Å; L49-T53 PolarHBondContact O-OG1 3.46Å; T50-T53 WeakPolarHBondContact CA-OG1 3.5Å; T50-T53 PolarHBondContact O-N 3.28Å; T50-T53 PolarHBondContact O-OG1 3.26Å; T53-R56 PolarHBondContact O-N 2.95Å; T53-R57 PolarHBondContact O-N 2.96Å; T53-R57 VanDerWaalsContact O-N 3.09Å |
| 54 | S | 57 | Low | 57.2 | Low | 55 Ų | 55 | 114.9 Ų | 114.9 | 39% | 0.385 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.2 | -40.4 | 173.3 | -72.4 | 0 | 0 | 0 | 0 | 112 | T50 V51 R56 R57 L58 | T50-S54 VanDerWaalsContact O-CB 3.25Å; T50-S54 WeakPolarHBondContact O-CB 3.43Å; T50-S54 PolarHBondContact O-N 3.44Å; T50-S54 PolarHBondContact O-OG 3.45Å; T50-S54 VanDerWaalsContact O-OG 3.12Å; V51-S54 PolarHBondContact O-N 2.95Å; S54-R56 VanDerWaalsContact C-N 3.32Å; S54-R56 PolarHBondContact O-N 2.89Å; S54-R57 CarbonylContact O-C 3.52Å; S54-R57 PolarHBondContact O-N 3.33Å; S54-R57 VanDerWaalsContact O-N 3.09Å; S54-L58 VanDerWaalsContact O-CB 3.28Å; S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 WeakPolarHBondContact O-CG 3.28Å; S54-L58 PolarHBondContact O-N 2.92Å |
| 55 | L | 56.3 | Low | 56.2 | Low | 128 Ų | 128 | 117.7 Ų | 117.7 | 67% | 0.67 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.3 | -39.2 | 175.9 | -171 | 69.4 | 0 | 0 | 0 | 111.6 | V51 R57 L58 | V51-L55 VanDerWaalsContact O-CB 3.25Å; V51-L55 WeakPolarHBondContact O-CB 3.36Å; V51-L55 PolarHBondContact O-N 3.31Å; L55-R57 VanDerWaalsContact C-N 3.28Å; L55-R57 PolarHBondContact O-N 2.72Å; L55-L58 PolarHBondContact O-N 3.1Å |
| 56 | R | 58 | Low | 55 | Low | 219 Ų | 219 | 118.4 Ų | 118.4 | 83% | 0.826 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.3 | -33.7 | 172.9 | -76.9 | -174.4 | -172.7 | -168.5 | 3.8 | 112.6 | T52 T53 S54 | T52-R56 WeakPolarHBondContact O-CG 3.25Å; T52-R56 PolarHBondContact O-N 3.29Å; T52-R56 VanDerWaalsContact O-N 3.11Å; T53-R56 PolarHBondContact O-N 2.95Å; S54-R56 VanDerWaalsContact C-N 3.32Å; S54-R56 PolarHBondContact O-N 2.89Å |
| 57 | R | 57.4 | Low | 53.9 | Low | 219 Ų | 219 | 119.4 Ų | 119.4 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.4 | -27 | 176.9 | -69.2 | -175.5 | -179.3 | -166.2 | 1.2 | 113.2 | T53 S54 L55 S59 | T53-R57 PolarHBondContact O-N 2.96Å; T53-R57 VanDerWaalsContact O-N 3.09Å; S54-R57 CarbonylContact O-C 3.52Å; S54-R57 PolarHBondContact O-N 3.33Å; S54-R57 VanDerWaalsContact O-N 3.09Å; L55-R57 VanDerWaalsContact C-N 3.28Å; L55-R57 PolarHBondContact O-N 2.72Å; R57-S59 PolarHBondContact O-N 3.49Å; R57-S59 VanDerWaalsContact O-N 3.14Å |
| 58 | L | 50.3 | Low | 52.7 | Low | 128 Ų | 128 | 117.9 Ų | 117.9 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | trans | -81.2 | 25.8 | 176.8 | -80.1 | 161.7 | 0 | 0 | 0 | 113.2 | S54 L55 P60 | S54-L58 VanDerWaalsContact O-CB 3.28Å; S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 WeakPolarHBondContact O-CG 3.28Å; S54-L58 PolarHBondContact O-N 2.92Å; L55-L58 PolarHBondContact O-N 3.1Å; L58-P60 VanDerWaalsContact CA-CD 3.41Å; L58-P60 WeakPolarHBondContact O-CD 3.43Å | ||
| 59 | S | 43.6 | Very low | 51.4 | Low | 80 Ų | 80 | 123.4 Ų | 123.4 | 56% | 0.559 | 64% | 0.644 | S | S | * | * | trans | -97.5 | 53.2 | 154.6 | -164.5 | 0 | 0 | 0 | 0 | 111.9 | R57 W61 | R57-S59 PolarHBondContact O-N 3.49Å; R57-S59 VanDerWaalsContact O-N 3.14Å; S59-W61 VanDerWaalsContact C-N 3.34Å; S59-W61 PolarHBondContact O-N 3.34Å | ||
| 60 | P | 45.7 | Very low | 50 | Low | 80 Ų | 80 | 125.4 Ų | 125.4 | 52% | 0.519 | 65% | 0.654 | S | S | . | * | trans | -70.3 | 111.6 | 146 | 27.2 | -18 | 0 | 0 | 0 | 103.9 | L58 V62 | L58-P60 VanDerWaalsContact CA-CD 3.41Å; L58-P60 WeakPolarHBondContact O-CD 3.43Å; P60-V62 HydrophobicContact CB-CG2 4.24Å; P60-V62 HydrophobicContact CG-CG2 4.26Å; P60-V62 PolarHBondContact O-N 3.29Å | ||
| 61 | W | 49.4 | Very low | 49.1 | Very low | 204 Ų | 204 | 131.4 Ų | 131.4 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | trans | -44.5 | 77.3 | 146.6 | -75.6 | 59.8 | 0 | 0 | 0 | 108.7 | S59 L63 | S59-W61 VanDerWaalsContact C-N 3.34Å; S59-W61 PolarHBondContact O-N 3.34Å; W61-L63 HydrophobicContact CB-CD1 4.47Å; W61-L63 HydrophobicContact CB-CG 4.32Å; W61-L63 HydrophobicContact CE3-CD1 3.66Å; W61-L63 HydrophobicContact CE3-CD2 3.97Å; W61-L63 HydrophobicContact CE3-CG 3.74Å; W61-L63 HydrophobicContact CZ3-CD1 4.31Å; W61-L63 HydrophobicContact CZ3-CD2 4.29Å; W61-L63 HydrophobicContact CZ3-CG 4.49Å; W61-L63 PolarHBondContact O-N 3.14Å | ||
| 62 | V | 43.7 | Very low | 48.3 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | trans | -71.1 | 67.6 | 155.3 | -175.3 | 0 | 0 | 0 | 0 | 103.9 | P60 L64 | P60-V62 HydrophobicContact CB-CG2 4.24Å; P60-V62 HydrophobicContact CG-CG2 4.26Å; P60-V62 PolarHBondContact O-N 3.29Å; V62-L64 PolarHBondContact O-N 3.28Å | ||
| 63 | L | 47.3 | Very low | 47.4 | Very low | 124 Ų | 124 | 139 Ų | 139 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | trans | -55.6 | 89.9 | 149.7 | -74.6 | 163.8 | 0 | 0 | 0 | 103.6 | W61 P65 | W61-L63 HydrophobicContact CB-CD1 4.47Å; W61-L63 HydrophobicContact CB-CG 4.32Å; W61-L63 HydrophobicContact CE3-CD1 3.66Å; W61-L63 HydrophobicContact CE3-CD2 3.97Å; W61-L63 HydrophobicContact CE3-CG 3.74Å; W61-L63 HydrophobicContact CZ3-CD1 4.31Å; W61-L63 HydrophobicContact CZ3-CD2 4.29Å; W61-L63 HydrophobicContact CZ3-CG 4.49Å; W61-L63 PolarHBondContact O-N 3.14Å; L63-P65 WeakPolarHBondContact O-CD 3.39Å; L63-P65 VanDerWaalsContact O-N 3.15Å | ||
| 64 | L | 42.5 | Very low | 46.8 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | trans | -46.4 | 123.9 | 155.5 | -87.8 | 129.2 | 0 | 0 | 0 | 105.7 | V62 V66 | V62-L64 PolarHBondContact O-N 3.28Å; L64-V66 PolarHBondContact O-N 2.85Å | ||
| 65 | P | 42.5 | Very low | 46.4 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -66.8 | 89.1 | 171 | 26.2 | -29.6 | 0 | 0 | 0 | 106.3 | L63 P67 | L63-P65 WeakPolarHBondContact O-CD 3.39Å; L63-P65 VanDerWaalsContact O-N 3.15Å; P65-P67 VanDerWaalsContact O-CD 3.32Å; P65-P67 WeakPolarHBondContact O-CD 3.41Å | ||
| 66 | V | 42.6 | Very low | 46.2 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | -60.7 | 117.9 | 170.8 | 172.3 | 0 | 0 | 0 | 0 | 105.6 | L64 | L64-V66 PolarHBondContact O-N 2.85Š| ||
| 67 | P | 42.7 | Very low | 45.9 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | -59.8 | 133 | -176.5 | -19.9 | 30.3 | 0 | 0 | 0 | 109.6 | P65 R69 | P65-P67 VanDerWaalsContact O-CD 3.32Å; P65-P67 WeakPolarHBondContact O-CD 3.41Å; P67-R69 PolarHBondContact O-N 2.92Å; P67-R69 VanDerWaalsContact O-N 3.17Å | ||
| 68 | P | 45.3 | Very low | 45.6 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -72 | 115.3 | 177.9 | 28.4 | -30.7 | 0 | 0 | 0 | 108.2 | ||
| 69 | R | 39.9 | Very low | 45.7 | Very low | 233 Ų | 233 | 135.8 Ų | 135.8 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | trans | 146.6 | 102.9 | 144.5 | -80.4 | 162.1 | -176.9 | -137.1 | 0.7 | 110.8 | P67 | P67-R69 PolarHBondContact O-N 2.92Å; P67-R69 VanDerWaalsContact O-N 3.17Å | ||
| 70 | L | 40.9 | Very low | 46.2 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | -171.6 | 112.1 | 116.2 | -101.7 | 151.4 | 0 | 0 | 0 | 106.5 | L72 | L70-L72 PolarHBondContact O-N 3.47Š| |||
| 71 | E | 43.3 | Very low | 46.6 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | trans | -58.8 | 82.7 | 169.4 | -66.7 | 173.8 | 134 | 0 | 0 | 109 | ||||
| 72 | L | 44.5 | Very low | 46.8 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | trans | -105.9 | 102 | 165.7 | -117.2 | 126.2 | 0 | 0 | 0 | 106.2 | L70 L74 | L70-L72 PolarHBondContact O-N 3.47Å; L72-L74 VanDerWaalsContact C-N 3.29Å; L72-L74 PolarHBondContact O-N 3.36Å | ||
| 73 | L | 44.7 | Very low | 47.5 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | trans | -35.4 | 85.5 | 168.1 | -76.5 | 140.3 | 0 | 0 | 0 | 111.8 | ||||
| 74 | L | 45.6 | Very low | 47.8 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 131.8 | 158.2 | -105 | 90 | 0 | 0 | 0 | 107.6 | L72 S76 | L72-L74 VanDerWaalsContact C-N 3.29Å; L72-L74 PolarHBondContact O-N 3.36Å; L74-S76 PolarHBondContact O-N 3.35Å; L74-S76 VanDerWaalsContact O-N 3.13Å |
| 75 | P | 48.4 | Very low | 48.3 | Very low | 116 Ų | 116 | 143 Ų | 143 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122.2 | -179.3 | 27 | -31.1 | 0 | 0 | 0 | 108 | P77 | P75-P77 WeakPolarHBondContact O-CD 3.35Å; P75-P77 VanDerWaalsContact O-N 3.12Å |
| 76 | S | 51.8 | Low | 49 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 116.9 | 179.1 | -176.4 | 0 | 0 | 0 | 0 | 110 | L74 V78 | L74-S76 PolarHBondContact O-N 3.35Å; L74-S76 VanDerWaalsContact O-N 3.13Å; S76-V78 PolarHBondContact O-N 3.48Å |
| 77 | P | 52.4 | Low | 49.8 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | trans | -64.2 | 114.2 | 174.1 | 23.9 | -29.7 | 0 | 0 | 0 | 107.6 | P75 N79 | P75-P77 WeakPolarHBondContact O-CD 3.35Å; P75-P77 VanDerWaalsContact O-N 3.12Å; P77-N79 PolarHBondContact O-N 3.37Å | ||
| 78 | V | 51.4 | Low | 50.5 | Low | 125 Ų | 125 | 139.5 Ų | 139.5 | 76% | 0.758 | 72% | 0.721 | S | S | * | * | trans | -47 | 117.7 | 175 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | S76 Y80 | S76-V78 PolarHBondContact O-N 3.48Å; V78-Y80 VanDerWaalsContact C-N 3.32Å; V78-Y80 PolarHBondContact O-N 2.89Å | ||
| 79 | N | 52.7 | Low | 51 | Low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | trans | -56.3 | 89.9 | -179.9 | -178.4 | -6.9 | 0 | 0 | 0 | 109.7 | P77 N81 | P77-N79 PolarHBondContact O-N 3.37Å; N79-N81 PolarHBondContact O-N 2.92Å | ||
| 80 | Y | 53.5 | Low | 51.8 | Low | 220 Ų | 220 | 131.6 Ų | 131.6 | 86% | 0.863 | 69% | 0.689 | S | S | * | * | trans | -72.1 | 102.3 | 171.2 | -119.1 | -88.1 | 0 | 0 | 0 | 107.7 | V78 R82 | V78-Y80 VanDerWaalsContact C-N 3.32Å; V78-Y80 PolarHBondContact O-N 2.89Å; Y80-R82 PolarHBondContact O-N 2.98Å | ||
| 81 | N | 52.8 | Low | 52.7 | Low | 122 Ų | 122 | 128.8 Ų | 128.8 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | trans | -5.1 | 94.7 | 164.4 | -99.7 | -32.4 | 0 | 0 | 0 | 114.8 | N79 S83 A84 | N79-N81 PolarHBondContact O-N 2.92Å; N81-S83 PolarHBondContact O-N 2.95Å; N81-A84 PolarHBondContact O-N 3.35Å | ||
| 82 | R | 55.3 | Low | 53.5 | Low | 208 Ų | 208 | 125.5 Ų | 125.5 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -12.7 | 167.8 | -178.4 | -179.6 | -88.1 | -154.5 | -4.3 | 113.4 | Y80 A84 | Y80-R82 PolarHBondContact O-N 2.98Å; R82-A84 VanDerWaalsContact C-N 3.34Å; R82-A84 PolarHBondContact O-N 3.02Å |
| 83 | S | 56.6 | Low | 54.3 | Low | 64 Ų | 64 | 122.7 Ų | 122.7 | 45% | 0.448 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.4 | -31.1 | 178.2 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | N81 W85 N86 N87 | N81-S83 PolarHBondContact O-N 2.95Å; S83-W85 PolarHBondContact O-N 2.82Å; S83-N86 PolarHBondContact O-N 2.92Å; S83-N87 PolarHBondContact O-ND2 3.31Å |
| 84 | A | 55.2 | Low | 55.5 | Low | 64 Ų | 64 | 118.6 Ų | 118.6 | 53% | 0.529 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.9 | -39.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N81 R82 N86 N87 T88 | N81-A84 PolarHBondContact O-N 3.35Å; R82-A84 VanDerWaalsContact C-N 3.34Å; R82-A84 PolarHBondContact O-N 3.02Å; A84-N86 PolarHBondContact O-N 2.92Å; A84-N87 PolarHBondContact O-N 2.9Å; A84-T88 PolarHBondContact O-N 2.99Å; A84-T88 PolarHBondContact O-OG1 3.5Å |
| 85 | W | 52.8 | Low | 56.6 | Low | 205 Ų | 205 | 118.8 Ų | 118.8 | 78% | 0.777 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66 | -39.3 | -179 | -168.7 | -73.3 | 0 | 0 | 0 | 112.8 | S83 N87 T88 A89 | S83-W85 PolarHBondContact O-N 2.82Å; W85-N87 PolarHBondContact O-N 3.45Å; W85-T88 PolarHBondContact O-N 3.39Å; W85-A89 PolarHBondContact O-N 3.02Å |
| 86 | N | 57.5 | Low | 57.8 | Low | 104 Ų | 104 | 117 Ų | 117 | 56% | 0.556 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.8 | -28.7 | -177.8 | -69.9 | -15.2 | 0 | 0 | 0 | 112.4 | S83 A84 K90 | S83-N86 PolarHBondContact O-N 2.92Å; A84-N86 PolarHBondContact O-N 2.92Å; N86-K90 WeakPolarHBondContact O-CB 3.49Å; N86-K90 PolarHBondContact O-N 3.31Å |
| 87 | N | 58.8 | Low | 58.7 | Low | 99 Ų | 99 | 116.8 Ų | 116.8 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -75.7 | -42.3 | 178.1 | -66.9 | -27.8 | 0 | 0 | 0 | 111.5 | S83 A84 W85 K90 I91 | S83-N87 PolarHBondContact O-ND2 3.31Å; A84-N87 PolarHBondContact O-N 2.9Å; W85-N87 PolarHBondContact O-N 3.45Å; N87-K90 PolarHBondContact O-N 2.89Å; N87-I91 VanDerWaalsContact O-CG1 3.25Å; N87-I91 WeakPolarHBondContact O-CG1 3.37Å; N87-I91 PolarHBondContact O-N 3.09Å |
| 88 | T | 57.9 | Low | 60.1 | Low | 78 Ų | 78 | 116.7 Ų | 116.7 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.9 | -46.5 | 178.5 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | A84 W85 K90 I91 E92 | A84-T88 PolarHBondContact O-N 2.99Å; A84-T88 PolarHBondContact O-OG1 3.5Å; W85-T88 PolarHBondContact O-N 3.39Å; T88-K90 VanDerWaalsContact C-N 3.28Å; T88-K90 PolarHBondContact O-N 3.44Å; T88-I91 PolarHBondContact O-N 3.41Å; T88-E92 WeakPolarHBondContact O-CG 3.37Å; T88-E92 PolarHBondContact O-N 2.99Å |
| 89 | A | 56.1 | Low | 61.3 | Low | 41 Ų | 41 | 115.6 Ų | 115.6 | 34% | 0.339 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.1 | -35.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | W85 T93 | W85-A89 PolarHBondContact O-N 3.02Å; A89-T93 PolarHBondContact O-N 3.32Å; A89-T93 PolarHBondContact O-OG1 3.47Å |
| 90 | K | 56.8 | Low | 62.5 | Low | 143 Ų | 143 | 116.6 Ų | 116.6 | 62% | 0.622 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.8 | -38.8 | 177.5 | -164.9 | 174.1 | -175.4 | -179.3 | 0 | 112 | N86 N87 T88 T93 N94 | N86-K90 WeakPolarHBondContact O-CB 3.49Å; N86-K90 PolarHBondContact O-N 3.31Å; N87-K90 PolarHBondContact O-N 2.89Å; T88-K90 VanDerWaalsContact C-N 3.28Å; T88-K90 PolarHBondContact O-N 3.44Å; K90-T93 PolarHBondContact O-N 3.04Å; K90-N94 VanDerWaalsContact O-CG 3.32Å; K90-N94 PolarHBondContact O-N 3.36Å; K90-N94 VanDerWaalsContact O-N 3.1Å; K90-N94 PolarHBondContact O-ND2 3.41Å |
| 91 | I | 58.8 | Low | 63.9 | Low | 94 Ų | 94 | 112.5 Ų | 112.5 | 48% | 0.482 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.8 | -47.9 | 176.9 | -69 | 166 | 0 | 0 | 0 | 110 | N87 T88 T93 N94 Y95 | N87-I91 VanDerWaalsContact O-CG1 3.25Å; N87-I91 WeakPolarHBondContact O-CG1 3.37Å; N87-I91 PolarHBondContact O-N 3.09Å; T88-I91 PolarHBondContact O-N 3.41Å; I91-T93 VanDerWaalsContact C-N 3.3Å; I91-T93 PolarHBondContact O-N 3.09Å; I91-N94 PolarHBondContact O-N 2.9Å; I91-Y95 HydrophobicContact CG2-CD2 3.62Å; I91-Y95 HydrophobicContact CG2-CE2 3.48Å; I91-Y95 VanDerWaalsContact CG2-CE2 3.48Å; I91-Y95 VanDerWaalsContact O-CD2 3.26Å; I91-Y95 WeakPolarHBondContact O-CD2 3.45Å; I91-Y95 PolarHBondContact O-N 3.12Å; I91-Y95 VanDerWaalsContact O-N 3.08Å |
| 92 | E | 59.4 | Low | 65.4 | Low | 130 Ų | 130 | 114.3 Ų | 114.3 | 61% | 0.607 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.6 | -41.5 | 177.8 | -72.4 | 176.9 | -177.4 | 0 | 0 | 112.3 | T88 N94 Y95 S96 | T88-E92 WeakPolarHBondContact O-CG 3.37Å; T88-E92 PolarHBondContact O-N 2.99Å; E92-N94 PolarHBondContact O-N 3.11Å; E92-Y95 PolarHBondContact O-N 3.48Å; E92-S96 PolarHBondContact O-N 2.85Å; E92-S96 VanDerWaalsContact O-N 3.09Å |
| 93 | T | 61.6 | Low | 66.7 | Low | 79 Ų | 79 | 110 Ų | 110 | 49% | 0.485 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.7 | -42 | 178.4 | -52.2 | 0 | 0 | 0 | 0 | 111.7 | A89 K90 I91 S96 L97 | A89-T93 PolarHBondContact O-N 3.32Å; A89-T93 PolarHBondContact O-OG1 3.47Å; K90-T93 PolarHBondContact O-N 3.04Å; I91-T93 VanDerWaalsContact C-N 3.3Å; I91-T93 PolarHBondContact O-N 3.09Å; T93-S96 PolarHBondContact O-N 2.84Å; T93-L97 HydrophobicContact CG2-CD1 4.27Å; T93-L97 WeakPolarHBondContact O-CG 3.31Å; T93-L97 PolarHBondContact O-N 2.88Å |
| 94 | N | 70.6 | Confident | 67.8 | Low | 92 Ų | 92 | 114.2 Ų | 114.2 | 49% | 0.492 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.5 | -40 | -179.3 | -72.6 | -15.3 | 0 | 0 | 0 | 112.2 | K90 I91 E92 L97 L98 | K90-N94 VanDerWaalsContact O-CG 3.32Å; K90-N94 PolarHBondContact O-N 3.36Å; K90-N94 VanDerWaalsContact O-N 3.1Å; K90-N94 PolarHBondContact O-ND2 3.41Å; I91-N94 PolarHBondContact O-N 2.9Å; E92-N94 PolarHBondContact O-N 3.11Å; N94-L97 PolarHBondContact O-N 2.94Å; N94-L98 WeakPolarHBondContact O-CB 3.39Å; N94-L98 PolarHBondContact O-N 3.1Å |
| 95 | Y | 68.2 | Low | 69.1 | Low | 152 Ų | 152 | 118.2 Ų | 118.2 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.1 | -39.4 | 174.9 | -82.9 | -72.9 | 0 | 0 | 0 | 112.1 | I91 E92 N99 | I91-Y95 HydrophobicContact CG2-CD2 3.62Å; I91-Y95 HydrophobicContact CG2-CE2 3.48Å; I91-Y95 VanDerWaalsContact CG2-CE2 3.48Å; I91-Y95 VanDerWaalsContact O-CD2 3.26Å; I91-Y95 WeakPolarHBondContact O-CD2 3.45Å; I91-Y95 PolarHBondContact O-N 3.12Å; I91-Y95 VanDerWaalsContact O-N 3.08Å; E92-Y95 PolarHBondContact O-N 3.48Å; Y95-N99 WeakPolarHBondContact O-CB 3.48Å; Y95-N99 PolarHBondContact O-N 3.5Å; Y95-N99 PolarHBondContact O-ND2 3.5Å |
| 96 | S | 73.1 | Confident | 70.3 | Confident | 79 Ų | 79 | 110.8 Ų | 110.8 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.1 | -45.7 | 177.1 | -172.4 | 0 | 0 | 0 | 0 | 112 | E92 T93 N99 Y100 | E92-S96 PolarHBondContact O-N 2.85Å; E92-S96 VanDerWaalsContact O-N 3.09Å; T93-S96 PolarHBondContact O-N 2.84Å; S96-N99 PolarHBondContact O-N 3.2Å; S96-Y100 WeakPolarHBondContact O-CB 3.35Å; S96-Y100 PolarHBondContact O-N 3.34Å |
| 97 | L | 72.3 | Confident | 71.2 | Confident | 98 Ų | 98 | 109.1 Ų | 109.1 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 178.2 | -71 | 175.4 | 0 | 0 | 0 | 112.6 | T93 N94 Y100 M101 | T93-L97 HydrophobicContact CG2-CD1 4.27Å; T93-L97 WeakPolarHBondContact O-CG 3.31Å; T93-L97 PolarHBondContact O-N 2.88Å; N94-L97 PolarHBondContact O-N 2.94Å; L97-Y100 WeakPolarHBondContact O-CB 3.45Å; L97-Y100 PolarHBondContact O-N 3.5Å; L97-M101 WeakPolarHBondContact O-CG 3.25Å; L97-M101 PolarHBondContact O-N 3.44Å |
| 98 | L | 80.4 | Confident | 72 | Confident | 113 Ų | 113 | 107 Ų | 107 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 177.1 | -173.1 | 68.1 | 0 | 0 | 0 | 111.2 | N94 Y100 M101 Y102 | N94-L98 WeakPolarHBondContact O-CB 3.39Å; N94-L98 PolarHBondContact O-N 3.1Å; L98-Y100 VanDerWaalsContact C-N 3.33Å; L98-Y100 PolarHBondContact O-N 3.08Å; L98-M101 PolarHBondContact O-N 2.76Å; L98-Y102 WeakPolarHBondContact O-CB 3.27Å; L98-Y102 PolarHBondContact O-N 3.42Å |
| 99 | N | 76.4 | Confident | 72.6 | Confident | 102 Ų | 102 | 106 Ų | 106 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.6 | -79 | -23.9 | 0 | 0 | 0 | 111.7 | Y95 S96 Y102 M103 | Y95-N99 WeakPolarHBondContact O-CB 3.48Å; Y95-N99 PolarHBondContact O-N 3.5Å; Y95-N99 PolarHBondContact O-ND2 3.5Å; S96-N99 PolarHBondContact O-N 3.2Å; N99-Y102 PolarHBondContact O-N 3.09Å; N99-M103 WeakPolarHBondContact O-CB 3.26Å; N99-M103 VanDerWaalsContact O-CG 3.25Å; N99-M103 WeakPolarHBondContact O-CG 3.25Å; N99-M103 PolarHBondContact O-N 3.14Å |
| 100 | Y | 78.2 | Confident | 73.3 | Confident | 162 Ų | 162 | 110.1 Ų | 110.1 | 64% | 0.635 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62 | -46.2 | 175.4 | -176.9 | -94 | 0 | 0 | 0 | 112 | S96 L97 L98 Y102 M103 Y104 | S96-Y100 WeakPolarHBondContact O-CB 3.35Å; S96-Y100 PolarHBondContact O-N 3.34Å; L97-Y100 WeakPolarHBondContact O-CB 3.45Å; L97-Y100 PolarHBondContact O-N 3.5Å; L98-Y100 VanDerWaalsContact C-N 3.33Å; L98-Y100 PolarHBondContact O-N 3.08Å; Y100-Y102 VanDerWaalsContact C-N 3.34Å; Y100-Y102 PolarHBondContact O-N 3.44Å; Y100-M103 PolarHBondContact O-N 2.75Å; Y100-Y104 WeakPolarHBondContact O-CB 3.17Å; Y100-Y104 PolarHBondContact O-N 3.21Å |
| 101 | M | 82.9 | Confident | 73.9 | Confident | 133 Ų | 133 | 107 Ų | 107 | 66% | 0.655 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.3 | -39.4 | 176.5 | -74.7 | -174.8 | 69.8 | 0 | 0 | 112.2 | L97 L98 Y104 K105 | L97-M101 WeakPolarHBondContact O-CG 3.25Å; L97-M101 PolarHBondContact O-N 3.44Å; L98-M101 PolarHBondContact O-N 2.76Å; M101-Y104 PolarHBondContact O-N 3.18Å; M101-K105 WeakPolarHBondContact O-CB 3.46Å; M101-K105 PolarHBondContact O-N 3.3Å |
| 102 | Y | 83.6 | Confident | 74.3 | Confident | 161 Ų | 161 | 107.2 Ų | 107.2 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -48.3 | 176.1 | -173.9 | -98.4 | 0 | 0 | 0 | 111.3 | L98 N99 Y100 Y104 K105 V106 | L98-Y102 WeakPolarHBondContact O-CB 3.27Å; L98-Y102 PolarHBondContact O-N 3.42Å; N99-Y102 PolarHBondContact O-N 3.09Å; Y100-Y102 VanDerWaalsContact C-N 3.34Å; Y100-Y102 PolarHBondContact O-N 3.44Å; Y102-Y104 VanDerWaalsContact C-N 3.35Å; Y102-Y104 PolarHBondContact O-N 3.35Å; Y102-K105 PolarHBondContact O-N 3.22Å; Y102-V106 HydrophobicContact CD1-CG2 4.21Å; Y102-V106 HydrophobicContact CE1-CG2 3.87Å; Y102-V106 WeakPolarHBondContact O-CG2 3.46Å; Y102-V106 PolarHBondContact O-N 2.64Å |
| 103 | M | 83.4 | Confident | 74.4 | Confident | 118 Ų | 118 | 106.8 Ų | 106.8 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 177.2 | -71 | -65.1 | -74.6 | 0 | 0 | 111.7 | N99 Y100 K105 V106 C107 | N99-M103 WeakPolarHBondContact O-CB 3.26Å; N99-M103 VanDerWaalsContact O-CG 3.25Å; N99-M103 WeakPolarHBondContact O-CG 3.25Å; N99-M103 PolarHBondContact O-N 3.14Å; Y100-M103 PolarHBondContact O-N 2.75Å; M103-K105 PolarHBondContact O-N 3.01Å; M103-V106 PolarHBondContact O-N 2.8Å; M103-C107 PolarHBondContact O-N 3.36Å; M103-C107 PolarHBondContact O-SG 2.97Å |
| 104 | Y | 81 | Confident | 74.3 | Confident | 151 Ų | 151 | 107.9 Ų | 107.9 | 59% | 0.592 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.4 | -45.4 | 176.8 | -174.2 | -98 | 0 | 0 | 0 | 111.8 | Y100 M101 Y102 V106 C107 V108 | Y100-Y104 WeakPolarHBondContact O-CB 3.17Å; Y100-Y104 PolarHBondContact O-N 3.21Å; M101-Y104 PolarHBondContact O-N 3.18Å; Y102-Y104 VanDerWaalsContact C-N 3.35Å; Y102-Y104 PolarHBondContact O-N 3.35Å; Y104-V106 PolarHBondContact O-N 3.48Å; Y104-C107 PolarHBondContact O-N 3.26Å; Y104-V108 HydrophobicContact CD1-CG2 4.08Å; Y104-V108 HydrophobicContact CE1-CG2 3.7Å; Y104-V108 HydrophobicContact CE2-CG2 4.36Å; Y104-V108 WeakPolarHBondContact O-CG2 3.48Å; Y104-V108 PolarHBondContact O-N 3.46Å |
| 105 | K | 81.9 | Confident | 73.7 | Confident | 148 Ų | 148 | 112.8 Ų | 112.8 | 64% | 0.643 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.5 | -42.4 | 178.3 | -168.2 | 175.2 | -178.3 | -179.8 | 0 | 111.8 | M101 Y102 M103 V108 C109 | M101-K105 WeakPolarHBondContact O-CB 3.46Å; M101-K105 PolarHBondContact O-N 3.3Å; Y102-K105 PolarHBondContact O-N 3.22Å; M103-K105 PolarHBondContact O-N 3.01Å; K105-V108 PolarHBondContact O-N 3.18Å; K105-C109 WeakPolarHBondContact O-CB 3.39Å; K105-C109 PolarHBondContact O-N 3.47Å; K105-C109 PolarHBondContact O-SG 2.85Å |
| 106 | V | 78.1 | Confident | 73 | Confident | 49 Ų | 49 | 115 Ų | 115 | 30% | 0.297 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.2 | -45.2 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 111 | Y102 M103 Y104 V108 C109 M110 | Y102-V106 HydrophobicContact CD1-CG2 4.21Å; Y102-V106 HydrophobicContact CE1-CG2 3.87Å; Y102-V106 WeakPolarHBondContact O-CG2 3.46Å; Y102-V106 PolarHBondContact O-N 2.64Å; M103-V106 PolarHBondContact O-N 2.8Å; Y104-V106 PolarHBondContact O-N 3.48Å; V106-V108 PolarHBondContact O-N 3.38Å; V106-C109 PolarHBondContact O-N 3.31Å; V106-M110 HydrophobicContact CG1-CE 3.53Å; V106-M110 WeakPolarHBondContact O-CG 3.28Å; V106-M110 PolarHBondContact O-N 3.28Å |
| 107 | C | 75.5 | Confident | 73 | Confident | 70 Ų | 70 | 116.9 Ų | 116.9 | 47% | 0.473 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.8 | -42.7 | 177.2 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | M103 Y104 M110 T111 | M103-C107 PolarHBondContact O-N 3.36Å; M103-C107 PolarHBondContact O-SG 2.97Å; Y104-C107 PolarHBondContact O-N 3.26Å; C107-M110 PolarHBondContact O-N 3.45Å; C107-T111 PolarHBondContact O-N 2.92Å; C107-T111 PolarHBondContact O-OG1 2.74Å |
| 108 | V | 76.1 | Confident | 73 | Confident | 53 Ų | 53 | 117.8 Ų | 117.8 | 32% | 0.321 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.5 | -42.5 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | Y104 K105 V106 M110 T111 I112 | Y104-V108 HydrophobicContact CD1-CG2 4.08Å; Y104-V108 HydrophobicContact CE1-CG2 3.7Å; Y104-V108 HydrophobicContact CE2-CG2 4.36Å; Y104-V108 WeakPolarHBondContact O-CG2 3.48Å; Y104-V108 PolarHBondContact O-N 3.46Å; K105-V108 PolarHBondContact O-N 3.18Å; V106-V108 PolarHBondContact O-N 3.38Å; V108-M110 PolarHBondContact O-N 3.32Å; V108-T111 WeakPolarHBondContact O-CB 3.25Å; V108-T111 PolarHBondContact O-N 3.38Å; V108-I112 HydrophobicContact CG1-CD1 3.88Å; V108-I112 HydrophobicContact CG1-CG1 4.48Å; V108-I112 WeakPolarHBondContact O-CG1 3.32Å; V108-I112 PolarHBondContact O-N 3.03Å |
| 109 | C | 71.3 | Confident | 72.6 | Confident | 59 Ų | 59 | 118.1 Ų | 118.1 | 40% | 0.399 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.9 | -42 | 176.8 | -70.2 | 0 | 0 | 0 | 0 | 112.6 | K105 V106 T111 I112 N113 | K105-C109 WeakPolarHBondContact O-CB 3.39Å; K105-C109 PolarHBondContact O-N 3.47Å; K105-C109 PolarHBondContact O-SG 2.85Å; V106-C109 PolarHBondContact O-N 3.31Å; C109-T111 VanDerWaalsContact C-N 3.26Å; C109-T111 PolarHBondContact O-N 3.38Å; C109-I112 PolarHBondContact O-N 2.79Å; C109-N113 PolarHBondContact O-N 3.17Å; C109-N113 VanDerWaalsContact O-N 3.09Å; C109-N113 PolarHBondContact O-ND2 3.41Å |
| 110 | M | 70.7 | Confident | 72.4 | Confident | 126 Ų | 126 | 119.1 Ų | 119.1 | 62% | 0.621 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.4 | -36.7 | 175.4 | -70.4 | -153 | -130.5 | 0 | 0 | 111.6 | V106 C107 V108 S114 | V106-M110 HydrophobicContact CG1-CE 3.53Å; V106-M110 WeakPolarHBondContact O-CG 3.28Å; V106-M110 PolarHBondContact O-N 3.28Å; C107-M110 PolarHBondContact O-N 3.45Å; V108-M110 PolarHBondContact O-N 3.32Å; M110-S114 PolarHBondContact O-N 2.76Å; M110-S114 PolarHBondContact O-OG 2.78Å |
| 111 | T | 69.2 | Low | 72 | Confident | 77 Ų | 77 | 116.4 Ų | 116.4 | 47% | 0.472 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.1 | -48.6 | 177.8 | -52.5 | 0 | 0 | 0 | 0 | 111 | C107 V108 C109 N113 S114 Y115 | C107-T111 PolarHBondContact O-N 2.92Å; C107-T111 PolarHBondContact O-OG1 2.74Å; V108-T111 WeakPolarHBondContact O-CB 3.25Å; V108-T111 PolarHBondContact O-N 3.38Å; C109-T111 VanDerWaalsContact C-N 3.26Å; C109-T111 PolarHBondContact O-N 3.38Å; T111-N113 VanDerWaalsContact C-N 3.33Å; T111-N113 PolarHBondContact O-N 3.13Å; T111-S114 PolarHBondContact O-N 3.06Å; T111-S114 VanDerWaalsContact O-N 3.13Å; T111-Y115 HydrophobicContact CG2-CD2 4.2Å; T111-Y115 HydrophobicContact CG2-CE2 3.77Å; T111-Y115 WeakPolarHBondContact O-CD2 3.41Å |
| 112 | I | 66.4 | Low | 71.3 | Confident | 99 Ų | 99 | 115.3 Ų | 115.3 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.4 | -40.7 | -179.5 | -65.8 | 167.3 | 0 | 0 | 0 | 111.3 | V108 C109 S114 Y115 | V108-I112 HydrophobicContact CG1-CD1 3.88Å; V108-I112 HydrophobicContact CG1-CG1 4.48Å; V108-I112 WeakPolarHBondContact O-CG1 3.32Å; V108-I112 PolarHBondContact O-N 3.03Å; C109-I112 PolarHBondContact O-N 2.79Å; I112-S114 PolarHBondContact O-N 3.06Å; I112-Y115 PolarHBondContact O-N 3.03Å; I112-Y115 VanDerWaalsContact O-N 3.15Å |
| 113 | N | 61.6 | Low | 70.4 | Confident | 122 Ų | 122 | 112 Ų | 112 | 65% | 0.652 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.8 | -17.5 | 178.7 | -71.4 | -21.5 | 0 | 0 | 0 | 113.6 | C109 T111 Y115 | C109-N113 PolarHBondContact O-N 3.17Å; C109-N113 VanDerWaalsContact O-N 3.09Å; C109-N113 PolarHBondContact O-ND2 3.41Å; T111-N113 VanDerWaalsContact C-N 3.33Å; T111-N113 PolarHBondContact O-N 3.13Å; N113-Y115 VanDerWaalsContact C-N 3.34Å |
| 114 | S | 60.1 | Low | 69.4 | Low | 101 Ų | 101 | 111.5 Ų | 111.5 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -9.2 | 173.1 | -66 | 0 | 0 | 0 | 0 | 113.7 | M110 T111 I112 | M110-S114 PolarHBondContact O-N 2.76Å; M110-S114 PolarHBondContact O-OG 2.78Å; T111-S114 PolarHBondContact O-N 3.06Å; T111-S114 VanDerWaalsContact O-N 3.13Å; I112-S114 PolarHBondContact O-N 3.06Å |
| 115 | Y | 57.4 | Low | 68.4 | Low | 196 Ų | 196 | 108.3 Ų | 108.3 | 77% | 0.769 | 58% | 0.577 | S | S | * | * | trans | -104.8 | -2.4 | -179 | -76.2 | -74.4 | 0 | 0 | 0 | 114.8 | T111 I112 N113 | T111-Y115 HydrophobicContact CG2-CD2 4.2Å; T111-Y115 HydrophobicContact CG2-CE2 3.77Å; T111-Y115 WeakPolarHBondContact O-CD2 3.41Å; I112-Y115 PolarHBondContact O-N 3.03Å; I112-Y115 VanDerWaalsContact O-N 3.15Å; N113-Y115 VanDerWaalsContact C-N 3.34Å | ||
| 116 | N | 52.7 | Low | 67.2 | Low | 199 Ų | 199 | 104.6 Ų | 104.6 | 100% | 1.064 | 57% | 0.571 | S | S | * | * | trans | -107 | 0 | 170.6 | -85.5 | -25.4 | 0 | 0 | 0 | 110.3 |
Retrieved 116 of 116 residues in 121.9 ms
(Link to these results)