| 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 | 39.5 | Very low | 37.5 | Very low | 243 Ų | 243 | 158 Ų | 158 | 100% | 1.197 | 81% | 0.814 | S | S | * | * | 0 | 119.9 | 0 | -65.6 | 166.1 | 85.7 | 0 | 0 | 107.2 | |||||
| 2 | S | 35.6 | Very low | 38 | Very low | 98 Ų | 98 | 154.9 Ų | 154.9 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | trans | -101 | 126.3 | -179.1 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | H4 | S2-H4 PolarHBondContact OG-CE1 3.34Å; S2-H4 PolarHBondContact OG-ND1 3.23Å; S2-H4 VanDerWaalsContact OG-ND1 3.15Å | ||
| 3 | V | 36.2 | Very low | 38.1 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -99.7 | 100.5 | 179.6 | -144.9 | 0 | 0 | 0 | 0 | 107.5 | R5 | V3-R5 PolarHBondContact O-N 3.17Š| ||
| 4 | H | 40.6 | Very low | 38.3 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | trans | -78.1 | 111.8 | 176.8 | -73.5 | 33.5 | 0 | 0 | 0 | 108.8 | S2 V6 | S2-H4 PolarHBondContact OG-CE1 3.34Å; S2-H4 PolarHBondContact OG-ND1 3.23Å; S2-H4 VanDerWaalsContact OG-ND1 3.15Å; H4-V6 PolarHBondContact O-N 3.08Å; H4-V6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | R | 36.3 | Very low | 38.6 | Very low | 241 Ų | 241 | 142.1 Ų | 142.1 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -74.8 | 96 | 176.5 | -62.9 | 172.7 | 68.9 | 96.9 | -0.4 | 108.3 | V3 R7 | V3-R5 PolarHBondContact O-N 3.17Å; R5-R7 PolarHBondContact O-N 3.15Å | ||
| 6 | V | 40.6 | Very low | 39.3 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -72.9 | 109.3 | 168 | 176.8 | 0 | 0 | 0 | 0 | 107.2 | H4 L8 | H4-V6 PolarHBondContact O-N 3.08Å; H4-V6 VanDerWaalsContact O-N 3.1Å; V6-L8 PolarHBondContact O-N 2.82Å | ||
| 7 | R | 35.9 | Very low | 39.6 | Very low | 211 Ų | 211 | 139 Ų | 139 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | -64 | 111.6 | 172.1 | -169.6 | 178.3 | -171.4 | 112.9 | -1.4 | 106.8 | R5 E9 | R5-R7 PolarHBondContact O-N 3.15Å; R7-E9 VanDerWaalsContact C-N 3.27Å; R7-E9 HydrophobicContact CG-CG 4.22Å; R7-E9 PolarHBondContact O-N 3.23Å | ||
| 8 | L | 41.7 | Very low | 39.8 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -70 | 92.5 | 168.4 | -76.3 | 173.9 | 0 | 0 | 0 | 107.5 | V6 S10 | V6-L8 PolarHBondContact O-N 2.82Å; L8-S10 PolarHBondContact O-N 2.94Å | ||
| 9 | E | 31.9 | Very low | 40.3 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -72.6 | 105.5 | 166.8 | -64.4 | -173.9 | 113.9 | 0 | 0 | 106.8 | R7 S11 | R7-E9 VanDerWaalsContact C-N 3.27Å; R7-E9 HydrophobicContact CG-CG 4.22Å; R7-E9 PolarHBondContact O-N 3.23Å; E9-S11 PolarHBondContact O-N 3.19Å | ||
| 10 | S | 37.2 | Very low | 40.7 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -64.6 | 86.9 | 172.4 | -57.6 | 0 | 0 | 0 | 0 | 108.6 | L8 S12 | L8-S10 PolarHBondContact O-N 2.94Å; S10-S12 PolarHBondContact O-N 3.1Å; S10-S12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | S | 36.5 | Very low | 40.8 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -69 | 105.8 | 172.1 | -153.3 | 0 | 0 | 0 | 0 | 107.9 | E9 T13 | E9-S11 PolarHBondContact O-N 3.19Å; S11-T13 PolarHBondContact O-N 2.81Å | ||
| 12 | S | 44.3 | Very low | 41.4 | Very low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -77.3 | 42.8 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | S10 G14 | S10-S12 PolarHBondContact O-N 3.1Å; S10-S12 VanDerWaalsContact O-N 3.08Å; S12-G14 PolarHBondContact O-N 3.38Å | ||
| 13 | T | 39.2 | Very low | 42 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -86.5 | 102.8 | 169.6 | -53.4 | 0 | 0 | 0 | 0 | 106.9 | S11 S15 | S11-T13 PolarHBondContact O-N 2.81Å; T13-S15 PolarHBondContact O-N 2.97Å | ||
| 14 | G | 40.7 | Very low | 42.4 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 73% | 0.734 | S | S | * | * | trans | -55.3 | 99.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S12 S16 | S12-G14 PolarHBondContact O-N 3.38Å; G14-S16 PolarHBondContact O-N 3.39Å | ||
| 15 | S | 43.3 | Very low | 42.6 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 58% | 0.58 | 72% | 0.717 | S | S | * | * | trans | -77.6 | 101.4 | 170.7 | 65.3 | 0 | 0 | 0 | 0 | 108 | T13 F17 | T13-S15 PolarHBondContact O-N 2.97Å; S15-F17 PolarHBondContact O-N 2.83Å | ||
| 16 | S | 48.5 | Very low | 43.2 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | trans | -67.2 | 111.2 | 164.4 | 47.9 | 0 | 0 | 0 | 0 | 108.8 | G14 | G14-S16 PolarHBondContact O-N 3.39Š| ||
| 17 | F | 44.7 | Very low | 43.5 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 51% | 0.509 | 70% | 0.703 | S | S | . | * | trans | -76.7 | 141.4 | 166.8 | -67 | -81.4 | 0 | 0 | 0 | 109.1 | S15 A19 V25 L27 | S15-F17 PolarHBondContact O-N 2.83Å; F17-A19 PolarHBondContact O-N 2.86Å; F17-A19 VanDerWaalsContact O-N 3.11Å; F17-V25 HydrophobicContact CD1-CG1 4.19Å; F17-V25 HydrophobicContact CE1-CG1 4.42Å; F17-L27 HydrophobicContact CD1-CD2 4.45Å; F17-L27 HydrophobicContact CD2-CD2 3.67Å; F17-L27 HydrophobicContact CE1-CD2 4.42Å; F17-L27 HydrophobicContact CE2-CD2 3.63Å; F17-L27 HydrophobicContact CG-CD2 4.1Å; F17-L27 HydrophobicContact CZ-CD2 4.03Å | ||
| 18 | P | 44 | Very low | 43.9 | Very low | 98 Ų | 98 | 109.4 Ų | 109.4 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | trans | -62.9 | 117.6 | 177.5 | 25.4 | -31.4 | 0 | 0 | 0 | 108.9 | D20 | P18-D20 PolarHBondContact O-N 2.98Š| ||
| 19 | A | 49.4 | Very low | 43.9 | Very low | 106 Ų | 106 | 108.5 Ų | 108.5 | 88% | 0.876 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -70.1 | 11.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F17 | F17-A19 PolarHBondContact O-N 2.86Å; F17-A19 VanDerWaalsContact O-N 3.11Å |
| 20 | D | 46.8 | Very low | 44.5 | Very low | 156 Ų | 156 | 106 Ų | 106 | 83% | 0.834 | 69% | 0.688 | S | S | * | * | trans | -124.8 | 38.3 | -169.6 | -171.3 | 23.8 | 0 | 0 | 0 | 112.4 | P18 | P18-D20 PolarHBondContact O-N 2.98Š| ||
| 21 | S | 44.8 | Very low | 45.1 | Very low | 56 Ų | 56 | 105.4 Ų | 105.4 | 39% | 0.392 | 68% | 0.684 | S | S | . | * | trans | -113.5 | 101.8 | 174.3 | 164.7 | 0 | 0 | 0 | 0 | 108.7 | K23 | S21-K23 CarbonylContact O-C 3.6Å; S21-K23 PolarHBondContact O-N 2.91Å; S21-K23 PolarHBondContact OG-N 3.25Å; S21-K23 PolarHBondContact OG-O 3.35Å | ||
| 22 | A | 51.8 | Low | 45.7 | Very low | 110 Ų | 110 | 103.9 Ų | 103.9 | 91% | 0.909 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -62.7 | 13.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 23 | K | 48.1 | Very low | 46.3 | Very low | 163 Ų | 163 | 104.9 Ų | 104.9 | 71% | 0.709 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -114 | 132.1 | 167.4 | -70.2 | -178.5 | 179.1 | 179.3 | 0 | 107.6 | S21 V25 | S21-K23 CarbonylContact O-C 3.6Å; S21-K23 PolarHBondContact O-N 2.91Å; S21-K23 PolarHBondContact OG-N 3.25Å; S21-K23 PolarHBondContact OG-O 3.35Å; K23-V25 PolarHBondContact O-N 3.13Å |
| 24 | P | 43.6 | Very low | 47.1 | Very low | 91 Ų | 91 | 102.9 Ų | 102.9 | 59% | 0.591 | 65% | 0.648 | S | S | * | * | trans | -55.6 | 113.7 | 172.8 | 22.7 | -30.7 | 0 | 0 | 0 | 108 | P26 | P24-P26 VanDerWaalsContact O-CD 3.31Å; P24-P26 WeakPolarHBondContact O-CD 3.48Å | ||
| 25 | V | 44.8 | Very low | 48 | Very low | 61 Ų | 61 | 102.6 Ų | 102.6 | 37% | 0.37 | 63% | 0.631 | S | S | . | * | trans | -67.3 | 121.5 | 165.3 | 177.9 | 0 | 0 | 0 | 0 | 104.5 | F17 K23 L27 | F17-V25 HydrophobicContact CD1-CG1 4.19Å; F17-V25 HydrophobicContact CE1-CG1 4.42Å; K23-V25 PolarHBondContact O-N 3.13Å; V25-L27 HydrophobicContact CG1-CD2 4.42Å; V25-L27 PolarHBondContact O-N 3.44Å | ||
| 26 | P | 48.9 | Very low | 48.9 | Very low | 116 Ų | 116 | 104.3 Ų | 104.3 | 75% | 0.753 | 64% | 0.641 | S | S | * | * | trans | -63.4 | 94 | 171.7 | -15.2 | 29.3 | 0 | 0 | 0 | 106.8 | P24 A28 | P24-P26 VanDerWaalsContact O-CD 3.31Å; P24-P26 WeakPolarHBondContact O-CD 3.48Å; P26-A28 PolarHBondContact O-N 2.98Å | ||
| 27 | L | 47.8 | Very low | 49.6 | Very low | 116 Ų | 116 | 102.7 Ų | 102.7 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | trans | -66.6 | 92.3 | 171.5 | -70 | -179 | 0 | 0 | 0 | 105.9 | F17 V25 | F17-L27 HydrophobicContact CD1-CD2 4.45Å; F17-L27 HydrophobicContact CD2-CD2 3.67Å; F17-L27 HydrophobicContact CE1-CD2 4.42Å; F17-L27 HydrophobicContact CE2-CD2 3.63Å; F17-L27 HydrophobicContact CG-CD2 4.1Å; F17-L27 HydrophobicContact CZ-CD2 4.03Å; V25-L27 HydrophobicContact CG1-CD2 4.42Å; V25-L27 PolarHBondContact O-N 3.44Å | ||
| 28 | A | 44.4 | Very low | 50.3 | Low | 69 Ų | 69 | 99.1 Ų | 99.1 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | trans | 43.9 | 111.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P26 V30 | P26-A28 PolarHBondContact O-N 2.98Å; A28-V30 HydrophobicContact CB-CG2 3.67Å; A28-V30 PolarHBondContact O-N 3Å | ||
| 29 | V | 41 | Very low | 51 | Low | 129 Ų | 129 | 99.4 Ų | 99.4 | 78% | 0.782 | 61% | 0.61 | S | S | * | * | trans | -57.3 | 88.5 | 145 | 173.4 | 0 | 0 | 0 | 0 | 106 | S31 | V29-S31 WeakPolarHBondContact CG1-OG 3.19Å; V29-S31 PolarHBondContact O-N 3.32Å | ||
| 30 | V | 43.9 | Very low | 51.7 | Low | 109 Ų | 109 | 98.2 Ų | 98.2 | 66% | 0.661 | 59% | 0.594 | S | S | * | * | trans | -74.7 | 82.1 | 167.9 | 180 | 0 | 0 | 0 | 0 | 104.2 | A28 L32 | A28-V30 HydrophobicContact CB-CG2 3.67Å; A28-V30 PolarHBondContact O-N 3Å; V30-L32 HydrophobicContact CG1-CB 4.07Å; V30-L32 PolarHBondContact O-N 3.03Å | ||
| 31 | S | 49.8 | Very low | 52.5 | Low | 108 Ų | 108 | 98.8 Ų | 98.8 | 76% | 0.755 | 58% | 0.584 | S | S | * | * | trans | -68.3 | 79.8 | 161.2 | -76.8 | 0 | 0 | 0 | 0 | 107 | V29 | V29-S31 WeakPolarHBondContact CG1-OG 3.19Å; V29-S31 PolarHBondContact O-N 3.32Å | ||
| 32 | L | 49.2 | Very low | 53.1 | Low | 69 Ų | 69 | 98.9 Ų | 98.9 | 36% | 0.361 | 58% | 0.58 | S | S | . | * | trans | -77 | 123.6 | 171.6 | -171.5 | 49 | 0 | 0 | 0 | 107.9 | V30 I34 V38 L42 | V30-L32 HydrophobicContact CG1-CB 4.07Å; V30-L32 PolarHBondContact O-N 3.03Å; L32-I34 WeakPolarHBondContact O-CG1 3.46Å; L32-I34 PolarHBondContact O-N 3.19Å; L32-V38 HydrophobicContact CD2-CG1 3.44Å; L32-V38 VanDerWaalsContact CD2-CG1 3.44Å; L32-V38 HydrophobicContact CG-CG1 4.11Å; L32-L42 HydrophobicContact CD2-CD1 4.03Å; L32-L42 HydrophobicContact CD2-CD2 3.92Å; L32-L42 HydrophobicContact CD2-CG 4.23Å | ||
| 33 | D | 57.3 | Low | 53.5 | Low | 141 Ų | 141 | 97.2 Ų | 97.2 | 75% | 0.754 | 56% | 0.558 | S | S | * | * | trans | -63.6 | 103.2 | 170.3 | -160.1 | 5.9 | 0 | 0 | 0 | 107.6 | T35 | D33-T35 VanDerWaalsContact C-N 3.3Å; D33-T35 PolarHBondContact O-N 2.94Å | ||
| 34 | I | 56.8 | Low | 54 | Low | 73 Ų | 73 | 94.8 Ų | 94.8 | 37% | 0.374 | 55% | 0.55 | S | S | . | . | trans | -70.3 | 87.3 | -172.1 | -49.7 | -71.6 | 0 | 0 | 0 | 107.9 | L32 Y39 L42 | L32-I34 WeakPolarHBondContact O-CG1 3.46Å; L32-I34 PolarHBondContact O-N 3.19Å; I34-Y39 HydrophobicContact CG2-CD2 3.51Å; I34-Y39 HydrophobicContact CG2-CE2 4.4Å; I34-Y39 HydrophobicContact CG2-CG 4.21Å; I34-L42 HydrophobicContact CD1-CD1 3.24Å | ||
| 35 | T | 59.8 | Low | 54.7 | Low | 69 Ų | 69 | 97.9 Ų | 97.9 | 42% | 0.423 | 55% | 0.554 | S | S | . | * | trans | -70.6 | 144.2 | 162.2 | 60.9 | 0 | 0 | 0 | 0 | 108.4 | D33 A37 V38 Y39 | D33-T35 VanDerWaalsContact C-N 3.3Å; D33-T35 PolarHBondContact O-N 2.94Å; T35-A37 PolarHBondContact O-N 2.86Å; T35-V38 WeakPolarHBondContact O-CB 3.18Å; T35-V38 PolarHBondContact O-N 2.94Å; T35-V38 WeakPolarHBondContact OG1-CG2 3.39Å; T35-Y39 PolarHBondContact O-N 3.3Å | ||
| 36 | P | 61.2 | Low | 55.4 | Low | 119 Ų | 119 | 97 Ų | 97 | 77% | 0.773 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -19.3 | -176.6 | 16.6 | -28.4 | 0 | 0 | 0 | 114 | ||
| 37 | A | 63.8 | Low | 55.8 | Low | 81 Ų | 81 | 96.3 Ų | 96.3 | 67% | 0.669 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -22.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T35 | T35-A37 PolarHBondContact O-N 2.86Š|
| 38 | V | 59.4 | Low | 56 | Low | 41 Ų | 41 | 97.5 Ų | 97.5 | 25% | 0.248 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -24.6 | -175.2 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | L32 T35 R41 L42 | L32-V38 HydrophobicContact CD2-CG1 3.44Å; L32-V38 VanDerWaalsContact CD2-CG1 3.44Å; L32-V38 HydrophobicContact CG-CG1 4.11Å; T35-V38 WeakPolarHBondContact O-CB 3.18Å; T35-V38 PolarHBondContact O-N 2.94Å; T35-V38 WeakPolarHBondContact OG1-CG2 3.39Å; V38-R41 WeakPolarHBondContact O-CB 3.46Å; V38-R41 PolarHBondContact O-N 2.79Å; V38-R41 VanDerWaalsContact O-N 3.13Å; V38-L42 HydrophobicContact CG1-CD1 3.87Å; V38-L42 HydrophobicContact CG1-CG 3.91Å; V38-L42 PolarHBondContact O-N 3.27Å |
| 39 | Y | 58.6 | Low | 56.4 | Low | 104 Ų | 104 | 97.2 Ų | 97.2 | 41% | 0.408 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -54 | -46.1 | 179.5 | -161.3 | -109.8 | 0 | 0 | 0 | 113.9 | I34 T35 R41 L42 V43 S67 | I34-Y39 HydrophobicContact CG2-CD2 3.51Å; I34-Y39 HydrophobicContact CG2-CE2 4.4Å; I34-Y39 HydrophobicContact CG2-CG 4.21Å; T35-Y39 PolarHBondContact O-N 3.3Å; Y39-R41 VanDerWaalsContact C-N 3.3Å; Y39-R41 PolarHBondContact O-N 3.5Å; Y39-L42 PolarHBondContact O-N 3.41Å; Y39-V43 HydrophobicContact CD1-CG2 4.2Å; Y39-V43 HydrophobicContact CE1-CG2 4.09Å; Y39-V43 VanDerWaalsContact O-CG2 3.28Å; Y39-V43 WeakPolarHBondContact O-CG2 3.28Å; Y39-V43 PolarHBondContact O-N 3.48Å; Y39-S67 PolarHBondContact OH-OG 2.83Å |
| 40 | P | 63.2 | Low | 56.9 | Low | 81 Ų | 81 | 93.5 Ų | 93.5 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 179.2 | -20.7 | 33.6 | 0 | 0 | 0 | 112.5 | V43 E44 | P40-V43 PolarHBondContact O-N 2.91Å; P40-E44 WeakPolarHBondContact O-CB 3.16Å; P40-E44 PolarHBondContact O-N 3.37Å |
| 41 | R | 63.2 | Low | 57.1 | Low | 169 Ų | 169 | 94.6 Ų | 94.6 | 64% | 0.638 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 179.7 | -60.5 | -82 | -174.5 | 171.3 | -1.5 | 110.5 | V38 Y39 E44 F45 | V38-R41 WeakPolarHBondContact O-CB 3.46Å; V38-R41 PolarHBondContact O-N 2.79Å; V38-R41 VanDerWaalsContact O-N 3.13Å; Y39-R41 VanDerWaalsContact C-N 3.3Å; Y39-R41 PolarHBondContact O-N 3.5Å; R41-E44 PolarHBondContact O-N 2.88Å; R41-F45 WeakPolarHBondContact O-CD2 3.31Å; R41-F45 PolarHBondContact O-N 3.49Å |
| 42 | L | 59 | Low | 57.1 | Low | 58 Ų | 58 | 93.6 Ų | 93.6 | 30% | 0.304 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 177.4 | -72.8 | 175.1 | 0 | 0 | 0 | 112.5 | L32 I34 V38 Y39 E44 F45 L46 | L32-L42 HydrophobicContact CD2-CD1 4.03Å; L32-L42 HydrophobicContact CD2-CD2 3.92Å; L32-L42 HydrophobicContact CD2-CG 4.23Å; I34-L42 HydrophobicContact CD1-CD1 3.24Å; V38-L42 HydrophobicContact CG1-CD1 3.87Å; V38-L42 HydrophobicContact CG1-CG 3.91Å; V38-L42 PolarHBondContact O-N 3.27Å; Y39-L42 PolarHBondContact O-N 3.41Å; L42-E44 VanDerWaalsContact C-N 3.3Å; L42-F45 PolarHBondContact O-N 3.01Å; L42-L46 WeakPolarHBondContact O-CB 3.14Å; L42-L46 PolarHBondContact O-N 2.67Å |
| 43 | V | 60.6 | Low | 57 | Low | 74 Ų | 74 | 93.2 Ų | 93.2 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 174 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | Y39 P40 L46 H47 | Y39-V43 HydrophobicContact CD1-CG2 4.2Å; Y39-V43 HydrophobicContact CE1-CG2 4.09Å; Y39-V43 VanDerWaalsContact O-CG2 3.28Å; Y39-V43 WeakPolarHBondContact O-CG2 3.28Å; Y39-V43 PolarHBondContact O-N 3.48Å; P40-V43 PolarHBondContact O-N 2.91Å; V43-L46 PolarHBondContact O-N 2.81Å; V43-H47 WeakPolarHBondContact O-CB 3.47Å; V43-H47 PolarHBondContact O-N 2.91Å |
| 44 | E | 58.4 | Low | 56.6 | Low | 112 Ų | 112 | 91.1 Ų | 91.1 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 178.2 | -163.4 | 171.6 | -162.1 | 0 | 0 | 112.3 | P40 R41 L42 H47 F48 | P40-E44 WeakPolarHBondContact O-CB 3.16Å; P40-E44 PolarHBondContact O-N 3.37Å; R41-E44 PolarHBondContact O-N 2.88Å; L42-E44 VanDerWaalsContact C-N 3.3Å; E44-H47 PolarHBondContact O-N 3.14Å; E44-F48 WeakPolarHBondContact O-CB 3.33Å; E44-F48 PolarHBondContact O-N 2.95Å |
| 45 | F | 57 | Low | 56.1 | Low | 157 Ų | 157 | 92.7 Ų | 92.7 | 69% | 0.689 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.8 | -46.6 | 172.4 | -87.3 | -74.7 | 0 | 0 | 0 | 111.7 | R41 L42 H47 F48 D49 | R41-F45 WeakPolarHBondContact O-CD2 3.31Å; R41-F45 PolarHBondContact O-N 3.49Å; L42-F45 PolarHBondContact O-N 3.01Å; F45-H47 VanDerWaalsContact C-N 3.33Å; F45-H47 PolarHBondContact O-N 2.92Å; F45-F48 PolarHBondContact O-N 3.13Å; F45-D49 VanDerWaalsContact O-CB 3.31Å; F45-D49 WeakPolarHBondContact O-CB 3.49Å; F45-D49 PolarHBondContact O-N 3.11Å |
| 46 | L | 59.4 | Low | 55.6 | Low | 42 Ų | 42 | 99 Ų | 99 | 22% | 0.22 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 177.5 | -178 | 58.3 | 0 | 0 | 0 | 111.1 | L42 V43 D49 I50 C69 V71 | L42-L46 WeakPolarHBondContact O-CB 3.14Å; L42-L46 PolarHBondContact O-N 2.67Å; V43-L46 PolarHBondContact O-N 2.81Å; L46-D49 PolarHBondContact O-N 3.44Å; L46-I50 HydrophobicContact CD1-CD1 3.64Å; L46-I50 HydrophobicContact CD1-CG1 3.96Å; L46-I50 HydrophobicContact CD2-CD1 4.32Å; L46-I50 HydrophobicContact CG-CD1 3.52Å; L46-I50 HydrophobicContact CG-CG1 4.28Å; L46-I50 VanDerWaalsContact O-CB 3.24Å; L46-I50 WeakPolarHBondContact O-CB 3.24Å; L46-I50 VanDerWaalsContact O-CD1 3.28Å; L46-I50 WeakPolarHBondContact O-CD1 3.29Å; L46-I50 WeakPolarHBondContact O-CG1 3.38Å; L46-I50 PolarHBondContact O-N 2.93Å; L46-C69 HydrophobicContact CD2-CB 4.21Å; L46-V71 HydrophobicContact CD1-CG2 3.4Å; L46-V71 VanDerWaalsContact CD1-CG2 3.4Å |
| 47 | H | 58 | Low | 55.3 | Low | 101 Ų | 101 | 95 Ų | 95 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 177.6 | -173.9 | -114 | 0 | 0 | 0 | 112.1 | V43 E44 F45 Q51 | V43-H47 WeakPolarHBondContact O-CB 3.47Å; V43-H47 PolarHBondContact O-N 2.91Å; E44-H47 PolarHBondContact O-N 3.14Å; F45-H47 VanDerWaalsContact C-N 3.33Å; F45-H47 PolarHBondContact O-N 2.92Å; H47-Q51 PolarHBondContact CE1-NE2 3.21Å; H47-Q51 VanDerWaalsContact CE1-NE2 3.29Å; H47-Q51 PolarHBondContact CE1-OE1 2.87Å; H47-Q51 PolarHBondContact NE2-NE2 2.87Å; H47-Q51 WeakPolarHBondContact O-CB 3.21Å; H47-Q51 VanDerWaalsContact O-CG 3.24Å; H47-Q51 WeakPolarHBondContact O-CG 3.03Å; H47-Q51 PolarHBondContact O-N 3.42Å |
| 48 | F | 51.8 | Low | 54.8 | Low | 142 Ų | 142 | 98.5 Ų | 98.5 | 62% | 0.623 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 173.6 | -106.4 | -85.3 | 0 | 0 | 0 | 111.9 | E44 F45 Q51 S52 | E44-F48 WeakPolarHBondContact O-CB 3.33Å; E44-F48 PolarHBondContact O-N 2.95Å; F45-F48 PolarHBondContact O-N 3.13Å; F48-Q51 PolarHBondContact O-N 3.29Å; F48-S52 VanDerWaalsContact O-CB 3.29Å; F48-S52 WeakPolarHBondContact O-CB 3.24Å; F48-S52 PolarHBondContact O-N 2.95Å; F48-S52 PolarHBondContact O-OG 3.33Å |
| 49 | D | 53.5 | Low | 54.5 | Low | 63 Ų | 63 | 100.8 Ų | 100.8 | 34% | 0.337 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | -179.7 | -164.2 | 70.7 | 0 | 0 | 0 | 111.8 | F45 L46 Q51 S52 T53 | F45-D49 VanDerWaalsContact O-CB 3.31Å; F45-D49 WeakPolarHBondContact O-CB 3.49Å; F45-D49 PolarHBondContact O-N 3.11Å; L46-D49 PolarHBondContact O-N 3.44Å; D49-Q51 VanDerWaalsContact C-N 3.31Å; D49-Q51 PolarHBondContact O-N 2.85Å; D49-S52 WeakPolarHBondContact CA-OG 3.31Å; D49-S52 PolarHBondContact O-N 3.46Å; D49-S52 VanDerWaalsContact O-N 3.14Å; D49-S52 PolarHBondContact O-OG 3.47Å; D49-T53 PolarHBondContact O-N 3.41Å; D49-T53 PolarHBondContact O-OG1 3.37Å |
| 50 | I | 51.3 | Low | 53.9 | Low | 50 Ų | 50 | 99.5 Ų | 99.5 | 26% | 0.256 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -31.8 | 174.5 | -68.1 | 165 | 0 | 0 | 0 | 112 | L46 S57 | L46-I50 HydrophobicContact CD1-CD1 3.64Å; L46-I50 HydrophobicContact CD1-CG1 3.96Å; L46-I50 HydrophobicContact CD2-CD1 4.32Å; L46-I50 HydrophobicContact CG-CD1 3.52Å; L46-I50 HydrophobicContact CG-CG1 4.28Å; L46-I50 VanDerWaalsContact O-CB 3.24Å; L46-I50 WeakPolarHBondContact O-CB 3.24Å; L46-I50 VanDerWaalsContact O-CD1 3.28Å; L46-I50 WeakPolarHBondContact O-CD1 3.29Å; L46-I50 WeakPolarHBondContact O-CG1 3.38Å; L46-I50 PolarHBondContact O-N 2.93Å; I50-S57 WeakPolarHBondContact CD1-OG 3.28Å |
| 51 | Q | 47.3 | Very low | 53.2 | Low | 132 Ų | 132 | 101.7 Ų | 101.7 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -77.9 | -28.3 | 174.7 | -74.8 | -170.5 | -36.1 | 0 | 0 | 112.2 | H47 F48 D49 | H47-Q51 PolarHBondContact CE1-NE2 3.21Å; H47-Q51 VanDerWaalsContact CE1-NE2 3.29Å; H47-Q51 PolarHBondContact CE1-OE1 2.87Å; H47-Q51 PolarHBondContact NE2-NE2 2.87Å; H47-Q51 WeakPolarHBondContact O-CB 3.21Å; H47-Q51 VanDerWaalsContact O-CG 3.24Å; H47-Q51 WeakPolarHBondContact O-CG 3.03Å; H47-Q51 PolarHBondContact O-N 3.42Å; F48-Q51 PolarHBondContact O-N 3.29Å; D49-Q51 VanDerWaalsContact C-N 3.31Å; D49-Q51 PolarHBondContact O-N 2.85Å |
| 52 | S | 49.9 | Very low | 52.5 | Low | 87 Ų | 87 | 97.6 Ų | 97.6 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -84.4 | -24.2 | -178.9 | 71.2 | 0 | 0 | 0 | 0 | 114.2 | F48 D49 | F48-S52 VanDerWaalsContact O-CB 3.29Å; F48-S52 WeakPolarHBondContact O-CB 3.24Å; F48-S52 PolarHBondContact O-N 2.95Å; F48-S52 PolarHBondContact O-OG 3.33Å; D49-S52 WeakPolarHBondContact CA-OG 3.31Å; D49-S52 PolarHBondContact O-N 3.46Å; D49-S52 VanDerWaalsContact O-N 3.14Å; D49-S52 PolarHBondContact O-OG 3.47Å |
| 53 | T | 47.5 | Very low | 52.1 | Low | 61 Ų | 61 | 101 Ų | 101 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -104.8 | 121.4 | 171.9 | 48.8 | 0 | 0 | 0 | 0 | 108.9 | D49 Q55 | D49-T53 PolarHBondContact O-N 3.41Å; D49-T53 PolarHBondContact O-OG1 3.37Å; T53-Q55 PolarHBondContact O-N 2.77Å |
| 54 | G | 49.4 | Very low | 51.7 | Low | 97 Ų | 97 | 106.2 Ų | 106.2 | 100% | 1 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -64.3 | 16.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 55 | Q | 46.7 | Very low | 51.2 | Low | 107 Ų | 107 | 110.6 Ų | 110.6 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | trans | -105 | 121.2 | 177.1 | -83.9 | -156.9 | 38.4 | 0 | 0 | 111.2 | T53 S57 | T53-Q55 PolarHBondContact O-N 2.77Å; Q55-S57 PolarHBondContact O-N 2.99Å | ||
| 56 | K | 49.3 | Very low | 50.6 | Low | 201 Ų | 201 | 107.3 Ų | 107.3 | 87% | 0.874 | 57% | 0.57 | S | S | * | * | trans | -77.4 | 118.9 | -179.6 | -173.7 | 166.6 | 171.6 | -77.3 | 0 | 110.7 | ||||
| 57 | S | 53.4 | Low | 50.2 | Low | 34 Ų | 34 | 107.1 Ų | 107.1 | 24% | 0.238 | 57% | 0.572 | C | S | . | * | trans | -73.9 | 150.3 | 171 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | I50 Q55 | I50-S57 WeakPolarHBondContact CD1-OG 3.28Å; Q55-S57 PolarHBondContact O-N 2.99Å | ||
| 58 | H | 53.7 | Low | 49.7 | Very low | 156 Ų | 156 | 108.9 Ų | 108.9 | 72% | 0.722 | 58% | 0.581 | S | S | * | * | trans | -99.1 | 102.5 | 179.4 | 179.8 | -94.7 | 0 | 0 | 0 | 110 | V60 | H58-V60 WeakPolarHBondContact CE1-CG2 3.36Å; H58-V60 WeakPolarHBondContact ND1-CG2 3.36Å | ||
| 59 | C | 52.4 | Low | 49.5 | Very low | 88 Ų | 88 | 105.1 Ų | 105.1 | 60% | 0.595 | 57% | 0.572 | S | S | * | * | trans | -80.9 | 116.5 | 176.2 | -53.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 60 | V | 47.8 | Very low | 49.3 | Very low | 78 Ų | 78 | 109.8 Ų | 109.8 | 47% | 0.473 | 59% | 0.589 | S | S | . | * | trans | -96.7 | 112 | 170.7 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | H58 T62 | H58-V60 WeakPolarHBondContact CE1-CG2 3.36Å; H58-V60 WeakPolarHBondContact ND1-CG2 3.36Å; V60-T62 PolarHBondContact O-N 2.73Å | ||
| 61 | N | 48.6 | Very low | 49.1 | Very low | 126 Ų | 126 | 110.6 Ų | 110.6 | 67% | 0.674 | 60% | 0.596 | S | S | * | * | trans | -81 | 105.5 | 173.6 | -160.4 | 7 | 0 | 0 | 0 | 108.6 | ||||
| 62 | T | 46.6 | Very low | 49.2 | Very low | 83 Ų | 83 | 110.5 Ų | 110.5 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | trans | -98.6 | 108.5 | 170.4 | -0.3 | 0 | 0 | 0 | 0 | 107.8 | V60 H64 R65 | V60-T62 PolarHBondContact O-N 2.73Å; T62-H64 PolarHBondContact O-N 2.74Å; T62-R65 PolarHBondContact O-N 3.47Å | ||
| 63 | D | 51.7 | Low | 49.2 | Very low | 129 Ų | 129 | 111.3 Ų | 111.3 | 69% | 0.69 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 4.8 | -168.4 | -70.8 | -58.6 | 0 | 0 | 0 | 117 | ||
| 64 | H | 52 | Low | 49.3 | Very low | 184 Ų | 184 | 112.6 Ų | 112.6 | 85% | 0.852 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.8 | 10.5 | -173.9 | -68.9 | -66.2 | 0 | 0 | 0 | 116.6 | T62 | T62-H64 PolarHBondContact O-N 2.74Š|
| 65 | R | 47.6 | Very low | 49.1 | Very low | 204 Ų | 204 | 115 Ų | 115 | 77% | 0.77 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -149.7 | 151.1 | 170.8 | -83.3 | -144.7 | 95.7 | 168.9 | 7.1 | 110.4 | T62 S67 | T62-R65 PolarHBondContact O-N 3.47Å; R65-S67 PolarHBondContact O-N 3.13Å |
| 66 | P | 45.3 | Very low | 49.1 | Very low | 89 Ų | 89 | 114.5 Ų | 114.5 | 58% | 0.578 | 59% | 0.593 | S | S | * | * | trans | -52 | 115.5 | 177.9 | 21.5 | -30.8 | 0 | 0 | 0 | 108.5 | Q68 | P66-Q68 PolarHBondContact O-N 3.32Å; P66-Q68 VanDerWaalsContact O-N 3.13Å | ||
| 67 | S | 51 | Low | 49.1 | Very low | 37 Ų | 37 | 111.3 Ų | 111.3 | 26% | 0.259 | 59% | 0.585 | S | S | . | * | trans | -49.8 | 111.6 | -171.9 | 28.9 | 0 | 0 | 0 | 0 | 110.1 | Y39 R65 C69 | Y39-S67 PolarHBondContact OH-OG 2.83Å; R65-S67 PolarHBondContact O-N 3.13Å; S67-C69 PolarHBondContact O-N 3.4Å | ||
| 68 | Q | 47.6 | Very low | 48.5 | Very low | 138 Ų | 138 | 115.1 Ų | 115.1 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | trans | -69.2 | 100.7 | 172.8 | -69.9 | -178.9 | -5.2 | 0 | 0 | 107.9 | P66 F70 | P66-Q68 PolarHBondContact O-N 3.32Å; P66-Q68 VanDerWaalsContact O-N 3.13Å; Q68-F70 HydrophobicContact CB-CE2 3.85Å; Q68-F70 HydrophobicContact CB-CZ 4.1Å | ||
| 69 | C | 46.8 | Very low | 47.7 | Very low | 64 Ų | 64 | 116.6 Ų | 116.6 | 43% | 0.432 | 64% | 0.64 | S | S | . | * | trans | -83.2 | 116 | 166.3 | -83.8 | 0 | 0 | 0 | 0 | 108.6 | L46 S67 | L46-C69 HydrophobicContact CD2-CB 4.21Å; S67-C69 PolarHBondContact O-N 3.4Å | ||
| 70 | F | 48.8 | Very low | 47.5 | Very low | 161 Ų | 161 | 118 Ų | 118 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | trans | -92.1 | 118.4 | 167.6 | -60.7 | -83.9 | 0 | 0 | 0 | 107.9 | Q68 | Q68-F70 HydrophobicContact CB-CE2 3.85Å; Q68-F70 HydrophobicContact CB-CZ 4.1Å | ||
| 71 | V | 46.8 | Very low | 47.5 | Very low | 66 Ų | 66 | 120.1 Ų | 120.1 | 40% | 0.4 | 65% | 0.651 | S | S | . | * | trans | -102.2 | 114.1 | 172.1 | -170 | 0 | 0 | 0 | 0 | 107.1 | L46 I73 | L46-V71 HydrophobicContact CD1-CG2 3.4Å; L46-V71 VanDerWaalsContact CD1-CG2 3.4Å; V71-I73 HydrophobicContact CG1-CD1 4.44Å; V71-I73 HydrophobicContact CG1-CG1 3.77Å | ||
| 72 | L | 50.7 | Low | 47.4 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 68% | 0.681 | 65% | 0.65 | S | S | * | * | trans | -93.4 | 98.4 | 170.2 | -177.4 | 63.6 | 0 | 0 | 0 | 107.5 | I74 | L72-I74 HydrophobicContact CD2-CD1 3.96Å; L72-I74 HydrophobicContact CD2-CG1 4.18Å; L72-I74 HydrophobicContact CG-CD1 4.24Å; L72-I74 HydrophobicContact CG-CG1 3.88Å; L72-I74 PolarHBondContact O-N 3.43Å | ||
| 73 | I | 50 | Low | 47.5 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 54% | 0.538 | 66% | 0.658 | S | S | . | * | trans | -83.8 | 107.2 | 173.4 | -55.1 | 176.5 | 0 | 0 | 0 | 107.1 | V71 | V71-I73 HydrophobicContact CG1-CD1 4.44Å; V71-I73 HydrophobicContact CG1-CG1 3.77Å | ||
| 74 | I | 49.1 | Very low | 47.2 | Very low | 88 Ų | 88 | 121.5 Ų | 121.5 | 45% | 0.451 | 66% | 0.656 | S | S | . | * | trans | -97.9 | 113.7 | 169.6 | -47.9 | -167.9 | 0 | 0 | 0 | 107 | L72 S76 | L72-I74 HydrophobicContact CD2-CD1 3.96Å; L72-I74 HydrophobicContact CD2-CG1 4.18Å; L72-I74 HydrophobicContact CG-CD1 4.24Å; L72-I74 HydrophobicContact CG-CG1 3.88Å; L72-I74 PolarHBondContact O-N 3.43Å; I74-S76 PolarHBondContact O-N 2.93Å; I74-S76 VanDerWaalsContact O-N 3.13Å | ||
| 75 | Q | 44.9 | Very low | 46.9 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | trans | -62.3 | 114.9 | 172.9 | -167.2 | 174.5 | -52.3 | 0 | 0 | 108 | ||||
| 76 | S | 46.3 | Very low | 46.9 | Very low | 98 Ų | 98 | 111.1 Ų | 111.1 | 69% | 0.685 | 63% | 0.634 | S | S | * | * | trans | -87.8 | 105.2 | 169.2 | -57.1 | 0 | 0 | 0 | 0 | 106.4 | I74 S78 | I74-S76 PolarHBondContact O-N 2.93Å; I74-S76 VanDerWaalsContact O-N 3.13Å; S76-S78 PolarHBondContact O-N 2.8Å | ||
| 77 | D | 49.6 | Very low | 47 | Very low | 133 Ų | 133 | 112.8 Ų | 112.8 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | trans | -61.9 | 127.9 | 169.3 | -86.1 | -51.2 | 0 | 0 | 0 | 108.8 | ||||
| 78 | S | 40.9 | Very low | 46.6 | Very low | 114 Ų | 114 | 119.2 Ų | 119.2 | 80% | 0.797 | 67% | 0.67 | S | S | * | * | trans | -83.9 | 116.5 | 174.9 | 61.8 | 0 | 0 | 0 | 0 | 109.6 | S76 | S76-S78 PolarHBondContact O-N 2.8Š| ||
| 79 | S | 38.1 | Very low | 46.5 | Very low | 187 Ų | 187 | 117.5 Ų | 117.5 | 100% | 1.308 | 67% | 0.672 | S | S | * | * | trans | 84.3 | 0 | 167 | -157.8 | 0 | 0 | 0 | 0 | 118.8 |
Retrieved 79 of 79 residues in 96 ms
(Link to these results)