| 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 | 42.9 | Very low | 61.9 | Low | 244 Ų | 244 | 129.6 Ų | 129.6 | 100% | 1.202 | 76% | 0.758 | S | S | * | * | 0 | 116.2 | 0 | -65.6 | -152.8 | -84.7 | 0 | 0 | 106.5 | |||||
| 2 | S | 44 | Very low | 63.2 | Low | 125 Ų | 125 | 133.5 Ų | 133.5 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 117.9 | -173.4 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | A4 | S2-A4 PolarHBondContact O-N 2.9Š|
| 3 | E | 50.9 | Low | 64.2 | Low | 188 Ų | 188 | 132.1 Ų | 132.1 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 122.7 | 175 | -74.4 | 174.1 | 155.7 | 0 | 0 | 110.1 | I5 | E3-I5 PolarHBondContact O-N 3.07Š|
| 4 | A | 56.7 | Low | 65.2 | Low | 73 Ų | 73 | 137.6 Ų | 137.6 | 60% | 0.603 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 117.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S2 Y6 | S2-A4 PolarHBondContact O-N 2.9Å; A4-Y6 HydrophobicContact CB-CE2 4.06Å; A4-Y6 PolarHBondContact O-N 3.01Å |
| 5 | I | 59.7 | Low | 66.5 | Low | 165 Ų | 165 | 135.3 Ų | 135.3 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -80.9 | 110.9 | 173.9 | -60.6 | 166.7 | 0 | 0 | 0 | 107.5 | E3 | E3-I5 PolarHBondContact O-N 3.07Š| ||
| 6 | Y | 60.4 | Low | 67.5 | Low | 198 Ų | 198 | 134.3 Ų | 134.3 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | -88.1 | 131.7 | 171 | -69.8 | -85 | 0 | 0 | 0 | 109.7 | A4 | A4-Y6 HydrophobicContact CB-CE2 4.06Å; A4-Y6 PolarHBondContact O-N 3.01Å | ||
| 7 | P | 67.1 | Low | 68.1 | Low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | trans | -69.2 | 142.1 | 176 | 28.4 | -32.8 | 0 | 0 | 0 | 110.8 | G9 | P7-G9 PolarHBondContact O-N 3.17Š| ||
| 8 | A | 70.1 | Confident | 68.8 | Low | 118 Ų | 118 | 140.6 Ų | 140.6 | 98% | 0.975 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -72.9 | 17 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 9 | G | 72.6 | Confident | 69.3 | Low | 40 Ų | 40 | 142.7 Ų | 142.7 | 41% | 0.412 | 75% | 0.753 | S | S | . | * | S | Bend | trans | -155.3 | 143.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P7 | P7-G9 PolarHBondContact O-N 3.17Š|
| 10 | S | 78.1 | Confident | 69.8 | Low | 58 Ų | 58 | 144.7 Ų | 144.7 | 41% | 0.406 | 76% | 0.758 | S | S | . | * | trans | -84.2 | 142.6 | 175.7 | -167 | 0 | 0 | 0 | 0 | 109.5 | Y12 D13 | S10-Y12 PolarHBondContact O-N 2.88Å; S10-Y12 WeakPolarHBondContact OG-CD2 3.42Å; S10-D13 WeakPolarHBondContact CB-OD2 3.37Å; S10-D13 PolarHBondContact N-OD2 3.39Å; S10-D13 WeakPolarHBondContact O-CB 3.48Å; S10-D13 PolarHBondContact O-N 3.24Å | ||
| 11 | V | 78.3 | Confident | 70.4 | Confident | 110 Ų | 110 | 146.1 Ų | 146.1 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -54.7 | -27.9 | 178.4 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | D13 W14 | V11-D13 VanDerWaalsContact C-N 3.29Å; V11-D13 PolarHBondContact O-N 3.41Å; V11-W14 PolarHBondContact O-N 3.18Å |
| 12 | Y | 77.2 | Confident | 72.4 | Confident | 176 Ų | 176 | 142.1 Ų | 142.1 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -71.3 | -18.1 | 178.5 | -56 | -73.8 | 0 | 0 | 0 | 114.2 | S10 W14 I15 | S10-Y12 PolarHBondContact O-N 2.88Å; S10-Y12 WeakPolarHBondContact OG-CD2 3.42Å; Y12-W14 VanDerWaalsContact C-N 3.26Å; Y12-W14 PolarHBondContact O-N 2.65Å; Y12-I15 HydrophobicContact CD1-CD1 4.09Å; Y12-I15 PolarHBondContact O-N 3.29Å |
| 13 | D | 77 | Confident | 74.5 | Confident | 115 Ų | 115 | 145.1 Ų | 145.1 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -76.9 | -15.8 | 178.2 | -59.5 | -39.5 | 0 | 0 | 0 | 112.3 | S10 V11 | S10-D13 WeakPolarHBondContact CB-OD2 3.37Å; S10-D13 PolarHBondContact N-OD2 3.39Å; S10-D13 WeakPolarHBondContact O-CB 3.48Å; S10-D13 PolarHBondContact O-N 3.24Å; V11-D13 VanDerWaalsContact C-N 3.29Å; V11-D13 PolarHBondContact O-N 3.41Å |
| 14 | W | 77.4 | Confident | 76.3 | Confident | 209 Ų | 209 | 145.3 Ų | 145.3 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -92.7 | -3.2 | 178.2 | -61.6 | -7.9 | 0 | 0 | 0 | 113.3 | V11 Y12 P16 | V11-W14 PolarHBondContact O-N 3.18Å; Y12-W14 VanDerWaalsContact C-N 3.26Å; Y12-W14 PolarHBondContact O-N 2.65Å; W14-P16 VanDerWaalsContact O-CD 3.26Å; W14-P16 WeakPolarHBondContact O-CD 3.39Å |
| 15 | I | 85.3 | Confident | 77.9 | Confident | 104 Ų | 104 | 147.2 Ų | 147.2 | 53% | 0.533 | 74% | 0.744 | S | S | . | * | S | Bend | trans | -79.3 | 113.3 | 173.3 | -57.6 | 173.8 | 0 | 0 | 0 | 107.1 | Y12 K17 | Y12-I15 HydrophobicContact CD1-CD1 4.09Å; Y12-I15 PolarHBondContact O-N 3.29Å; I15-K17 PolarHBondContact O-N 2.81Å; I15-K17 VanDerWaalsContact O-N 3.09Å |
| 16 | P | 81.5 | Confident | 79.4 | Confident | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | -60.1 | 119.5 | 178.5 | -19.9 | 32.8 | 0 | 0 | 0 | 109.1 | W14 E18 | W14-P16 VanDerWaalsContact O-CD 3.26Å; W14-P16 WeakPolarHBondContact O-CD 3.39Å; P16-E18 PolarHBondContact O-N 3.45Å | ||
| 17 | K | 78.8 | Confident | 80.9 | Confident | 191 Ų | 191 | 146.8 Ų | 146.8 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | trans | -68 | 125.2 | 174 | -66.3 | 179.1 | -177.6 | 174.1 | 0 | 107.9 | I15 Q19 | I15-K17 PolarHBondContact O-N 2.81Å; I15-K17 VanDerWaalsContact O-N 3.09Å; K17-Q19 PolarHBondContact O-N 2.91Å | ||
| 18 | E | 81.1 | Confident | 82.2 | Confident | 191 Ų | 191 | 150.4 Ų | 150.4 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | trans | -58.8 | 112.7 | 175.5 | -166.8 | 170.8 | -173 | 0 | 0 | 108.3 | P16 E20 | P16-E18 PolarHBondContact O-N 3.45Å; E18-E20 PolarHBondContact O-N 3.24Å | ||
| 19 | Q | 77.3 | Confident | 83.3 | Confident | 182 Ų | 182 | 148.6 Ų | 148.6 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | trans | -71.2 | 114.4 | 177.4 | -77.9 | 179.4 | -32.9 | 0 | 0 | 108 | K17 E21 | K17-Q19 PolarHBondContact O-N 2.91Å; Q19-E21 PolarHBondContact O-N 3.06Å | ||
| 20 | E | 80.3 | Confident | 84.4 | Confident | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | trans | -59.3 | 113.9 | 173.6 | -65.1 | -175.4 | 176.9 | 0 | 0 | 109.5 | E18 I22 | E18-E20 PolarHBondContact O-N 3.24Å; E20-I22 PolarHBondContact O-N 3.46Å | ||
| 21 | E | 82.7 | Confident | 85.2 | Confident | 174 Ų | 174 | 154.9 Ų | 154.9 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | trans | -64.6 | 107.9 | 175.7 | -70.1 | -169.1 | 166.3 | 0 | 0 | 109.9 | Q19 K23 | Q19-E21 PolarHBondContact O-N 3.06Å; E21-K23 PolarHBondContact O-N 3.12Å | ||
| 22 | I | 84 | Confident | 86 | Confident | 160 Ų | 160 | 156.5 Ų | 156.5 | 82% | 0.821 | 74% | 0.737 | S | S | * | * | trans | -67 | 100.2 | 177.9 | -55.8 | 171.2 | 0 | 0 | 0 | 109 | E20 K24 | E20-I22 PolarHBondContact O-N 3.46Å; I22-K24 PolarHBondContact O-N 2.89Å | ||
| 23 | K | 87.1 | Confident | 86.8 | Confident | 189 Ų | 189 | 155.2 Ų | 155.2 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -69.2 | 111.2 | 174.6 | -66.8 | -177.2 | -176.5 | 175.8 | 0 | 109.8 | E21 | E21-K23 PolarHBondContact O-N 3.12Š| ||
| 24 | K | 89.4 | Confident | 87.6 | Confident | 191 Ų | 191 | 153.6 Ų | 153.6 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137.6 | 177.2 | -65 | 178 | -176.8 | 175.4 | 0 | 110.1 | I22 | I22-K24 PolarHBondContact O-N 2.89Š|
| 25 | P | 89.7 | Confident | 88.4 | Confident | 114 Ų | 114 | 145.7 Ų | 145.7 | 74% | 0.74 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 152.5 | 178 | 27.1 | -34.3 | 0 | 0 | 0 | 110.9 | ||
| 26 | P | 91.2 | Very high | 88.8 | Confident | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 143.9 | 176.1 | 25.5 | -33.5 | 0 | 0 | 0 | 110.8 | Y28 | P26-Y28 PolarHBondContact O-N 3.08Š|
| 27 | R | 92.7 | Very high | 89.3 | Confident | 230 Ų | 230 | 142.9 Ų | 142.9 | 87% | 0.868 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 137 | 179 | -172 | -176.5 | -62.8 | 162.8 | 1.6 | 110.3 | ||
| 28 | Y | 94.3 | Very high | 89.9 | Confident | 183 Ų | 183 | 139.2 Ų | 139.2 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 137 | 173.3 | 174.6 | -99.6 | 0 | 0 | 0 | 112.1 | P26 | P26-Y28 PolarHBondContact O-N 3.08Š|
| 29 | V | 92.9 | Very high | 90.4 | Very high | 79 Ų | 79 | 136.1 Ų | 136.1 | 48% | 0.479 | 66% | 0.662 | S | S | . | * | trans | -124.8 | 130.6 | 172 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | R33 | V29-R33 HydrophobicContact CG1-CB 4.27Å; V29-R33 VanDerWaalsContact CG1-CD 3.44Å | ||
| 30 | S | 95.4 | Very high | 90.8 | Very high | 49 Ų | 49 | 131.9 Ų | 131.9 | 34% | 0.343 | 64% | 0.642 | S | S | . | * | trans | -63 | 137.4 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | F32 R33 | S30-F32 PolarHBondContact O-N 3.49Å; S30-F32 VanDerWaalsContact O-N 3.15Å; S30-F32 PolarHBondContact OG-N 3.28Å; S30-R33 VanDerWaalsContact O-CB 3.28Å; S30-R33 WeakPolarHBondContact O-CB 3.45Å; S30-R33 PolarHBondContact O-N 3.3Å; S30-R33 VanDerWaalsContact O-N 3.11Å | ||
| 31 | K | 95.3 | Very high | 91.1 | Very high | 181 Ų | 181 | 128.5 Ų | 128.5 | 79% | 0.787 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -25.3 | 173.4 | -62.8 | -177.9 | -179.5 | -179.1 | 0 | 112.8 | ||
| 32 | F | 95.3 | Very high | 91.1 | Very high | 145 Ų | 145 | 127.2 Ų | 127.2 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -4.6 | -177.5 | -56.6 | -71.2 | 0 | 0 | 0 | 113.7 | S30 P34 A35 V36 | S30-F32 PolarHBondContact O-N 3.49Å; S30-F32 VanDerWaalsContact O-N 3.15Å; S30-F32 PolarHBondContact OG-N 3.28Å; F32-P34 VanDerWaalsContact C-CD 3.47Å; F32-A35 PolarHBondContact O-N 3.42Å; F32-A35 VanDerWaalsContact O-N 3.11Å; F32-V36 WeakPolarHBondContact O-CG2 3.28Å; F32-V36 PolarHBondContact O-N 3.35Å; F32-V36 VanDerWaalsContact O-N 3.08Å |
| 33 | R | 93.4 | Very high | 90.8 | Very high | 149 Ų | 149 | 124.6 Ų | 124.6 | 56% | 0.562 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -50.2 | -46.4 | 178 | -174.1 | 178.5 | 178.2 | -170 | 0.6 | 113.9 | V29 S30 A35 V36 I37 | V29-R33 HydrophobicContact CG1-CB 4.27Å; V29-R33 VanDerWaalsContact CG1-CD 3.44Å; S30-R33 VanDerWaalsContact O-CB 3.28Å; S30-R33 WeakPolarHBondContact O-CB 3.45Å; S30-R33 PolarHBondContact O-N 3.3Å; S30-R33 VanDerWaalsContact O-N 3.11Å; R33-A35 PolarHBondContact O-N 3.13Å; R33-V36 PolarHBondContact O-N 3.49Å; R33-I37 HydrophobicContact CG-CD1 4.06Å; R33-I37 VanDerWaalsContact O-CG1 3.31Å; R33-I37 WeakPolarHBondContact O-CG1 3.27Å; R33-I37 PolarHBondContact O-N 3.13Å; R33-I37 VanDerWaalsContact O-N 3.16Å |
| 34 | P | 94.6 | Very high | 90.4 | Very high | 80 Ų | 80 | 121.2 Ų | 121.2 | 52% | 0.519 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.9 | -38 | 179 | 24.5 | -33.8 | 0 | 0 | 0 | 112.8 | F32 I37 L38 | F32-P34 VanDerWaalsContact C-CD 3.47Å; P34-I37 PolarHBondContact O-N 3.04Å; P34-L38 WeakPolarHBondContact O-CG 3.24Å; P34-L38 PolarHBondContact O-N 2.83Å; P34-L38 VanDerWaalsContact O-N 3.08Å |
| 35 | A | 94.4 | Very high | 90 | Very high | 43 Ų | 43 | 116.8 Ų | 116.8 | 36% | 0.355 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.6 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F32 R33 I37 L38 E39 | F32-A35 PolarHBondContact O-N 3.42Å; F32-A35 VanDerWaalsContact O-N 3.11Å; R33-A35 PolarHBondContact O-N 3.13Å; A35-I37 VanDerWaalsContact C-N 3.3Å; A35-I37 PolarHBondContact O-N 3.49Å; A35-L38 PolarHBondContact O-N 3.03Å; A35-L38 VanDerWaalsContact O-N 3.14Å; A35-E39 WeakPolarHBondContact O-CG 3.48Å; A35-E39 PolarHBondContact O-N 3.44Å |
| 36 | V | 92.6 | Very high | 89.4 | Confident | 85 Ų | 85 | 116.9 Ų | 116.9 | 52% | 0.515 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.7 | -38.6 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | F32 R33 H40 | F32-V36 WeakPolarHBondContact O-CG2 3.28Å; F32-V36 PolarHBondContact O-N 3.35Å; F32-V36 VanDerWaalsContact O-N 3.08Å; R33-V36 PolarHBondContact O-N 3.49Å; V36-H40 VanDerWaalsContact O-CB 3.25Å; V36-H40 WeakPolarHBondContact O-CB 3.47Å; V36-H40 PolarHBondContact O-N 3.18Å |
| 37 | I | 92.6 | Very high | 89 | Confident | 78 Ų | 78 | 117.3 Ų | 117.3 | 40% | 0.4 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.7 | -46.7 | 175.7 | -68.1 | 165.6 | 0 | 0 | 0 | 110.1 | R33 P34 A35 H40 M41 | R33-I37 HydrophobicContact CG-CD1 4.06Å; R33-I37 VanDerWaalsContact O-CG1 3.31Å; R33-I37 WeakPolarHBondContact O-CG1 3.27Å; R33-I37 PolarHBondContact O-N 3.13Å; R33-I37 VanDerWaalsContact O-N 3.16Å; P34-I37 PolarHBondContact O-N 3.04Å; A35-I37 VanDerWaalsContact C-N 3.3Å; A35-I37 PolarHBondContact O-N 3.49Å; I37-H40 PolarHBondContact O-N 3.1Å; I37-M41 HydrophobicContact CG2-CE 4.44Å; I37-M41 HydrophobicContact CG2-CG 4.3Å; I37-M41 WeakPolarHBondContact O-CB 3.31Å; I37-M41 WeakPolarHBondContact O-CG 3.44Å; I37-M41 PolarHBondContact O-N 3.18Å |
| 38 | L | 91.9 | Very high | 88.6 | Confident | 114 Ų | 114 | 113.7 Ų | 113.7 | 60% | 0.597 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.3 | -47.6 | 179.3 | -68.4 | 173.8 | 0 | 0 | 0 | 111.8 | P34 A35 H40 M41 L42 | P34-L38 WeakPolarHBondContact O-CG 3.24Å; P34-L38 PolarHBondContact O-N 2.83Å; P34-L38 VanDerWaalsContact O-N 3.08Å; A35-L38 PolarHBondContact O-N 3.03Å; A35-L38 VanDerWaalsContact O-N 3.14Å; L38-H40 VanDerWaalsContact C-N 3.32Å; L38-H40 PolarHBondContact O-N 3.2Å; L38-M41 PolarHBondContact O-N 2.81Å; L38-M41 VanDerWaalsContact O-N 3.14Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 VanDerWaalsContact O-CG 3.23Å; L38-L42 WeakPolarHBondContact O-CG 3.25Å; L38-L42 PolarHBondContact O-N 3.36Å |
| 39 | E | 90.5 | Very high | 88.1 | Confident | 127 Ų | 127 | 111.3 Ų | 111.3 | 59% | 0.593 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.2 | -43.9 | 177.8 | -72.2 | 175.5 | -179.8 | 0 | 0 | 112.4 | A35 M41 L42 T43 | A35-E39 WeakPolarHBondContact O-CG 3.48Å; A35-E39 PolarHBondContact O-N 3.44Å; E39-M41 VanDerWaalsContact C-N 3.34Å; E39-M41 PolarHBondContact O-N 3.18Å; E39-L42 PolarHBondContact O-N 2.81Å; E39-T43 PolarHBondContact O-N 2.91Å; E39-T43 PolarHBondContact O-OG1 3.41Å |
| 40 | H | 87.4 | Confident | 87.9 | Confident | 93 Ų | 93 | 115.7 Ų | 115.7 | 43% | 0.431 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.5 | -28 | 178.2 | 172.5 | -101.6 | 0 | 0 | 0 | 113.1 | V36 I37 L38 T43 K44 | V36-H40 VanDerWaalsContact O-CB 3.25Å; V36-H40 WeakPolarHBondContact O-CB 3.47Å; V36-H40 PolarHBondContact O-N 3.18Å; I37-H40 PolarHBondContact O-N 3.1Å; L38-H40 VanDerWaalsContact C-N 3.32Å; L38-H40 PolarHBondContact O-N 3.2Å; H40-T43 PolarHBondContact O-OG1 3.39Å; H40-K44 WeakPolarHBondContact CE1-CE 3.45Å; H40-K44 PolarHBondContact CE1-NZ 3.34Å; H40-K44 WeakPolarHBondContact NE2-CE 3.44Å; H40-K44 PolarHBondContact NE2-NZ 3.5Å; H40-K44 WeakPolarHBondContact O-CG 3.12Å |
| 41 | M | 85 | Confident | 87.5 | Confident | 111 Ų | 111 | 115 Ų | 115 | 55% | 0.547 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -79.4 | -36.8 | 174.4 | -66.9 | -60.4 | 170.8 | 0 | 0 | 112.1 | I37 L38 E39 T43 K44 | I37-M41 HydrophobicContact CG2-CE 4.44Å; I37-M41 HydrophobicContact CG2-CG 4.3Å; I37-M41 WeakPolarHBondContact O-CB 3.31Å; I37-M41 WeakPolarHBondContact O-CG 3.44Å; I37-M41 PolarHBondContact O-N 3.18Å; L38-M41 PolarHBondContact O-N 2.81Å; L38-M41 VanDerWaalsContact O-N 3.14Å; E39-M41 VanDerWaalsContact C-N 3.34Å; E39-M41 PolarHBondContact O-N 3.18Å; M41-T43 PolarHBondContact O-N 3.01Å; M41-K44 PolarHBondContact O-N 2.85Å; M41-K44 VanDerWaalsContact O-N 3.12Å |
| 42 | L | 84.3 | Confident | 87.2 | Confident | 146 Ų | 146 | 108.7 Ų | 108.7 | 76% | 0.764 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.3 | -28.7 | 179.2 | -74.7 | 170.8 | 0 | 0 | 0 | 113.3 | L38 E39 K44 | L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 VanDerWaalsContact O-CG 3.23Å; L38-L42 WeakPolarHBondContact O-CG 3.25Å; L38-L42 PolarHBondContact O-N 3.36Å; E39-L42 PolarHBondContact O-N 2.81Å; L42-K44 VanDerWaalsContact C-N 3.3Å |
| 43 | T | 77.3 | Confident | 86.7 | Confident | 105 Ų | 105 | 108.8 Ų | 108.8 | 64% | 0.644 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -4.9 | 179.5 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | E39 H40 M41 | E39-T43 PolarHBondContact O-N 2.91Å; E39-T43 PolarHBondContact O-OG1 3.41Å; H40-T43 PolarHBondContact O-OG1 3.39Å; M41-T43 PolarHBondContact O-N 3.01Å |
| 44 | K | 78.8 | Confident | 86.4 | Confident | 119 Ų | 119 | 110.5 Ų | 110.5 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | trans | -104.4 | 114.8 | -176.9 | -68.8 | -176.1 | -177.9 | -163.3 | 0 | 111.9 | H40 M41 L42 | H40-K44 WeakPolarHBondContact CE1-CE 3.45Å; H40-K44 PolarHBondContact CE1-NZ 3.34Å; H40-K44 WeakPolarHBondContact NE2-CE 3.44Å; H40-K44 PolarHBondContact NE2-NZ 3.5Å; H40-K44 WeakPolarHBondContact O-CG 3.12Å; M41-K44 PolarHBondContact O-N 2.85Å; M41-K44 VanDerWaalsContact O-N 3.12Å; L42-K44 VanDerWaalsContact C-N 3.3Å | ||
| 45 | D | 80.1 | Confident | 85.9 | Confident | 98 Ų | 98 | 111.7 Ų | 111.7 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | trans | -81.9 | 127.3 | 166.2 | -54.5 | -55.1 | 0 | 0 | 0 | 109.4 | K47 K48 | D45-K47 PolarHBondContact O-N 3.23Å; D45-K48 HydrophobicContact CB-CB 4.09Å; D45-K48 HydrophobicContact CB-CD 4.3Å; D45-K48 HydrophobicContact CB-CG 4.43Å; D45-K48 PolarHBondContact O-N 3.39Å; D45-K48 WeakPolarHBondContact OD2-CD 3.47Å; D45-K48 WeakPolarHBondContact OD2-CE 3.4Å; D45-K48 IonicContact OD2-NZ 3.83Å; D45-K48 PolarHBondContact OD2-NZ 3.36Å | ||
| 46 | A | 77.6 | Confident | 85.3 | Confident | 116 Ų | 116 | 118.3 Ų | 118.3 | 96% | 0.959 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -22.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 47 | K | 82.3 | Confident | 84.9 | Confident | 133 Ų | 133 | 121.7 Ų | 121.7 | 58% | 0.578 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | 36.4 | -175.4 | 59.9 | -173.5 | 178.2 | -176.2 | 0 | 113.5 | D45 G51 P52 | D45-K47 PolarHBondContact O-N 3.23Å; K47-G51 WeakPolarHBondContact O-CA 3.47Å; K47-G51 PolarHBondContact O-N 3.35Å; K47-P52 HydrophobicContact CD-CB 4.04Å; K47-P52 HydrophobicContact CD-CG 4.32Å |
| 48 | K | 83.9 | Confident | 84.2 | Confident | 154 Ų | 154 | 123.3 Ų | 123.3 | 67% | 0.67 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -41.5 | -175.5 | -156 | 169.4 | -167.9 | 141.4 | 0 | 114.5 | D45 | D45-K48 HydrophobicContact CB-CB 4.09Å; D45-K48 HydrophobicContact CB-CD 4.3Å; D45-K48 HydrophobicContact CB-CG 4.43Å; D45-K48 PolarHBondContact O-N 3.39Å; D45-K48 WeakPolarHBondContact OD2-CD 3.47Å; D45-K48 WeakPolarHBondContact OD2-CE 3.4Å; D45-K48 IonicContact OD2-NZ 3.83Å; D45-K48 PolarHBondContact OD2-NZ 3.36Å |
| 49 | T | 85.3 | Confident | 83.9 | Confident | 133 Ų | 133 | 120.3 Ų | 120.3 | 82% | 0.816 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -48.7 | -168.5 | -47.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 50 | M | 87 | Confident | 83.6 | Confident | 171 Ų | 171 | 119.8 Ų | 119.8 | 84% | 0.842 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | -0.8 | -171.9 | -59.8 | -57.3 | -68.2 | 0 | 0 | 113.8 | ||
| 51 | G | 87.8 | Confident | 83.5 | Confident | 34 Ų | 34 | 121.9 Ų | 121.9 | 35% | 0.351 | 67% | 0.674 | S | S | . | * | trans | 67.1 | -173.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K47 | K47-G51 WeakPolarHBondContact O-CA 3.47Å; K47-G51 PolarHBondContact O-N 3.35Å | ||
| 52 | P | 88.8 | Confident | 83.4 | Confident | 48 Ų | 48 | 124.8 Ų | 124.8 | 31% | 0.312 | 68% | 0.684 | S | S | . | * | trans | -74.9 | 145.6 | 175 | 31.2 | -31.3 | 0 | 0 | 0 | 111.1 | K47 K54 V55 | K47-P52 HydrophobicContact CD-CB 4.04Å; K47-P52 HydrophobicContact CD-CG 4.32Å; P52-K54 VanDerWaalsContact C-N 3.28Å; P52-K54 PolarHBondContact O-N 3.26Å; P52-V55 HydrophobicContact CG-CG2 3.95Å | ||
| 53 | P | 84.6 | Confident | 83.3 | Confident | 147 Ų | 147 | 125.5 Ų | 125.5 | 96% | 0.955 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -66.1 | -29.4 | -177.6 | 25.6 | -34.3 | 0 | 0 | 0 | 113.3 | ||
| 54 | K | 86.8 | Confident | 83.7 | Confident | 185 Ų | 185 | 126.1 Ų | 126.1 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -131.9 | 116.6 | 169.9 | -165.6 | 172.2 | -175.9 | 178.5 | 0 | 107.7 | P52 E56 | P52-K54 VanDerWaalsContact C-N 3.28Å; P52-K54 PolarHBondContact O-N 3.26Å; K54-E56 PolarHBondContact O-N 3.33Å |
| 55 | V | 84.8 | Confident | 84 | Confident | 105 Ų | 105 | 126.8 Ų | 126.8 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 118.5 | 176.3 | 179 | 0 | 0 | 0 | 0 | 107.7 | P52 L57 | P52-V55 HydrophobicContact CG-CG2 3.95Å; V55-L57 PolarHBondContact O-N 3.29Å |
| 56 | E | 81.8 | Confident | 84.4 | Confident | 182 Ų | 182 | 130.8 Ų | 130.8 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 124.7 | 173.2 | -65.2 | -172.9 | -179.3 | 0 | 0 | 109.6 | K54 | K54-E56 PolarHBondContact O-N 3.33Š|
| 57 | L | 83.3 | Confident | 84.7 | Confident | 157 Ų | 157 | 130.6 Ų | 130.6 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 136.9 | 176.3 | -63.3 | 174.8 | 0 | 0 | 0 | 109.2 | V55 S59 | V55-L57 PolarHBondContact O-N 3.29Å; L57-S59 PolarHBondContact O-N 3.33Å |
| 58 | P | 79.2 | Confident | 84.8 | Confident | 111 Ų | 111 | 127.6 Ų | 127.6 | 72% | 0.721 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 131 | 176.7 | 26.5 | -32.9 | 0 | 0 | 0 | 110 | ||
| 59 | S | 85.4 | Confident | 84.7 | Confident | 51 Ų | 51 | 128.2 Ų | 128.2 | 36% | 0.357 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 137.6 | 172.1 | 168.1 | 0 | 0 | 0 | 0 | 110.1 | L57 D61 K62 | L57-S59 PolarHBondContact O-N 3.33Å; S59-D61 PolarHBondContact O-N 2.9Å; S59-D61 VanDerWaalsContact O-N 3.08Å; S59-K62 PolarHBondContact O-N 3.27Å |
| 60 | P | 84.6 | Confident | 84.7 | Confident | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -29.6 | 179.8 | -25.5 | 33.3 | 0 | 0 | 0 | 114.2 | K62 | P60-K62 VanDerWaalsContact C-N 3.28Å; P60-K62 PolarHBondContact O-N 2.95Å |
| 61 | D | 85.8 | Confident | 84.3 | Confident | 137 Ų | 137 | 125.3 Ų | 125.3 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -19.2 | 179.7 | -60.6 | -31.6 | 0 | 0 | 0 | 113.2 | S59 Y63 | S59-D61 PolarHBondContact O-N 2.9Å; S59-D61 VanDerWaalsContact O-N 3.08Å; D61-Y63 PolarHBondContact O-N 2.92Å |
| 62 | K | 81.7 | Confident | 83.9 | Confident | 172 Ų | 172 | 132.7 Ų | 132.7 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -101 | 46.5 | -177.5 | -62.7 | -178.6 | -176.3 | 176.2 | 0 | 111.5 | S59 P60 | S59-K62 PolarHBondContact O-N 3.27Å; P60-K62 VanDerWaalsContact C-N 3.28Å; P60-K62 PolarHBondContact O-N 2.95Å |
| 63 | Y | 82.6 | Confident | 83.2 | Confident | 160 Ų | 160 | 135.5 Ų | 135.5 | 63% | 0.627 | 70% | 0.695 | S | S | * | * | trans | -68.7 | 155.5 | 175.6 | 67.5 | -91.4 | 0 | 0 | 0 | 112.1 | D61 K65 | D61-Y63 PolarHBondContact O-N 2.92Å; Y63-K65 HydrophobicContact CD2-CG 4.38Å; Y63-K65 HydrophobicContact CE2-CG 3.95Å; Y63-K65 PolarHBondContact O-N 3.4Å | ||
| 64 | L | 84.8 | Confident | 82.7 | Confident | 118 Ų | 118 | 134.3 Ų | 134.3 | 62% | 0.618 | 69% | 0.687 | S | S | * | * | trans | -68.7 | 112.7 | -178.5 | -170.9 | 72.5 | 0 | 0 | 0 | 110.8 | S68 K69 | L64-S68 WeakPolarHBondContact CD1-OG 3.37Å; L64-K69 HydrophobicContact CD1-CD 4.11Å; L64-K69 HydrophobicContact CD1-CG 4.11Å | ||
| 65 | K | 86.1 | Confident | 82.1 | Confident | 134 Ų | 134 | 134 Ų | 134 | 58% | 0.583 | 69% | 0.689 | S | S | * | * | trans | -83.9 | 153.1 | 176.3 | -63.7 | -179 | -178.6 | 179.8 | 0 | 111.6 | Y63 H67 S68 | Y63-K65 HydrophobicContact CD2-CG 4.38Å; Y63-K65 HydrophobicContact CE2-CG 3.95Å; Y63-K65 PolarHBondContact O-N 3.4Å; K65-H67 PolarHBondContact O-N 3.26Å; K65-S68 VanDerWaalsContact O-CB 3.25Å; K65-S68 WeakPolarHBondContact O-CB 3.45Å; K65-S68 PolarHBondContact O-N 3.46Å; K65-S68 VanDerWaalsContact O-N 3.14Å; K65-S68 PolarHBondContact O-OG 3.37Å | ||
| 66 | K | 89 | Confident | 81 | Confident | 182 Ų | 182 | 139.6 Ų | 139.6 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 133.3 | 174.9 | -161.4 | -168.7 | -176.7 | -170.5 | 0 | 109.7 | S68 | K66-S68 PolarHBondContact O-N 2.95Š|
| 67 | H | 82.6 | Confident | 80 | Confident | 112 Ų | 112 | 135.7 Ų | 135.7 | 52% | 0.519 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 64.2 | 10.7 | -179 | -52.2 | -62.5 | 0 | 0 | 0 | 117.6 | K65 K69 H70 | K65-H67 PolarHBondContact O-N 3.26Å; H67-K69 PolarHBondContact O-N 3.08Å; H67-H70 AromaticContact ND1-CD2 3.78Å; H67-H70 AromaticContact ND1-NE2 3.74Å; H67-H70 PolarHBondContact O-N 3.03Å |
| 68 | S | 84.1 | Confident | 78.8 | Confident | 69 Ų | 69 | 137.8 Ų | 137.8 | 48% | 0.483 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.7 | -31.6 | -178.2 | 53.2 | 0 | 0 | 0 | 0 | 115.2 | L64 K65 K66 | L64-S68 WeakPolarHBondContact CD1-OG 3.37Å; K65-S68 VanDerWaalsContact O-CB 3.25Å; K65-S68 WeakPolarHBondContact O-CB 3.45Å; K65-S68 PolarHBondContact O-N 3.46Å; K65-S68 VanDerWaalsContact O-N 3.14Å; K65-S68 PolarHBondContact O-OG 3.37Å; K66-S68 PolarHBondContact O-N 2.95Å |
| 69 | K | 83.3 | Confident | 77.5 | Confident | 168 Ų | 168 | 136.2 Ų | 136.2 | 73% | 0.73 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -3 | 179.4 | -70.3 | 179.2 | 178.1 | 179.6 | 0 | 113.9 | L64 H67 | L64-K69 HydrophobicContact CD1-CD 4.11Å; L64-K69 HydrophobicContact CD1-CG 4.11Å; H67-K69 PolarHBondContact O-N 3.08Å |
| 70 | H | 84.1 | Confident | 76 | Confident | 123 Ų | 123 | 142.2 Ų | 142.2 | 57% | 0.569 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -73.6 | 127.8 | 178.7 | -73.3 | -101.8 | 0 | 0 | 0 | 108.5 | H67 K72 | H67-H70 AromaticContact ND1-CD2 3.78Å; H67-H70 AromaticContact ND1-NE2 3.74Å; H67-H70 PolarHBondContact O-N 3.03Å; H70-K72 PolarHBondContact O-N 2.72Å |
| 71 | P | 79.8 | Confident | 74.5 | Confident | 120 Ų | 120 | 144.5 Ų | 144.5 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | trans | -60.5 | 114.4 | 174 | 24.8 | -31.5 | 0 | 0 | 0 | 107.7 | P73 | P71-P73 WeakPolarHBondContact O-CD 3.46Š| ||
| 72 | K | 78.1 | Confident | 72.9 | Confident | 188 Ų | 188 | 141.1 Ų | 141.1 | 82% | 0.817 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 122.3 | 172.3 | -70.1 | -178.3 | -178.8 | -179.8 | 0 | 106.8 | H70 | H70-K72 PolarHBondContact O-N 2.72Š|
| 73 | P | 74.7 | Confident | 71.3 | Confident | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 146.6 | 170.8 | 25.4 | -31.5 | 0 | 0 | 0 | 108.5 | P71 E75 | P71-P73 WeakPolarHBondContact O-CD 3.46Å; P73-E75 PolarHBondContact O-N 3.14Å |
| 74 | P | 75.3 | Confident | 70.1 | Confident | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 130.1 | 172.9 | 24 | -32.4 | 0 | 0 | 0 | 108.6 | R76 | P74-R76 PolarHBondContact O-N 3.23Š|
| 75 | E | 72.9 | Confident | 68.5 | Low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 125.3 | 174 | -159.7 | 161.6 | -154.7 | 0 | 0 | 107.1 | P73 T77 | P73-E75 PolarHBondContact O-N 3.14Å; E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 3.38Å |
| 76 | R | 62 | Low | 67.1 | Low | 221 Ų | 221 | 148.4 Ų | 148.4 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -70.8 | 91.4 | 179.5 | -68.7 | -177.7 | -176.8 | 177.3 | 1 | 107.2 | P74 E78 | P74-R76 PolarHBondContact O-N 3.23Å; R76-E78 PolarHBondContact O-N 3.31Å | ||
| 77 | T | 60.1 | Low | 65.5 | Low | 101 Ų | 101 | 145.3 Ų | 145.3 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | trans | -67.1 | 123 | 161.2 | 50 | 0 | 0 | 0 | 0 | 106.4 | E75 S79 | E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 3.38Å; T77-S79 WeakPolarHBondContact CB-OG 3.35Å; T77-S79 PolarHBondContact O-N 3.37Å; T77-S79 PolarHBondContact OG1-OG 2.78Å | ||
| 78 | E | 59.1 | Low | 64.3 | Low | 201 Ų | 201 | 145.4 Ų | 145.4 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | trans | -69.3 | 54.1 | 161.1 | -62.3 | -179.1 | -180 | 0 | 0 | 108.2 | R76 | R76-E78 PolarHBondContact O-N 3.31Š| ||
| 79 | S | 50.7 | Low | 63.2 | Low | 77 Ų | 77 | 147 Ų | 147 | 54% | 0.538 | 77% | 0.772 | S | S | . | * | trans | -97.8 | 113 | 167.3 | 52.4 | 0 | 0 | 0 | 0 | 105 | T77 | T77-S79 WeakPolarHBondContact CB-OG 3.35Å; T77-S79 PolarHBondContact O-N 3.37Å; T77-S79 PolarHBondContact OG1-OG 2.78Å | ||
| 80 | E | 55.6 | Low | 62.4 | Low | 178 Ų | 178 | 145 Ų | 145 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -42.9 | 141.9 | 170.5 | -59.5 | -179.6 | 150 | 0 | 0 | 110 | ||
| 81 | D | 52.4 | Low | 61.5 | Low | 165 Ų | 165 | 149.7 Ų | 149.7 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 78.8 | 86.8 | 176 | -52.1 | -32.6 | 0 | 0 | 0 | 117.5 | ||
| 82 | G | 52.3 | Low | 61.2 | Low | 66 Ų | 66 | 152.9 Ų | 152.9 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 173.9 | 1.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | K84 | G82-K84 VanDerWaalsContact C-N 3.33Å; G82-K84 PolarHBondContact O-N 3.02Å | ||
| 83 | H | 48.2 | Very low | 61.1 | Low | 167 Ų | 167 | 149.6 Ų | 149.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -82.2 | 77.5 | 173.8 | -74.1 | 14.3 | 0 | 0 | 0 | 111.1 | ||||
| 84 | K | 57.7 | Low | 61.3 | Low | 209 Ų | 209 | 149 Ų | 149 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -101.7 | 62 | 164.1 | -69.5 | -177.1 | -174.9 | 175.3 | 0 | 110.4 | G82 | G82-K84 VanDerWaalsContact C-N 3.33Å; G82-K84 PolarHBondContact O-N 3.02Å | ||
| 85 | T | 51.4 | Low | 61.6 | Low | 117 Ų | 117 | 149.5 Ų | 149.5 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | -80.8 | 127.5 | 151.9 | 38.8 | 0 | 0 | 0 | 0 | 107.5 | T87 | T85-T87 PolarHBondContact O-N 2.93Š| ||
| 86 | R | 56.5 | Low | 62.2 | Low | 244 Ų | 244 | 145.6 Ų | 145.6 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -47.5 | 99.6 | -176.3 | -61.5 | 169.1 | 77.8 | -179 | 5.5 | 109.9 | C88 | R86-C88 PolarHBondContact O-N 2.82Š| ||
| 87 | T | 54.7 | Low | 63.3 | Low | 116 Ų | 116 | 144.8 Ų | 144.8 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | trans | -68.1 | 121 | 169.4 | 47 | 0 | 0 | 0 | 0 | 106.3 | T85 A89 | T85-T87 PolarHBondContact O-N 2.93Å; T87-A89 PolarHBondContact O-N 2.95Å | ||
| 88 | C | 58.1 | Low | 64.3 | Low | 114 Ų | 114 | 152.5 Ų | 152.5 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -54.9 | 108.8 | 169.3 | -60.1 | 0 | 0 | 0 | 0 | 107 | R86 V90 | R86-C88 PolarHBondContact O-N 2.82Å; C88-V90 PolarHBondContact O-N 3.45Å | ||
| 89 | A | 61 | Low | 65.4 | Low | 103 Ų | 103 | 149 Ų | 149 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -65.4 | -5.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114 | T87 | T87-A89 PolarHBondContact O-N 2.95Š|
| 90 | V | 65.5 | Low | 66.9 | Low | 125 Ų | 125 | 151.4 Ų | 151.4 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | -106.8 | 87 | 176.6 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | C88 K92 | C88-V90 PolarHBondContact O-N 3.45Å; V90-K92 PolarHBondContact O-N 3.41Å | ||
| 91 | R | 66.5 | Low | 68 | Low | 223 Ų | 223 | 152.2 Ų | 152.2 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -71.5 | 113.3 | 162.6 | -69.9 | -176.2 | 177.9 | -177.3 | -0.2 | 107 | ||||
| 92 | K | 72.8 | Confident | 69.2 | Low | 187 Ų | 187 | 149 Ų | 149 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 143.1 | 166.3 | -67.6 | 179.5 | 179.2 | 179.6 | 0 | 108.1 | V90 | V90-K92 PolarHBondContact O-N 3.41Š|
| 93 | P | 75.1 | Confident | 70.2 | Confident | 119 Ų | 119 | 153.1 Ų | 153.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57 | 149.1 | 176.8 | 25.4 | -34 | 0 | 0 | 0 | 110.1 | ||
| 94 | A | 79.4 | Confident | 71.4 | Confident | 96 Ų | 96 | 152.9 Ų | 152.9 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 142.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 95 | V | 82.1 | Confident | 72 | Confident | 131 Ų | 131 | 145.6 Ų | 145.6 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 133.3 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 96 | P | 85.7 | Confident | 72.7 | Confident | 97 Ų | 97 | 146.4 Ų | 146.4 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 140.9 | 176.6 | -28.1 | 35.5 | 0 | 0 | 0 | 111.9 | E100 | P96-E100 WeakPolarHBondContact CA-OE2 3.15Š|
| 97 | R | 84.1 | Confident | 73.1 | Confident | 205 Ų | 205 | 142.9 Ų | 142.9 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 152 | -178.2 | -68 | -176.6 | 176 | -169.7 | -0.6 | 110.2 | T99 E100 | R97-T99 PolarHBondContact O-N 2.95Å; R97-E100 PolarHBondContact N-OE2 3.49Å; R97-E100 VanDerWaalsContact O-CB 3.28Å; R97-E100 WeakPolarHBondContact O-CB 3.27Å; R97-E100 PolarHBondContact O-N 3.15Å |
| 98 | R | 80.4 | Confident | 73.6 | Confident | 263 Ų | 263 | 142.2 Ų | 142.2 | 99% | 0.992 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -25 | 178 | -165 | 177.7 | 113.8 | 116.7 | -0.4 | 113.7 | ||
| 99 | T | 83.4 | Confident | 74.2 | Confident | 128 Ų | 128 | 146.7 Ų | 146.7 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -14 | 179.4 | -22.6 | 0 | 0 | 0 | 0 | 113.4 | R97 K101 | R97-T99 PolarHBondContact O-N 2.95Å; T99-K101 PolarHBondContact O-N 3.23Å |
| 100 | E | 82.4 | Confident | 74.6 | Confident | 127 Ų | 127 | 149 Ų | 149 | 59% | 0.593 | 75% | 0.751 | S | S | * | * | trans | -83.9 | 108.3 | -175.7 | -162.3 | 174.1 | -172.6 | 0 | 0 | 109.5 | P96 R97 | P96-E100 WeakPolarHBondContact CA-OE2 3.15Å; R97-E100 PolarHBondContact N-OE2 3.49Å; R97-E100 VanDerWaalsContact O-CB 3.28Å; R97-E100 WeakPolarHBondContact O-CB 3.27Å; R97-E100 PolarHBondContact O-N 3.15Å | ||
| 101 | K | 78.9 | Confident | 74.6 | Confident | 195 Ų | 195 | 147.6 Ų | 147.6 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | trans | -83.2 | 120.8 | 177.3 | -64 | 174 | -176 | 178 | 0 | 108.1 | T99 | T99-K101 PolarHBondContact O-N 3.23Š| ||
| 102 | P | 76.2 | Confident | 74.5 | Confident | 96 Ų | 96 | 144.8 Ų | 144.8 | 62% | 0.623 | 73% | 0.734 | S | S | * | * | trans | -61.8 | 151 | 176.5 | 27.1 | -33.9 | 0 | 0 | 0 | 109.9 | M104 | P102-M104 HydrophobicContact CG-CG 4.47Å; P102-M104 PolarHBondContact O-N 2.95Å | ||
| 103 | L | 75 | Confident | 74.1 | Confident | 153 Ų | 153 | 143.4 Ų | 143.4 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | trans | -57 | 100.1 | 172 | -87.7 | 147.5 | 0 | 0 | 0 | 109.3 | ||||
| 104 | M | 73.1 | Confident | 73.3 | Confident | 163 Ų | 163 | 144.2 Ų | 144.2 | 80% | 0.803 | 73% | 0.728 | S | S | * | * | trans | -93.4 | 131.9 | 177.8 | -73 | -78.2 | 70.1 | 0 | 0 | 110.8 | P102 | P102-M104 HydrophobicContact CG-CG 4.47Å; P102-M104 PolarHBondContact O-N 2.95Å | ||
| 105 | G | 69.4 | Low | 72.1 | Confident | 55 Ų | 55 | 142.1 Ų | 142.1 | 57% | 0.567 | 71% | 0.705 | S | S | * | * | trans | 92.7 | 34.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q107 | G105-Q107 PolarHBondContact O-N 3.3Š| ||
| 106 | I | 65.5 | Low | 70.9 | Confident | 135 Ų | 135 | 141.1 Ų | 141.1 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | trans | -71.2 | 76.5 | 161.6 | -51.4 | 174.4 | 0 | 0 | 0 | 108 | T108 | I106-T108 PolarHBondContact O-N 3.08Š| ||
| 107 | Q | 66 | Low | 69.3 | Low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | trans | -74.9 | 103.7 | 172.5 | -63.6 | -67.4 | -2.7 | 0 | 0 | 107.4 | G105 K109 | G105-Q107 PolarHBondContact O-N 3.3Å; Q107-K109 PolarHBondContact O-N 3.07Å | ||
| 108 | T | 65.6 | Low | 68.2 | Low | 101 Ų | 101 | 139.9 Ų | 139.9 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | trans | -72.3 | 121.3 | 175.5 | -4.7 | 0 | 0 | 0 | 0 | 107.9 | I106 R110 | I106-T108 PolarHBondContact O-N 3.08Å; T108-R110 HydrophobicContact CG2-CB 4.49Å; T108-R110 PolarHBondContact O-N 3.33Å | ||
| 109 | K | 70.6 | Confident | 67.4 | Low | 208 Ų | 208 | 136.2 Ų | 136.2 | 90% | 0.904 | 70% | 0.696 | S | S | * | * | trans | -70.9 | 32.5 | 171.1 | -63.2 | -177.1 | -179.9 | -179.8 | 0 | 112.3 | Q107 N111 | Q107-K109 PolarHBondContact O-N 3.07Å; K109-N111 PolarHBondContact O-N 3.19Å | ||
| 110 | R | 68.1 | Low | 66.6 | Low | 151 Ų | 151 | 135.7 Ų | 135.7 | 57% | 0.57 | 69% | 0.694 | S | S | * | * | trans | -84.9 | 118 | -176 | -167.4 | 173.7 | -174.4 | 148.2 | 3.7 | 108.2 | T108 F112 T115 | T108-R110 HydrophobicContact CG2-CB 4.49Å; T108-R110 PolarHBondContact O-N 3.33Å; R110-F112 PolarHBondContact O-N 3.45Å; R110-T115 PolarHBondContact NE-OG1 2.92Å; R110-T115 VanDerWaalsContact NE-OG1 3.13Å; R110-T115 VanDerWaalsContact NH2-CG2 3.3Å | ||
| 111 | N | 66.7 | Low | 66.1 | Low | 97 Ų | 97 | 138.3 Ų | 138.3 | 52% | 0.519 | 71% | 0.709 | S | S | . | * | trans | -66.1 | 104.6 | 171.9 | -68.9 | -35.4 | 0 | 0 | 0 | 109.3 | K109 L113 Q114 T115 | K109-N111 PolarHBondContact O-N 3.19Å; N111-L113 PolarHBondContact O-N 3.2Å; N111-Q114 HydrophobicContact CB-CB 4.05Å; N111-Q114 HydrophobicContact CB-CG 4.1Å; N111-Q114 PolarHBondContact ND2-OE1 2.94Å; N111-Q114 PolarHBondContact O-N 3.4Å; N111-Q114 VanDerWaalsContact O-N 3.13Å; N111-T115 PolarHBondContact O-N 3.01Å; N111-T115 PolarHBondContact O-OG1 3.12Å | ||
| 112 | F | 63.3 | Low | 66 | Low | 163 Ų | 163 | 138.5 Ų | 138.5 | 72% | 0.715 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -21.4 | 177.9 | -62 | -76 | 0 | 0 | 0 | 113 | R110 | R110-F112 PolarHBondContact O-N 3.45Š|
| 113 | L | 65.6 | Low | 66.2 | Low | 158 Ų | 158 | 139.7 Ų | 139.7 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -20.7 | 177.6 | -59.8 | 175.5 | 0 | 0 | 0 | 114 | N111 T116 | N111-L113 PolarHBondContact O-N 3.2Å; L113-T116 PolarHBondContact O-OG1 3.24Å |
| 114 | Q | 58.4 | Low | 66.5 | Low | 136 Ų | 136 | 140.4 Ų | 140.4 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -16.2 | -178 | -73.1 | -179.7 | -23.3 | 0 | 0 | 113.4 | N111 T116 | N111-Q114 HydrophobicContact CB-CB 4.05Å; N111-Q114 HydrophobicContact CB-CG 4.1Å; N111-Q114 PolarHBondContact ND2-OE1 2.94Å; N111-Q114 PolarHBondContact O-N 3.4Å; N111-Q114 VanDerWaalsContact O-N 3.13Å; Q114-T116 PolarHBondContact O-N 3.15Å |
| 115 | T | 53.9 | Low | 67 | Low | 53 Ų | 53 | 135.4 Ų | 135.4 | 33% | 0.325 | 70% | 0.699 | S | S | . | * | G | 310 helix | trans | -74.5 | -11.4 | -179.1 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | R110 N111 V117 M118 | R110-T115 PolarHBondContact NE-OG1 2.92Å; R110-T115 VanDerWaalsContact NE-OG1 3.13Å; R110-T115 VanDerWaalsContact NH2-CG2 3.3Å; N111-T115 PolarHBondContact O-N 3.01Å; N111-T115 PolarHBondContact O-OG1 3.12Å; T115-V117 VanDerWaalsContact C-N 3.31Å; T115-V117 PolarHBondContact O-N 3.27Å; T115-M118 PolarHBondContact O-N 3.43Å |
| 116 | T | 55.5 | Low | 67.8 | Low | 109 Ų | 109 | 137 Ų | 137 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -78.8 | -4.9 | -179.3 | 41.3 | 0 | 0 | 0 | 0 | 114.7 | L113 Q114 M118 | L113-T116 PolarHBondContact O-OG1 3.24Å; Q114-T116 PolarHBondContact O-N 3.15Å; T116-M118 PolarHBondContact O-N 2.88Å |
| 117 | V | 53.6 | Low | 68.7 | Low | 122 Ų | 122 | 132.1 Ų | 132.1 | 74% | 0.739 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -79.2 | 5.5 | 171.2 | -153.6 | 0 | 0 | 0 | 0 | 111.9 | T115 F119 | T115-V117 VanDerWaalsContact C-N 3.31Å; T115-V117 PolarHBondContact O-N 3.27Å; V117-F119 PolarHBondContact O-N 3.47Å; V117-F119 VanDerWaalsContact O-N 3.08Å |
| 118 | M | 59.6 | Low | 69.7 | Low | 154 Ų | 154 | 127.9 Ų | 127.9 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -72.4 | 103.7 | 165.8 | -149.3 | 165 | 67.5 | 0 | 0 | 107 | T115 T116 | T115-M118 PolarHBondContact O-N 3.43Å; T116-M118 PolarHBondContact O-N 2.88Å |
| 119 | F | 64.1 | Low | 70.4 | Confident | 187 Ų | 187 | 130.8 Ų | 130.8 | 82% | 0.82 | 67% | 0.669 | S | S | * | * | trans | -37.4 | 123.4 | 177.5 | -89.6 | -96.3 | 0 | 0 | 0 | 110.1 | V117 M121 | V117-F119 PolarHBondContact O-N 3.47Å; V117-F119 VanDerWaalsContact O-N 3.08Å; F119-M121 PolarHBondContact O-N 3.23Å | ||
| 120 | P | 67.3 | Low | 71.1 | Confident | 116 Ų | 116 | 123.9 Ų | 123.9 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | trans | -58.1 | 111.7 | 179.9 | 22.7 | -31.8 | 0 | 0 | 0 | 108.1 | K122 | P120-K122 PolarHBondContact O-N 3.38Å; P120-K122 VanDerWaalsContact O-N 3.12Å | ||
| 121 | M | 71.8 | Confident | 72 | Confident | 183 Ų | 183 | 126.3 Ų | 126.3 | 90% | 0.901 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 118.5 | 174.7 | -75.7 | -165.7 | 138.5 | 0 | 0 | 107.5 | F119 | F119-M121 PolarHBondContact O-N 3.23Š|
| 122 | K | 76.8 | Confident | 72.9 | Confident | 198 Ų | 198 | 128.3 Ų | 128.3 | 86% | 0.861 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 123.7 | 176.5 | -65.7 | -177.2 | -178.4 | 179.8 | 0 | 108 | P120 | P120-K122 PolarHBondContact O-N 3.38Å; P120-K122 VanDerWaalsContact O-N 3.12Å |
| 123 | P | 79.6 | Confident | 73.9 | Confident | 122 Ų | 122 | 122.1 Ų | 122.1 | 79% | 0.792 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -62 | 144.3 | 177.3 | 25.8 | -33.1 | 0 | 0 | 0 | 109.5 | A125 | P123-A125 PolarHBondContact O-N 3.42Š|
| 124 | K | 82 | Confident | 74.9 | Confident | 167 Ų | 167 | 119.7 Ų | 119.7 | 73% | 0.726 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -62 | 136.1 | 174.6 | -66.5 | -178.9 | -179.9 | -179.9 | 0 | 109 | I126 | K124-I126 WeakPolarHBondContact O-CG1 3.42Å; K124-I126 PolarHBondContact O-N 3.3Å |
| 125 | A | 83.8 | Confident | 76.2 | Confident | 59 Ų | 59 | 121 Ų | 121 | 49% | 0.488 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -66 | 118 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | P123 L138 | P123-A125 PolarHBondContact O-N 3.42Å; A125-L138 HydrophobicContact CB-CB 3.99Å; A125-L138 HydrophobicContact CB-CD2 3.9Å; A125-L138 WeakPolarHBondContact O-CB 3.47Å; A125-L138 PolarHBondContact O-N 3.03Å |
| 126 | I | 85.8 | Confident | 77.7 | Confident | 87 Ų | 87 | 123.4 Ų | 123.4 | 45% | 0.446 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.3 | 133 | -175.6 | -67.1 | 165.4 | 0 | 0 | 0 | 107.3 | K124 V128 K135 Q136 | K124-I126 WeakPolarHBondContact O-CG1 3.42Å; K124-I126 PolarHBondContact O-N 3.3Å; I126-V128 HydrophobicContact CG2-CG2 4.27Å; I126-K135 HydrophobicContact CG2-CB 3.56Å; I126-K135 HydrophobicContact CG2-CD 4.34Å; I126-K135 HydrophobicContact CG2-CG 3.78Å; I126-Q136 CarbonylContact C-O 3.54Å; I126-Q136 WeakPolarHBondContact CA-O 3.25Å; I126-Q136 WeakPolarHBondContact CG2-O 3.23Å |
| 127 | S | 84.5 | Confident | 79.2 | Confident | 34 Ų | 34 | 121.3 Ų | 121.3 | 24% | 0.238 | 63% | 0.627 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 138.5 | 169.8 | 60.2 | 0 | 0 | 0 | 0 | 109.9 | Q136 | S127-Q136 PolarHBondContact N-O 3.37Å; S127-Q136 PolarHBondContact O-N 2.87Å; S127-Q136 PolarHBondContact OG-O 3.35Å |
| 128 | V | 86.7 | Confident | 80.7 | Confident | 80 Ų | 80 | 117.8 Ų | 117.8 | 49% | 0.485 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.8 | 112.8 | 173.6 | -178 | 0 | 0 | 0 | 0 | 106.9 | I126 K135 | I126-V128 HydrophobicContact CG2-CG2 4.27Å; V128-K135 HydrophobicContact CG2-CG 3.69Å |
| 129 | D | 81.6 | Confident | 81.8 | Confident | 162 Ų | 162 | 115.8 Ų | 115.8 | 87% | 0.866 | 59% | 0.593 | S | S | * | * | trans | -105.7 | -30.4 | -177.2 | -170.3 | 32.4 | 0 | 0 | 0 | 111.6 | ||||
| 130 | T | 85.4 | Confident | 82.5 | Confident | 63 Ų | 63 | 112.2 Ų | 112.2 | 39% | 0.387 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -89.9 | 143 | -174.6 | -22.4 | 0 | 0 | 0 | 0 | 112.4 | E132 G133 | T130-E132 PolarHBondContact O-N 3.03Å; T130-G133 PolarHBondContact O-N 3.06Å |
| 131 | K | 85.6 | Confident | 83.1 | Confident | 203 Ų | 203 | 108.1 Ų | 108.1 | 88% | 0.883 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -25 | 172.6 | 68.8 | 178.6 | -177.9 | 178.9 | 0 | 114.2 | G133 | K131-G133 VanDerWaalsContact C-N 3.26Š|
| 132 | E | 85.3 | Confident | 83.6 | Confident | 138 Ų | 138 | 102.7 Ų | 102.7 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -6.4 | 178.2 | -64.1 | 177.1 | -179.4 | 0 | 0 | 113 | T130 H134 | T130-E132 PolarHBondContact O-N 3.03Å; E132-H134 IonicContact OE2-CD2 2.93Å; E132-H134 IonicContact OE2-CE1 3.73Å; E132-H134 IonicContact OE2-NE2 3.75Å; E132-H134 PolarHBondContact OE2-NE2 3.13Å |
| 133 | G | 85.4 | Confident | 83.8 | Confident | 34 Ų | 34 | 99.4 Ų | 99.4 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | trans | 82.7 | 25.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T130 K131 K135 | T130-G133 PolarHBondContact O-N 3.06Å; K131-G133 VanDerWaalsContact C-N 3.26Å; G133-K135 PolarHBondContact O-N 3.47Å | ||
| 134 | H | 86.3 | Confident | 84.1 | Confident | 107 Ų | 107 | 96.4 Ų | 96.4 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | trans | -62.1 | 120.8 | 174.8 | -65.9 | -60.8 | 0 | 0 | 0 | 110.5 | E132 | E132-H134 IonicContact OE2-CD2 2.93Å; E132-H134 IonicContact OE2-CE1 3.73Å; E132-H134 IonicContact OE2-NE2 3.75Å; E132-H134 PolarHBondContact OE2-NE2 3.13Å | ||
| 135 | K | 86.4 | Confident | 84.2 | Confident | 164 Ų | 164 | 92 Ų | 92 | 71% | 0.713 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 115.3 | -174.4 | -74.4 | 177.1 | -172.1 | -174.2 | 0 | 110.2 | I126 V128 G133 | I126-K135 HydrophobicContact CG2-CB 3.56Å; I126-K135 HydrophobicContact CG2-CD 4.34Å; I126-K135 HydrophobicContact CG2-CG 3.78Å; V128-K135 HydrophobicContact CG2-CG 3.69Å; G133-K135 PolarHBondContact O-N 3.47Å |
| 136 | Q | 84.5 | Confident | 84.3 | Confident | 102 Ų | 102 | 93.4 Ų | 93.4 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.8 | 171.9 | -175.7 | 167.8 | -16.5 | 0 | 0 | 110.2 | I126 S127 L138 | I126-Q136 CarbonylContact C-O 3.54Å; I126-Q136 WeakPolarHBondContact CA-O 3.25Å; I126-Q136 WeakPolarHBondContact CG2-O 3.23Å; S127-Q136 PolarHBondContact N-O 3.37Å; S127-Q136 PolarHBondContact O-N 2.87Å; S127-Q136 PolarHBondContact OG-O 3.35Å; Q136-L138 PolarHBondContact O-N 2.95Å |
| 137 | L | 87.5 | Confident | 84.2 | Confident | 65 Ų | 65 | 96.9 Ų | 96.9 | 34% | 0.34 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 128.8 | 177.4 | -155.2 | 164.9 | 0 | 0 | 0 | 109.1 | E139 N140 | L137-E139 VanDerWaalsContact C-N 3.25Å; L137-E139 HydrophobicContact CD2-CB 3.73Å; L137-E139 HydrophobicContact CD2-CG 3.64Å; L137-E139 PolarHBondContact O-N 3.39Å; L137-N140 PolarHBondContact O-N 2.96Å; L137-N140 VanDerWaalsContact O-N 3.1Å |
| 138 | L | 84.9 | Confident | 84.4 | Confident | 49 Ų | 49 | 99.5 Ų | 99.5 | 26% | 0.257 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -60 | -32.2 | -171.1 | -166.3 | 69.1 | 0 | 0 | 0 | 113 | A125 Q136 N140 S141 L143 V144 | A125-L138 HydrophobicContact CB-CB 3.99Å; A125-L138 HydrophobicContact CB-CD2 3.9Å; A125-L138 WeakPolarHBondContact O-CB 3.47Å; A125-L138 PolarHBondContact O-N 3.03Å; Q136-L138 PolarHBondContact O-N 2.95Å; L138-N140 PolarHBondContact O-N 3.48Å; L138-S141 PolarHBondContact O-N 3.29Å; L138-S141 PolarHBondContact O-OG 2.98Å; L138-L143 HydrophobicContact CD1-CB 4.16Å; L138-L143 HydrophobicContact CD1-CD1 3.88Å; L138-V144 HydrophobicContact CD2-CG2 3.88Å; L138-V144 HydrophobicContact CG-CG2 3.75Å |
| 139 | E | 81.8 | Confident | 84.4 | Confident | 112 Ų | 112 | 103.1 Ų | 103.1 | 52% | 0.523 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -59.8 | -29.3 | 177.9 | -62.3 | -172.9 | -164.9 | 0 | 0 | 114.3 | L137 K146 | L137-E139 VanDerWaalsContact C-N 3.25Å; L137-E139 HydrophobicContact CD2-CB 3.73Å; L137-E139 HydrophobicContact CD2-CG 3.64Å; L137-E139 PolarHBondContact O-N 3.39Å; E139-K146 IonicContact OE2-NZ 2.88Å; E139-K146 PolarHBondContact OE2-NZ 3.08Å |
| 140 | N | 80.4 | Confident | 84.9 | Confident | 112 Ų | 112 | 101 Ų | 101 | 60% | 0.599 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -101.1 | -2 | -177.1 | -62.5 | -19.9 | 0 | 0 | 0 | 112.3 | L137 L138 G142 | L137-N140 PolarHBondContact O-N 2.96Å; L137-N140 VanDerWaalsContact O-N 3.1Å; L138-N140 PolarHBondContact O-N 3.48Å; N140-G142 VanDerWaalsContact C-N 3.27Å; N140-G142 PolarHBondContact O-N 3.47Å |
| 141 | S | 79.6 | Confident | 85.1 | Confident | 30 Ų | 30 | 107.3 Ų | 107.3 | 21% | 0.21 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -79.1 | -6.6 | -177.5 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | L138 L143 | L138-S141 PolarHBondContact O-N 3.29Å; L138-S141 PolarHBondContact O-OG 2.98Å; S141-L143 PolarHBondContact O-N 3.38Å; S141-L143 WeakPolarHBondContact OG-CB 3.48Å; S141-L143 PolarHBondContact OG-N 3.36Å |
| 142 | G | 81.2 | Confident | 85.4 | Confident | 68 Ų | 68 | 103.1 Ų | 103.1 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 74.6 | -9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N140 V144 | N140-G142 VanDerWaalsContact C-N 3.27Å; N140-G142 PolarHBondContact O-N 3.47Å; G142-V144 PolarHBondContact O-N 3.37Å |
| 143 | L | 82.2 | Confident | 85.7 | Confident | 129 Ų | 129 | 103.7 Ų | 103.7 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -72.8 | -17.2 | 176.1 | -62.1 | 174.3 | 0 | 0 | 0 | 113.1 | L138 S141 | L138-L143 HydrophobicContact CD1-CB 4.16Å; L138-L143 HydrophobicContact CD1-CD1 3.88Å; S141-L143 PolarHBondContact O-N 3.38Å; S141-L143 WeakPolarHBondContact OG-CB 3.48Å; S141-L143 PolarHBondContact OG-N 3.36Å |
| 144 | V | 84.9 | Confident | 85.9 | Confident | 60 Ų | 60 | 105.7 Ų | 105.7 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -111.3 | 123.4 | 177.6 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | L138 G142 K146 | L138-V144 HydrophobicContact CD2-CG2 3.88Å; L138-V144 HydrophobicContact CG-CG2 3.75Å; G142-V144 PolarHBondContact O-N 3.37Å; V144-K146 VanDerWaalsContact C-N 3.29Å; V144-K146 PolarHBondContact O-N 2.93Å |
| 145 | P | 85.3 | Confident | 86.3 | Confident | 73 Ų | 73 | 107 Ų | 107 | 47% | 0.474 | 55% | 0.554 | S | S | . | * | trans | -71.9 | 80.9 | 179.9 | 28.5 | -34 | 0 | 0 | 0 | 111.5 | V148 | P145-V148 HydrophobicContact CB-CB 4.41Å; P145-V148 HydrophobicContact CB-CG2 4.43Å | ||
| 146 | K | 84.3 | Confident | 86.7 | Confident | 90 Ų | 90 | 103.3 Ų | 103.3 | 39% | 0.391 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -39.9 | -177.4 | -176.4 | 172.1 | -176.9 | 159.6 | 0 | 113.6 | E139 V144 | E139-K146 IonicContact OE2-NZ 2.88Å; E139-K146 PolarHBondContact OE2-NZ 3.08Å; V144-K146 VanDerWaalsContact C-N 3.29Å; V144-K146 PolarHBondContact O-N 2.93Å |
| 147 | Y | 85.3 | Confident | 87.2 | Confident | 159 Ų | 159 | 101.4 Ų | 101.4 | 62% | 0.624 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -25.2 | -172.6 | -63.4 | -74 | 0 | 0 | 0 | 113.6 | K150 Y153 | Y147-K150 HydrophobicContact CD1-CD 4.27Å; Y147-K150 WeakPolarHBondContact O-CB 3.43Å; Y147-K150 PolarHBondContact O-N 3.4Å; Y147-Y153 VanDerWaalsContact O-CD2 3.27Å; Y147-Y153 WeakPolarHBondContact O-CD2 3.29Å |
| 148 | V | 87.9 | Confident | 87.6 | Confident | 89 Ų | 89 | 105 Ų | 105 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -34.5 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 111 | P145 K150 | P145-V148 HydrophobicContact CB-CB 4.41Å; P145-V148 HydrophobicContact CB-CG2 4.43Å; V148-K150 PolarHBondContact O-N 3.45Å |
| 149 | M | 86.9 | Confident | 88.1 | Confident | 156 Ų | 156 | 110.1 Ų | 110.1 | 77% | 0.768 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 15.4 | 178.3 | -62.4 | -170 | 166.3 | 0 | 0 | 113.5 | ||
| 150 | K | 91.5 | Very high | 88.8 | Confident | 117 Ų | 117 | 108 Ų | 108 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | trans | -67.8 | 142.9 | 172.6 | -82.4 | -176.4 | 163.5 | -168 | 0 | 109.7 | Y147 V148 D152 Y153 | Y147-K150 HydrophobicContact CD1-CD 4.27Å; Y147-K150 WeakPolarHBondContact O-CB 3.43Å; Y147-K150 PolarHBondContact O-N 3.4Å; V148-K150 PolarHBondContact O-N 3.45Å; K150-D152 VanDerWaalsContact C-N 3.26Å; K150-D152 PolarHBondContact O-N 3.14Å; K150-Y153 VanDerWaalsContact O-CB 3.24Å; K150-Y153 WeakPolarHBondContact O-CB 3.31Å; K150-Y153 PolarHBondContact O-N 2.96Å | ||
| 151 | K | 90.7 | Very high | 89.5 | Confident | 197 Ų | 197 | 106.7 Ų | 106.7 | 86% | 0.857 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -40.6 | 178.1 | -64.1 | -176.1 | 178.3 | -175.3 | 0 | 111.7 | Y153 | K151-Y153 PolarHBondContact O-N 3.16Š|
| 152 | D | 90.2 | Very high | 90.3 | Very high | 114 Ų | 114 | 111 Ų | 111 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 17.8 | -175.6 | -29.5 | -34.4 | 0 | 0 | 0 | 111.4 | K150 G154 E155 | K150-D152 VanDerWaalsContact C-N 3.26Å; K150-D152 PolarHBondContact O-N 3.14Å; D152-G154 PolarHBondContact O-N 3.36Å; D152-E155 PolarHBondContact O-N 3.48Å |
| 153 | Y | 91.6 | Very high | 91.1 | Very high | 150 Ų | 150 | 115.2 Ų | 115.2 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 122.4 | -179.6 | -171.8 | -95.4 | 0 | 0 | 0 | 110 | Y147 K150 K151 E155 | Y147-Y153 VanDerWaalsContact O-CD2 3.27Å; Y147-Y153 WeakPolarHBondContact O-CD2 3.29Å; K150-Y153 VanDerWaalsContact O-CB 3.24Å; K150-Y153 WeakPolarHBondContact O-CB 3.31Å; K150-Y153 PolarHBondContact O-N 2.96Å; K151-Y153 PolarHBondContact O-N 3.16Å; Y153-E155 VanDerWaalsContact C-N 3.29Å |
| 154 | G | 90.9 | Very high | 91.8 | Very high | 77 Ų | 77 | 112.6 Ų | 112.6 | 79% | 0.794 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.4 | -6.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D152 | D152-G154 PolarHBondContact O-N 3.36Š|
| 155 | E | 94.6 | Very high | 92.3 | Very high | 134 Ų | 134 | 114.2 Ų | 114.2 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -85.5 | 143.4 | 172.7 | -63.1 | -173 | 177 | 0 | 0 | 110.9 | D152 Y153 P157 | D152-E155 PolarHBondContact O-N 3.48Å; Y153-E155 VanDerWaalsContact C-N 3.29Å; E155-P157 VanDerWaalsContact O-CD 3.31Å; E155-P157 WeakPolarHBondContact O-CD 3.35Å |
| 156 | V | 94 | Very high | 92.9 | Very high | 87 Ų | 87 | 113.5 Ų | 113.5 | 53% | 0.527 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 120.4 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | L160 Q161 | V156-L160 HydrophobicContact CG1-CB 3.89Å; V156-L160 HydrophobicContact CG1-CD1 4.22Å; V156-Q161 HydrophobicContact CG1-CG 4.15Å; V156-Q161 PolarHBondContact O-NE2 3.34Å |
| 157 | P | 95.8 | Very high | 93.4 | Very high | 62 Ų | 62 | 113.6 Ų | 113.6 | 40% | 0.403 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 142.2 | 179 | -28.5 | 35.3 | 0 | 0 | 0 | 113.7 | E155 Y159 L160 Q161 | E155-P157 VanDerWaalsContact O-CD 3.31Å; E155-P157 WeakPolarHBondContact O-CD 3.35Å; P157-Y159 HydrophobicContact CB-CD1 3.47Å; P157-Y159 VanDerWaalsContact CB-CD1 3.47Å; P157-Y159 HydrophobicContact CB-CE1 3.33Å; P157-Y159 HydrophobicContact CG-CE1 3.9Å; P157-Y159 PolarHBondContact O-N 3.14Å; P157-Y159 VanDerWaalsContact O-N 3.08Å; P157-L160 WeakPolarHBondContact O-CB 3.18Å; P157-L160 PolarHBondContact O-N 3.08Å; P157-Q161 PolarHBondContact O-N 3.11Å |
| 158 | M | 95.1 | Very high | 94 | Very high | 141 Ų | 141 | 114.2 Ų | 114.2 | 70% | 0.695 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -50.6 | -37.6 | -179.1 | -73.2 | -59.5 | -58 | 0 | 0 | 114.1 | L160 Q161 L162 | M158-L160 VanDerWaalsContact C-N 3.29Å; M158-L160 PolarHBondContact O-N 3.49Å; M158-Q161 PolarHBondContact O-N 2.83Å; M158-L162 PolarHBondContact O-N 2.94Å |
| 159 | Y | 95.4 | Very high | 94.4 | Very high | 156 Ų | 156 | 116 Ų | 116 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.2 | -30.9 | -178.9 | 79.5 | -90.4 | 0 | 0 | 0 | 112.8 | P157 R163 | P157-Y159 HydrophobicContact CB-CD1 3.47Å; P157-Y159 VanDerWaalsContact CB-CD1 3.47Å; P157-Y159 HydrophobicContact CB-CE1 3.33Å; P157-Y159 HydrophobicContact CG-CE1 3.9Å; P157-Y159 PolarHBondContact O-N 3.14Å; P157-Y159 VanDerWaalsContact O-N 3.08Å; Y159-R163 WeakPolarHBondContact O-CB 3.41Å; Y159-R163 PolarHBondContact O-N 3.21Å; Y159-R163 VanDerWaalsContact O-N 3.07Å |
| 160 | L | 96.2 | Very high | 94.8 | Very high | 68 Ų | 68 | 110.6 Ų | 110.6 | 36% | 0.356 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.5 | -37.3 | 176.4 | -70.1 | 179.9 | 0 | 0 | 0 | 111.2 | V156 P157 M158 R163 S164 | V156-L160 HydrophobicContact CG1-CB 3.89Å; V156-L160 HydrophobicContact CG1-CD1 4.22Å; P157-L160 WeakPolarHBondContact O-CB 3.18Å; P157-L160 PolarHBondContact O-N 3.08Å; M158-L160 VanDerWaalsContact C-N 3.29Å; M158-L160 PolarHBondContact O-N 3.49Å; L160-R163 PolarHBondContact O-N 3.08Å; L160-S164 WeakPolarHBondContact O-CB 3.48Å; L160-S164 PolarHBondContact O-N 3.49Å |
| 161 | Q | 95.7 | Very high | 94.9 | Very high | 84 Ų | 84 | 110.5 Ų | 110.5 | 39% | 0.393 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.7 | -49.7 | 174.7 | -60.1 | 179 | -0.6 | 0 | 0 | 110.4 | V156 P157 M158 R163 S164 E165 | V156-Q161 HydrophobicContact CG1-CG 4.15Å; V156-Q161 PolarHBondContact O-NE2 3.34Å; P157-Q161 PolarHBondContact O-N 3.11Å; M158-Q161 PolarHBondContact O-N 2.83Å; Q161-R163 VanDerWaalsContact C-N 3.28Å; Q161-R163 PolarHBondContact O-N 3.11Å; Q161-S164 PolarHBondContact O-N 3.02Å; Q161-S164 VanDerWaalsContact O-N 3.15Å; Q161-E165 WeakPolarHBondContact O-CG 3.31Å; Q161-E165 PolarHBondContact O-N 2.75Å |
| 162 | L | 96.8 | Very high | 95.1 | Very high | 121 Ų | 121 | 103.8 Ų | 103.8 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.3 | -41.7 | 177.2 | -176.9 | 65 | 0 | 0 | 0 | 112.1 | M158 E165 A166 | M158-L162 PolarHBondContact O-N 2.94Å; L162-E165 PolarHBondContact O-N 3.42Å; L162-A166 PolarHBondContact O-N 2.79Å; L162-A166 VanDerWaalsContact O-N 3.08Å |
| 163 | R | 97.1 | Very high | 95.3 | Very high | 156 Ų | 156 | 104.6 Ų | 104.6 | 59% | 0.589 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65 | -46 | 176.7 | -176.7 | 179.8 | 175.8 | 168 | 5.7 | 111.9 | Y159 L160 Q161 E165 A166 E167 | Y159-R163 WeakPolarHBondContact O-CB 3.41Å; Y159-R163 PolarHBondContact O-N 3.21Å; Y159-R163 VanDerWaalsContact O-N 3.07Å; L160-R163 PolarHBondContact O-N 3.08Å; Q161-R163 VanDerWaalsContact C-N 3.28Å; Q161-R163 PolarHBondContact O-N 3.11Å; R163-E165 VanDerWaalsContact C-N 3.3Å; R163-E165 PolarHBondContact O-N 3.32Å; R163-A166 PolarHBondContact O-N 3.15Å; R163-E167 WeakPolarHBondContact CG-OE1 3.44Å; R163-E167 IonicContact CZ-OE1 3.78Å; R163-E167 IonicContact NE-OE1 2.75Å; R163-E167 PolarHBondContact NE-OE1 2.86Å; R163-E167 IonicContact NH2-OE1 3.39Å; R163-E167 WeakPolarHBondContact O-CG 3.27Å; R163-E167 PolarHBondContact O-N 3.36Å |
| 164 | S | 96.9 | Very high | 95.1 | Very high | 73 Ų | 73 | 102.1 Ų | 102.1 | 51% | 0.51 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 178 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | L160 Q161 E167 R168 | L160-S164 WeakPolarHBondContact O-CB 3.48Å; L160-S164 PolarHBondContact O-N 3.49Å; Q161-S164 PolarHBondContact O-N 3.02Å; Q161-S164 VanDerWaalsContact O-N 3.15Å; S164-E167 PolarHBondContact O-N 3.15Å; S164-R168 WeakPolarHBondContact O-CB 3.37Å; S164-R168 PolarHBondContact O-N 3.25Å |
| 165 | E | 97 | Very high | 95 | Very high | 95 Ų | 95 | 103.6 Ų | 103.6 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 176 | -72.1 | -176.8 | -179.6 | 0 | 0 | 112.6 | Q161 L162 R163 R168 K169 | Q161-E165 WeakPolarHBondContact O-CG 3.31Å; Q161-E165 PolarHBondContact O-N 2.75Å; L162-E165 PolarHBondContact O-N 3.42Å; R163-E165 VanDerWaalsContact C-N 3.3Å; R163-E165 PolarHBondContact O-N 3.32Å; E165-R168 PolarHBondContact O-N 3.34Å; E165-K169 WeakPolarHBondContact O-CG 3.44Å; E165-K169 PolarHBondContact O-N 3.04Å |
| 166 | A | 96.1 | Very high | 94.7 | Very high | 57 Ų | 57 | 105 Ų | 105 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | L162 R163 R168 K169 A170 | L162-A166 PolarHBondContact O-N 2.79Å; L162-A166 VanDerWaalsContact O-N 3.08Å; R163-A166 PolarHBondContact O-N 3.15Å; A166-R168 VanDerWaalsContact C-N 3.35Å; A166-R168 PolarHBondContact O-N 3.37Å; A166-K169 PolarHBondContact O-N 3.01Å; A166-A170 WeakPolarHBondContact O-CB 3.13Å; A166-A170 PolarHBondContact O-N 2.94Å |
| 167 | E | 96.2 | Very high | 94.2 | Very high | 92 Ų | 92 | 104.9 Ų | 104.9 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.9 | -72.6 | 172.7 | -172.5 | 0 | 0 | 111.3 | R163 S164 K169 A170 Q171 | R163-E167 WeakPolarHBondContact CG-OE1 3.44Å; R163-E167 IonicContact CZ-OE1 3.78Å; R163-E167 IonicContact NE-OE1 2.75Å; R163-E167 PolarHBondContact NE-OE1 2.86Å; R163-E167 IonicContact NH2-OE1 3.39Å; R163-E167 WeakPolarHBondContact O-CG 3.27Å; R163-E167 PolarHBondContact O-N 3.36Å; S164-E167 PolarHBondContact O-N 3.15Å; E167-K169 PolarHBondContact O-N 3.15Å; E167-A170 PolarHBondContact O-N 2.98Å; E167-Q171 VanDerWaalsContact O-CG 3.31Å; E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 3.39Å |
| 168 | R | 96.8 | Very high | 93.5 | Very high | 172 Ų | 172 | 105.5 Ų | 105.5 | 65% | 0.649 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 176.5 | -167.5 | -178.4 | 71.8 | 170.5 | 0.3 | 112.4 | S164 E165 A166 Q171 A172 | S164-R168 WeakPolarHBondContact O-CB 3.37Å; S164-R168 PolarHBondContact O-N 3.25Å; E165-R168 PolarHBondContact O-N 3.34Å; A166-R168 VanDerWaalsContact C-N 3.35Å; A166-R168 PolarHBondContact O-N 3.37Å; R168-Q171 PolarHBondContact O-N 2.92Å; R168-A172 PolarHBondContact O-N 2.87Å |
| 169 | K | 96.9 | Very high | 92.6 | Very high | 126 Ų | 126 | 107.3 Ų | 107.3 | 55% | 0.548 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 176.6 | -73.3 | 173.6 | -174.9 | 174.6 | 0 | 111.2 | E165 A166 E167 Q171 A172 E173 | E165-K169 WeakPolarHBondContact O-CG 3.44Å; E165-K169 PolarHBondContact O-N 3.04Å; A166-K169 PolarHBondContact O-N 3.01Å; E167-K169 PolarHBondContact O-N 3.15Å; K169-Q171 VanDerWaalsContact C-N 3.3Å; K169-Q171 PolarHBondContact O-N 3.41Å; K169-A172 PolarHBondContact O-N 2.97Å; K169-A172 VanDerWaalsContact O-N 3.13Å; K169-E173 PolarHBondContact O-N 3.15Å |
| 170 | A | 94.9 | Very high | 91.6 | Very high | 43 Ų | 43 | 104.5 Ų | 104.5 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A166 E167 N174 | A166-A170 WeakPolarHBondContact O-CB 3.13Å; A166-A170 PolarHBondContact O-N 2.94Å; E167-A170 PolarHBondContact O-N 2.98Å; A170-N174 WeakPolarHBondContact O-CB 3.19Å; A170-N174 PolarHBondContact O-N 3.45Å; A170-N174 PolarHBondContact O-ND2 2.87Å |
| 171 | Q | 94.1 | Very high | 90.1 | Very high | 116 Ų | 116 | 108 Ų | 108 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 174.1 | -75 | 175.9 | 1 | 0 | 0 | 112.1 | E167 R168 K169 N174 Q175 | E167-Q171 VanDerWaalsContact O-CG 3.31Å; E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 3.39Å; R168-Q171 PolarHBondContact O-N 2.92Å; K169-Q171 VanDerWaalsContact C-N 3.3Å; K169-Q171 PolarHBondContact O-N 3.41Å; Q171-N174 PolarHBondContact O-N 2.9Å; Q171-Q175 WeakPolarHBondContact O-CB 3.2Å; Q171-Q175 VanDerWaalsContact O-CG 3.29Å; Q171-Q175 WeakPolarHBondContact O-CG 3.44Å; Q171-Q175 PolarHBondContact O-N 3.32Å |
| 172 | A | 95.1 | Very high | 88.4 | Confident | 56 Ų | 56 | 108.7 Ų | 108.7 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R168 K169 Q175 R176 | R168-A172 PolarHBondContact O-N 2.87Å; K169-A172 PolarHBondContact O-N 2.97Å; K169-A172 VanDerWaalsContact O-N 3.13Å; A172-Q175 PolarHBondContact O-N 3.32Å; A172-R176 WeakPolarHBondContact O-CB 3.2Å; A172-R176 PolarHBondContact O-N 3.06Å |
| 173 | E | 93.5 | Very high | 86.7 | Confident | 131 Ų | 131 | 108.6 Ų | 108.6 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 175.4 | -73 | 177 | 179.8 | 0 | 0 | 111.7 | K169 Q175 R176 L177 | K169-E173 PolarHBondContact O-N 3.15Å; E173-Q175 PolarHBondContact O-N 3.02Å; E173-R176 WeakPolarHBondContact O-CB 3.33Å; E173-R176 PolarHBondContact O-N 3.06Å; E173-R176 VanDerWaalsContact O-N 3.15Å; E173-L177 WeakPolarHBondContact O-CG 3.35Å; E173-L177 PolarHBondContact O-N 3.12Å |
| 174 | N | 87.8 | Confident | 85.2 | Confident | 98 Ų | 98 | 103.9 Ų | 103.9 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 175.1 | -80.3 | -44.6 | 0 | 0 | 0 | 112 | A170 Q171 R176 L177 V178 | A170-N174 WeakPolarHBondContact O-CB 3.19Å; A170-N174 PolarHBondContact O-N 3.45Å; A170-N174 PolarHBondContact O-ND2 2.87Å; Q171-N174 PolarHBondContact O-N 2.9Å; N174-R176 VanDerWaalsContact C-N 3.26Å; N174-R176 PolarHBondContact O-N 2.87Å; N174-L177 PolarHBondContact O-N 3.37Å; N174-V178 WeakPolarHBondContact O-CB 3.46Å; N174-V178 WeakPolarHBondContact O-CG2 3.42Å; N174-V178 PolarHBondContact O-N 3.38Å |
| 175 | Q | 89 | Confident | 83.8 | Confident | 108 Ų | 108 | 106.9 Ų | 106.9 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 176.1 | -73.9 | 176.8 | 16.5 | 0 | 0 | 111.9 | Q171 A172 E173 R179 | Q171-Q175 WeakPolarHBondContact O-CB 3.2Å; Q171-Q175 VanDerWaalsContact O-CG 3.29Å; Q171-Q175 WeakPolarHBondContact O-CG 3.44Å; Q171-Q175 PolarHBondContact O-N 3.32Å; A172-Q175 PolarHBondContact O-N 3.32Å; E173-Q175 PolarHBondContact O-N 3.02Å; Q175-R179 WeakPolarHBondContact O-CB 3.34Å; Q175-R179 WeakPolarHBondContact O-CG 3.28Å; Q175-R179 PolarHBondContact O-N 3.4Å |
| 176 | R | 88.5 | Confident | 82.9 | Confident | 164 Ų | 164 | 109 Ų | 109 | 62% | 0.619 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.4 | -50.2 | 175.2 | -178.1 | -177.1 | 171.2 | -177.4 | -0.9 | 111.4 | A172 E173 N174 V178 R179 E180 | A172-R176 WeakPolarHBondContact O-CB 3.2Å; A172-R176 PolarHBondContact O-N 3.06Å; E173-R176 WeakPolarHBondContact O-CB 3.33Å; E173-R176 PolarHBondContact O-N 3.06Å; E173-R176 VanDerWaalsContact O-N 3.15Å; N174-R176 VanDerWaalsContact C-N 3.26Å; N174-R176 PolarHBondContact O-N 2.87Å; R176-V178 VanDerWaalsContact C-N 3.31Å; R176-V178 PolarHBondContact O-N 3.44Å; R176-R179 WeakPolarHBondContact O-CB 3.41Å; R176-R179 PolarHBondContact O-N 3.06Å; R176-R179 VanDerWaalsContact O-N 3.1Å; R176-E180 HydrophobicContact CG-CG 4.49Å; R176-E180 WeakPolarHBondContact CG-OE1 3.48Å; R176-E180 IonicContact CZ-OE1 3.32Å; R176-E180 IonicContact NE-OE1 3.56Å; R176-E180 PolarHBondContact NE-OE1 2.95Å; R176-E180 IonicContact NH2-OE1 2.8Å; R176-E180 PolarHBondContact NH2-OE1 2.85Å; R176-E180 WeakPolarHBondContact O-CG 3.32Å; R176-E180 PolarHBondContact O-N 2.88Å |
| 177 | L | 83.4 | Confident | 82.2 | Confident | 84 Ų | 84 | 107.8 Ų | 107.8 | 44% | 0.44 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 177.8 | -68.2 | 173.9 | 0 | 0 | 0 | 111.5 | E173 N174 R179 E180 Q181 | E173-L177 WeakPolarHBondContact O-CG 3.35Å; E173-L177 PolarHBondContact O-N 3.12Å; N174-L177 PolarHBondContact O-N 3.37Å; L177-R179 VanDerWaalsContact C-N 3.32Å; L177-R179 PolarHBondContact O-N 3.1Å; L177-E180 PolarHBondContact O-N 3.18Å; L177-Q181 WeakPolarHBondContact O-CB 3.41Å; L177-Q181 VanDerWaalsContact O-CG 3.27Å; L177-Q181 WeakPolarHBondContact O-CG 3.19Å; L177-Q181 PolarHBondContact O-N 3.32Å |
| 178 | V | 81.5 | Confident | 81.7 | Confident | 74 Ų | 74 | 106.5 Ų | 106.5 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | N174 R176 N182 | N174-V178 WeakPolarHBondContact O-CB 3.46Å; N174-V178 WeakPolarHBondContact O-CG2 3.42Å; N174-V178 PolarHBondContact O-N 3.38Å; R176-V178 VanDerWaalsContact C-N 3.31Å; R176-V178 PolarHBondContact O-N 3.44Å; V178-N182 WeakPolarHBondContact CG1-ND2 3.48Å; V178-N182 WeakPolarHBondContact O-CB 3.42Å; V178-N182 PolarHBondContact O-N 2.77Å; V178-N182 PolarHBondContact O-ND2 3.45Å |
| 179 | R | 76.1 | Confident | 81.2 | Confident | 180 Ų | 180 | 101.5 Ų | 101.5 | 68% | 0.679 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.4 | -39.7 | 173.7 | -73.6 | 169.6 | -173 | -171 | 4.1 | 112.3 | Q175 R176 L177 V183 | Q175-R179 WeakPolarHBondContact O-CB 3.34Å; Q175-R179 WeakPolarHBondContact O-CG 3.28Å; Q175-R179 PolarHBondContact O-N 3.4Å; R176-R179 WeakPolarHBondContact O-CB 3.41Å; R176-R179 PolarHBondContact O-N 3.06Å; R176-R179 VanDerWaalsContact O-N 3.1Å; L177-R179 VanDerWaalsContact C-N 3.32Å; L177-R179 PolarHBondContact O-N 3.1Å; R179-V183 WeakPolarHBondContact O-CG2 3.42Å; R179-V183 PolarHBondContact O-N 3.02Å |
| 180 | E | 73.6 | Confident | 80.9 | Confident | 96 Ų | 96 | 102.1 Ų | 102.1 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.6 | -36.1 | 177.3 | -71.1 | 172.7 | -179.4 | 0 | 0 | 111.8 | R176 L177 V183 | R176-E180 HydrophobicContact CG-CG 4.49Å; R176-E180 WeakPolarHBondContact CG-OE1 3.48Å; R176-E180 IonicContact CZ-OE1 3.32Å; R176-E180 IonicContact NE-OE1 3.56Å; R176-E180 PolarHBondContact NE-OE1 2.95Å; R176-E180 IonicContact NH2-OE1 2.8Å; R176-E180 PolarHBondContact NH2-OE1 2.85Å; R176-E180 WeakPolarHBondContact O-CG 3.32Å; R176-E180 PolarHBondContact O-N 2.88Å; L177-E180 PolarHBondContact O-N 3.18Å; E180-V183 WeakPolarHBondContact O-CB 3.47Å; E180-V183 WeakPolarHBondContact O-CG2 3.4Å; E180-V183 PolarHBondContact O-N 3.27Å |
| 181 | Q | 64.6 | Low | 80.6 | Confident | 143 Ų | 143 | 103.8 Ų | 103.8 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75.6 | -34.6 | 174.1 | -72.6 | 178.3 | 5.1 | 0 | 0 | 112.5 | L177 V183 | L177-Q181 WeakPolarHBondContact O-CB 3.41Å; L177-Q181 VanDerWaalsContact O-CG 3.27Å; L177-Q181 WeakPolarHBondContact O-CG 3.19Å; L177-Q181 PolarHBondContact O-N 3.32Å; Q181-V183 PolarHBondContact O-N 3.41Å; Q181-V183 VanDerWaalsContact O-N 3.15Å |
| 182 | N | 60.2 | Low | 80.4 | Confident | 97 Ų | 97 | 99 Ų | 99 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 17.6 | 172.8 | -68.9 | -35.7 | 0 | 0 | 0 | 112.9 | V178 L184 | V178-N182 WeakPolarHBondContact CG1-ND2 3.48Å; V178-N182 WeakPolarHBondContact O-CB 3.42Å; V178-N182 PolarHBondContact O-N 2.77Å; V178-N182 PolarHBondContact O-ND2 3.45Å; N182-L184 PolarHBondContact O-N 3.24Å |
| 183 | V | 61 | Low | 80.2 | Confident | 119 Ų | 119 | 100.7 Ų | 100.7 | 72% | 0.721 | 48% | 0.481 | S | S | * | . | trans | -72.8 | 43.7 | 159.3 | -170 | 0 | 0 | 0 | 0 | 108.9 | R179 E180 Q181 | R179-V183 WeakPolarHBondContact O-CG2 3.42Å; R179-V183 PolarHBondContact O-N 3.02Å; E180-V183 WeakPolarHBondContact O-CB 3.47Å; E180-V183 WeakPolarHBondContact O-CG2 3.4Å; E180-V183 PolarHBondContact O-N 3.27Å; Q181-V183 PolarHBondContact O-N 3.41Å; Q181-V183 VanDerWaalsContact O-N 3.15Å | ||
| 184 | L | 65.4 | Low | 80.2 | Confident | 58 Ų | 58 | 97.3 Ų | 97.3 | 30% | 0.304 | 48% | 0.475 | S | S | . | . | trans | -76.6 | 129.8 | 161.1 | -59.5 | -179.1 | 0 | 0 | 0 | 105.9 | N182 R186 F250 Y252 | N182-L184 PolarHBondContact O-N 3.24Å; L184-R186 PolarHBondContact O-N 3.18Å; L184-F250 HydrophobicContact CB-CB 3.81Å; L184-F250 HydrophobicContact CB-CD1 3.96Å; L184-F250 HydrophobicContact CB-CG 4.23Å; L184-F250 HydrophobicContact CD1-CB 3.96Å; L184-F250 HydrophobicContact CD1-CG 4.49Å; L184-Y252 HydrophobicContact CD2-CD2 3.54Å; L184-Y252 HydrophobicContact CD2-CE2 4.18Å | ||
| 185 | Q | 69.1 | Low | 80.4 | Confident | 136 Ų | 136 | 95.6 Ų | 95.6 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 107.8 | -179.3 | -166.9 | 172.5 | -3.3 | 0 | 0 | 107.9 | L187 I251 | Q185-L187 PolarHBondContact O-N 2.88Å; Q185-I251 PolarHBondContact N-O 3.44Å; Q185-I251 PolarHBondContact O-N 3.49Å |
| 186 | R | 77.4 | Confident | 80.7 | Confident | 140 Ų | 140 | 91.8 Ų | 91.8 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 128.4 | 173.4 | 176.6 | 179.8 | 164 | 174.1 | -2.5 | 107.4 | L184 T188 T248 F250 | L184-R186 PolarHBondContact O-N 3.18Å; R186-T188 PolarHBondContact O-N 3.45Å; R186-T248 HydrophobicContact CG-CG2 4.17Å; R186-F250 HydrophobicContact CB-CD1 4.11Å; R186-F250 HydrophobicContact CB-CE1 4.03Å; R186-F250 HydrophobicContact CG-CE1 4.45Å |
| 187 | L | 80.7 | Confident | 81 | Confident | 30 Ų | 30 | 90.8 Ų | 90.8 | 16% | 0.157 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 129.2 | 174.8 | -167.8 | 61.6 | 0 | 0 | 0 | 109.6 | Q185 D191 H192 F243 I249 I251 | Q185-L187 PolarHBondContact O-N 2.88Å; L187-D191 HydrophobicContact CD1-CB 3.38Å; L187-D191 HydrophobicContact CG-CB 3.84Å; L187-H192 HydrophobicContact CD2-CB 4.12Å; L187-H192 HydrophobicContact CG-CB 4.47Å; L187-F243 HydrophobicContact CD2-CE1 4.48Å; L187-I249 PolarHBondContact N-O 3.43Å; L187-I251 HydrophobicContact CB-CD1 4.42Å; L187-I251 HydrophobicContact CD1-CD1 3.77Å |
| 188 | T | 86.6 | Confident | 81.6 | Confident | 65 Ų | 65 | 88.3 Ų | 88.3 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 150.8 | 176.6 | -33.4 | 0 | 0 | 0 | 0 | 109.5 | R186 E190 D191 H192 | R186-T188 PolarHBondContact O-N 3.45Å; T188-E190 WeakPolarHBondContact CG2-OE2 3.36Å; T188-E190 PolarHBondContact O-N 2.8Å; T188-D191 WeakPolarHBondContact CB-OD2 3.33Å; T188-D191 PolarHBondContact O-N 3.1Å; T188-D191 PolarHBondContact OG1-OD2 3.3Å; T188-D191 VanDerWaalsContact OG1-OD2 3.09Å; T188-H192 WeakPolarHBondContact O-CB 3.45Å; T188-H192 PolarHBondContact O-N 3.5Å |
| 189 | E | 86.1 | Confident | 82.3 | Confident | 67 Ų | 67 | 85.8 Ų | 85.8 | 31% | 0.313 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.6 | -32.1 | 179.5 | -174.2 | 67.9 | -138.4 | 0 | 0 | 111.5 | H192 Q193 K247 | E189-H192 PolarHBondContact O-N 3.38Å; E189-Q193 WeakPolarHBondContact O-CG 3.39Å; E189-Q193 PolarHBondContact O-N 2.89Å; E189-Q193 PolarHBondContact OE1-NE2 3.32Å; E189-K247 WeakPolarHBondContact OE2-CE 3.26Å |
| 190 | E | 89.3 | Confident | 83.3 | Confident | 140 Ų | 140 | 81.2 Ų | 81.2 | 65% | 0.654 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.7 | -47.5 | 174.4 | -63.3 | 101.3 | -146.5 | 0 | 0 | 112.1 | T188 H192 Q193 A194 | T188-E190 WeakPolarHBondContact CG2-OE2 3.36Å; T188-E190 PolarHBondContact O-N 2.8Å; E190-H192 VanDerWaalsContact C-N 3.34Å; E190-H192 PolarHBondContact O-N 2.93Å; E190-Q193 PolarHBondContact O-N 2.95Å; E190-A194 WeakPolarHBondContact O-CB 3.33Å; E190-A194 PolarHBondContact O-N 3.39Å |
| 191 | D | 88.6 | Confident | 84.4 | Confident | 78 Ų | 78 | 83 Ų | 83 | 42% | 0.417 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 179.7 | -60.1 | -40.5 | 0 | 0 | 0 | 111.1 | L187 T188 Q193 A194 V195 | L187-D191 HydrophobicContact CD1-CB 3.38Å; L187-D191 HydrophobicContact CG-CB 3.84Å; T188-D191 WeakPolarHBondContact CB-OD2 3.33Å; T188-D191 PolarHBondContact O-N 3.1Å; T188-D191 PolarHBondContact OG1-OD2 3.3Å; T188-D191 VanDerWaalsContact OG1-OD2 3.09Å; D191-Q193 PolarHBondContact O-N 3.4Å; D191-A194 PolarHBondContact O-N 3.13Å; D191-V195 VanDerWaalsContact O-CG2 3.3Å; D191-V195 WeakPolarHBondContact O-CG2 3.12Å; D191-V195 PolarHBondContact O-N 3.31Å |
| 192 | H | 90.8 | Very high | 85.9 | Confident | 14 Ų | 14 | 82.3 Ų | 82.3 | 7% | 0.065 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 175 | -174.2 | -102.7 | 0 | 0 | 0 | 111.7 | L187 T188 E189 E190 V195 L196 F243 | L187-H192 HydrophobicContact CD2-CB 4.12Å; L187-H192 HydrophobicContact CG-CB 4.47Å; T188-H192 WeakPolarHBondContact O-CB 3.45Å; T188-H192 PolarHBondContact O-N 3.5Å; E189-H192 PolarHBondContact O-N 3.38Å; E190-H192 VanDerWaalsContact C-N 3.34Å; E190-H192 PolarHBondContact O-N 2.93Å; H192-V195 PolarHBondContact O-N 2.86Å; H192-L196 WeakPolarHBondContact O-CB 3.34Å; H192-L196 PolarHBondContact O-N 3.18Å; H192-F243 AromaticContact CD2-CD1 3.61Å; H192-F243 PolarHBondContact CE1-O 3.02Å; H192-F243 AromaticContact NE2-CD1 3.54Å; H192-F243 PolarHBondContact NE2-O 3.49Å; H192-F243 VanDerWaalsContact NE2-O 3.1Å |
| 193 | Q | 90.9 | Very high | 87.7 | Confident | 93 Ų | 93 | 80.6 Ų | 80.6 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 177.4 | -69.6 | 178.6 | 15.9 | 0 | 0 | 112.7 | E189 E190 D191 K197 | E189-Q193 WeakPolarHBondContact O-CG 3.39Å; E189-Q193 PolarHBondContact O-N 2.89Å; E189-Q193 PolarHBondContact OE1-NE2 3.32Å; E190-Q193 PolarHBondContact O-N 2.95Å; D191-Q193 PolarHBondContact O-N 3.4Å; Q193-K197 WeakPolarHBondContact O-CB 3.27Å; Q193-K197 VanDerWaalsContact O-CG 3.27Å; Q193-K197 WeakPolarHBondContact O-CG 3.49Å; Q193-K197 PolarHBondContact O-N 2.82Å |
| 194 | A | 93.6 | Very high | 89.4 | Confident | 60 Ų | 60 | 78.9 Ų | 78.9 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E190 D191 K197 G198 | E190-A194 WeakPolarHBondContact O-CB 3.33Å; E190-A194 PolarHBondContact O-N 3.39Å; D191-A194 PolarHBondContact O-N 3.13Å; A194-K197 PolarHBondContact O-N 3.33Å; A194-G198 PolarHBondContact O-N 3.31Å |
| 195 | V | 92.8 | Very high | 90.8 | Very high | 61 Ų | 61 | 80.6 Ų | 80.6 | 37% | 0.37 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 176.2 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | D191 H192 K197 G198 L199 F243 | D191-V195 VanDerWaalsContact O-CG2 3.3Å; D191-V195 WeakPolarHBondContact O-CG2 3.12Å; D191-V195 PolarHBondContact O-N 3.31Å; H192-V195 PolarHBondContact O-N 2.86Å; V195-K197 PolarHBondContact O-N 3.39Å; V195-G198 CarbonylContact O-C 3.58Å; V195-G198 WeakPolarHBondContact O-CA 3.49Å; V195-G198 PolarHBondContact O-N 2.95Å; V195-L199 HydrophobicContact CG1-CD1 3.56Å; V195-L199 WeakPolarHBondContact O-CD1 3.44Å; V195-L199 PolarHBondContact O-N 3.38Å; V195-F243 HydrophobicContact CG1-CD1 4.4Å; V195-F243 HydrophobicContact CG1-CE1 4.02Å; V195-F243 HydrophobicContact CG1-CZ 4.09Å |
| 196 | L | 94.4 | Very high | 92.1 | Very high | 29 Ų | 29 | 75.7 Ų | 75.7 | 15% | 0.152 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | -179.3 | -168.8 | 155.7 | 0 | 0 | 0 | 112.4 | H192 G198 L199 K200 E244 | H192-L196 WeakPolarHBondContact O-CB 3.34Å; H192-L196 PolarHBondContact O-N 3.18Å; L196-G198 VanDerWaalsContact C-N 3.32Å; L196-G198 PolarHBondContact O-N 2.82Å; L196-L199 PolarHBondContact O-N 3.23Å; L196-K200 HydrophobicContact CD2-CD 3.72Å; L196-K200 HydrophobicContact CD2-CG 4.34Å; L196-K200 WeakPolarHBondContact O-CG 3.38Å; L196-K200 PolarHBondContact O-N 3.29Å; L196-E244 HydrophobicContact CD1-CG 3.76Å |
| 197 | K | 95.5 | Very high | 93 | Very high | 142 Ų | 142 | 71.5 Ų | 71.5 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 172.3 | -74.8 | 172 | -176.7 | 172.3 | 0 | 111.6 | Q193 A194 V195 K200 K201 | Q193-K197 WeakPolarHBondContact O-CB 3.27Å; Q193-K197 VanDerWaalsContact O-CG 3.27Å; Q193-K197 WeakPolarHBondContact O-CG 3.49Å; Q193-K197 PolarHBondContact O-N 2.82Å; A194-K197 PolarHBondContact O-N 3.33Å; V195-K197 PolarHBondContact O-N 3.39Å; K197-K200 PolarHBondContact O-N 2.93Å; K197-K201 WeakPolarHBondContact O-CB 3.08Å; K197-K201 PolarHBondContact O-N 2.96Å |
| 198 | G | 96.3 | Very high | 93.7 | Very high | 32 Ų | 32 | 79 Ų | 79 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A194 V195 L196 K201 K202 | A194-G198 PolarHBondContact O-N 3.31Å; V195-G198 CarbonylContact O-C 3.58Å; V195-G198 WeakPolarHBondContact O-CA 3.49Å; V195-G198 PolarHBondContact O-N 2.95Å; L196-G198 VanDerWaalsContact C-N 3.32Å; L196-G198 PolarHBondContact O-N 2.82Å; G198-K201 PolarHBondContact O-N 3.47Å; G198-K202 WeakPolarHBondContact O-CG 3.45Å; G198-K202 PolarHBondContact O-N 3.47Å |
| 199 | L | 96.1 | Very high | 94.1 | Very high | 21 Ų | 21 | 80.7 Ų | 80.7 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 175.1 | -83.1 | 138.9 | 0 | 0 | 0 | 111.8 | V195 L196 K201 K202 W203 L236 D239 I240 F243 | V195-L199 HydrophobicContact CG1-CD1 3.56Å; V195-L199 WeakPolarHBondContact O-CD1 3.44Å; V195-L199 PolarHBondContact O-N 3.38Å; L196-L199 PolarHBondContact O-N 3.23Å; L199-K201 PolarHBondContact O-N 3.09Å; L199-K202 PolarHBondContact O-N 2.94Å; L199-W203 PolarHBondContact O-N 3.48Å; L199-L236 HydrophobicContact CD2-CD2 3.84Å; L199-D239 HydrophobicContact CD2-CB 3.66Å; L199-I240 HydrophobicContact CB-CD1 4.24Å; L199-I240 HydrophobicContact CB-CG1 3.71Å; L199-I240 HydrophobicContact CD2-CG1 4.32Å; L199-F243 HydrophobicContact CD1-CD2 4.23Å; L199-F243 HydrophobicContact CD1-CE2 4.48Å |
| 200 | K | 96.2 | Very high | 94.4 | Very high | 85 Ų | 85 | 80.8 Ų | 80.8 | 37% | 0.37 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 177.7 | -73 | -177.1 | 178.7 | 179.7 | 0 | 112 | L196 K197 K202 W203 D204 I240 E244 | L196-K200 HydrophobicContact CD2-CD 3.72Å; L196-K200 HydrophobicContact CD2-CG 4.34Å; L196-K200 WeakPolarHBondContact O-CG 3.38Å; L196-K200 PolarHBondContact O-N 3.29Å; K197-K200 PolarHBondContact O-N 2.93Å; K200-K202 PolarHBondContact O-N 3.2Å; K200-W203 WeakPolarHBondContact O-CB 2.78Å; K200-W203 PolarHBondContact O-N 3.03Å; K200-D204 PolarHBondContact O-N 2.98Å; K200-I240 HydrophobicContact CG-CD1 4.03Å; K200-E244 WeakPolarHBondContact CE-OE1 3.45Å; K200-E244 IonicContact NZ-OE1 3.5Å; K200-E244 PolarHBondContact NZ-OE1 3.41Å |
| 201 | K | 97.3 | Very high | 94.6 | Very high | 132 Ų | 132 | 80.3 Ų | 80.3 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.2 | -44 | 176.3 | -172.4 | -177.8 | 175.2 | -171.5 | 0 | 112.3 | K197 G198 L199 W203 D204 E205 | K197-K201 WeakPolarHBondContact O-CB 3.08Å; K197-K201 PolarHBondContact O-N 2.96Å; G198-K201 PolarHBondContact O-N 3.47Å; L199-K201 PolarHBondContact O-N 3.09Å; K201-W203 VanDerWaalsContact C-N 3.31Å; K201-W203 PolarHBondContact O-N 3.29Å; K201-D204 PolarHBondContact O-N 3.48Å; K201-E205 VanDerWaalsContact CE-OE1 3.3Å; K201-E205 WeakPolarHBondContact CE-OE1 3.45Å; K201-E205 WeakPolarHBondContact O-CG 3.46Å; K201-E205 PolarHBondContact O-N 3.04Å |
| 202 | K | 96.6 | Very high | 94.8 | Very high | 130 Ų | 130 | 79.7 Ų | 79.7 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.5 | -37.4 | 175.7 | -74.4 | 177.8 | 179.5 | 178.7 | 0 | 112.2 | G198 L199 K200 E205 L206 L236 | G198-K202 WeakPolarHBondContact O-CG 3.45Å; G198-K202 PolarHBondContact O-N 3.47Å; L199-K202 PolarHBondContact O-N 2.94Å; K200-K202 PolarHBondContact O-N 3.2Å; K202-E205 PolarHBondContact O-N 3.4Å; K202-L206 PolarHBondContact O-N 2.87Å; K202-L236 HydrophobicContact CB-CD1 4.2Å |
| 203 | W | 96.9 | Very high | 94.8 | Very high | 61 Ų | 61 | 80.5 Ų | 80.5 | 23% | 0.231 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 174.9 | -175.3 | 97.4 | 0 | 0 | 0 | 110.9 | L199 K200 K201 E205 L206 H207 M233 L236 E237 I240 | L199-W203 PolarHBondContact O-N 3.48Å; K200-W203 WeakPolarHBondContact O-CB 2.78Å; K200-W203 PolarHBondContact O-N 3.03Å; K201-W203 VanDerWaalsContact C-N 3.31Å; K201-W203 PolarHBondContact O-N 3.29Å; W203-E205 VanDerWaalsContact C-N 3.32Å; W203-E205 PolarHBondContact O-N 3.47Å; W203-L206 PolarHBondContact O-N 3.02Å; W203-H207 HydrophobicContact CE3-CB 4.24Å; W203-H207 HydrophobicContact CH2-CB 4.34Å; W203-H207 AromaticContact CH2-CG 3.98Å; W203-H207 HydrophobicContact CZ3-CB 4.11Å; W203-H207 VanDerWaalsContact O-CB 3.25Å; W203-H207 WeakPolarHBondContact O-CB 3.27Å; W203-H207 PolarHBondContact O-N 3.43Å; W203-M233 HydrophobicContact CH2-CE 4.41Å; W203-M233 HydrophobicContact CZ2-CE 3.56Å; W203-L236 HydrophobicContact CB-CB 4.45Å; W203-L236 HydrophobicContact CB-CD1 4.03Å; W203-E237 PolarHBondContact NE1-OE1 3.34Å; W203-E237 VanDerWaalsContact NE1-OE1 3.15Å; W203-I240 HydrophobicContact CB-CD1 4.41Å |
| 204 | D | 96.4 | Very high | 94.7 | Very high | 82 Ų | 82 | 79.2 Ų | 79.2 | 44% | 0.439 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 176.3 | -70.5 | -29.2 | 0 | 0 | 0 | 112.2 | K200 K201 H207 R208 | K200-D204 PolarHBondContact O-N 2.98Å; K201-D204 PolarHBondContact O-N 3.48Å; D204-H207 PolarHBondContact O-N 3.41Å; D204-R208 VanDerWaalsContact O-CG 3.26Å; D204-R208 WeakPolarHBondContact O-CG 3.27Å; D204-R208 PolarHBondContact O-N 2.98Å |
| 205 | E | 96.3 | Very high | 94.4 | Very high | 94 Ų | 94 | 85 Ų | 85 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -50.5 | 176.4 | -72.8 | 166.9 | -173.8 | 0 | 0 | 111.5 | K201 K202 W203 H207 R208 E209 | K201-E205 VanDerWaalsContact CE-OE1 3.3Å; K201-E205 WeakPolarHBondContact CE-OE1 3.45Å; K201-E205 WeakPolarHBondContact O-CG 3.46Å; K201-E205 PolarHBondContact O-N 3.04Å; K202-E205 PolarHBondContact O-N 3.4Å; W203-E205 VanDerWaalsContact C-N 3.32Å; W203-E205 PolarHBondContact O-N 3.47Å; E205-H207 VanDerWaalsContact C-N 3.31Å; E205-H207 PolarHBondContact O-N 3.45Å; E205-R208 WeakPolarHBondContact O-CB 3.46Å; E205-R208 PolarHBondContact O-N 3.05Å; E205-E209 PolarHBondContact O-N 3.49Å; E205-E209 VanDerWaalsContact O-N 3.12Å |
| 206 | L | 95.7 | Very high | 94.1 | Very high | 33 Ų | 33 | 87.8 Ų | 87.8 | 17% | 0.173 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 176.6 | -73.3 | 179.8 | 0 | 0 | 0 | 112.6 | K202 W203 R208 E209 Y210 L229 K232 M233 L236 | K202-L206 PolarHBondContact O-N 2.87Å; W203-L206 PolarHBondContact O-N 3.02Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-E209 PolarHBondContact O-N 2.92Å; L206-Y210 WeakPolarHBondContact O-CB 3.37Å; L206-Y210 PolarHBondContact O-N 2.93Å; L206-L229 HydrophobicContact CD2-CD2 3.97Å; L206-K232 HydrophobicContact CD1-CB 3.81Å; L206-M233 HydrophobicContact CB-CG 4.24Å; L206-L236 HydrophobicContact CD1-CD1 3.71Å |
| 207 | H | 95.4 | Very high | 93.8 | Very high | 52 Ų | 52 | 88.2 Ų | 88.2 | 24% | 0.241 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 177.2 | -169.9 | 56.2 | 0 | 0 | 0 | 111.4 | W203 D204 E205 Y210 Q211 M233 | W203-H207 HydrophobicContact CE3-CB 4.24Å; W203-H207 HydrophobicContact CH2-CB 4.34Å; W203-H207 AromaticContact CH2-CG 3.98Å; W203-H207 HydrophobicContact CZ3-CB 4.11Å; W203-H207 VanDerWaalsContact O-CB 3.25Å; W203-H207 WeakPolarHBondContact O-CB 3.27Å; W203-H207 PolarHBondContact O-N 3.43Å; D204-H207 PolarHBondContact O-N 3.41Å; E205-H207 VanDerWaalsContact C-N 3.31Å; E205-H207 PolarHBondContact O-N 3.45Å; H207-Y210 PolarHBondContact O-N 3.23Å; H207-Q211 PolarHBondContact CD2-NE2 3.49Å; H207-Q211 PolarHBondContact NE2-NE2 2.99Å; H207-Q211 WeakPolarHBondContact O-CB 3.47Å; H207-Q211 VanDerWaalsContact O-CG 3.27Å; H207-Q211 WeakPolarHBondContact O-CG 3.4Å; H207-Q211 PolarHBondContact O-N 2.96Å; H207-M233 HydrophobicContact CB-CE 4.02Å; H207-M233 HydrophobicContact CB-SD 4.48Å; H207-M233 VanDerWaalsContact ND1-CE 3.27Å; H207-M233 WeakPolarHBondContact ND1-CE 3.43Å |
| 208 | R | 96.1 | Very high | 93.5 | Very high | 189 Ų | 189 | 87 Ų | 87 | 71% | 0.713 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 172.1 | -73.4 | 171.3 | -177.5 | -152.9 | 1.1 | 112.1 | D204 E205 L206 Y210 Q211 G212 | D204-R208 VanDerWaalsContact O-CG 3.26Å; D204-R208 WeakPolarHBondContact O-CG 3.27Å; D204-R208 PolarHBondContact O-N 2.98Å; E205-R208 WeakPolarHBondContact O-CB 3.46Å; E205-R208 PolarHBondContact O-N 3.05Å; L206-R208 VanDerWaalsContact C-N 3.34Å; R208-Y210 VanDerWaalsContact C-N 3.33Å; R208-Y210 PolarHBondContact O-N 3.5Å; R208-Q211 PolarHBondContact O-N 3.5Å; R208-G212 PolarHBondContact O-N 2.9Å |
| 209 | E | 94.1 | Very high | 93.3 | Very high | 100 Ų | 100 | 88.6 Ų | 88.6 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 175.4 | -71.5 | -174 | -157.1 | 0 | 0 | 112.5 | E205 L206 G212 L229 | E205-E209 PolarHBondContact O-N 3.49Å; E205-E209 VanDerWaalsContact O-N 3.12Å; L206-E209 PolarHBondContact O-N 2.92Å; E209-G212 PolarHBondContact O-N 3.15Å; E209-L229 HydrophobicContact CB-CD2 4.41Å |
| 210 | Y | 94.3 | Very high | 93.1 | Very high | 69 Ų | 69 | 92.1 Ų | 92.1 | 27% | 0.271 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 175 | 179.7 | -93.8 | 0 | 0 | 0 | 111.8 | L206 H207 R208 G212 L213 K226 L229 E230 M233 | L206-Y210 WeakPolarHBondContact O-CB 3.37Å; L206-Y210 PolarHBondContact O-N 2.93Å; H207-Y210 PolarHBondContact O-N 3.23Å; R208-Y210 VanDerWaalsContact C-N 3.33Å; R208-Y210 PolarHBondContact O-N 3.5Å; Y210-G212 PolarHBondContact O-N 3.09Å; Y210-L213 HydrophobicContact CD2-CD1 3.76Å; Y210-L213 HydrophobicContact CE2-CD1 4.11Å; Y210-L213 HydrophobicContact CG-CD1 4.35Å; Y210-L213 VanDerWaalsContact O-CB 3.28Å; Y210-L213 WeakPolarHBondContact O-CB 3.32Å; Y210-L213 WeakPolarHBondContact O-CD1 3.46Å; Y210-L213 VanDerWaalsContact O-CG 3.28Å; Y210-L213 WeakPolarHBondContact O-CG 3.25Å; Y210-L213 PolarHBondContact O-N 3.34Å; Y210-L213 VanDerWaalsContact O-N 3.13Å; Y210-K226 HydrophobicContact CE2-CD 4.47Å; Y210-K226 HydrophobicContact CE2-CG 3.84Å; Y210-K226 WeakPolarHBondContact OH-CE 3.4Å; Y210-L229 HydrophobicContact CD2-CB 4.14Å; Y210-E230 HydrophobicContact CD2-CG 4.36Å; Y210-E230 HydrophobicContact CE2-CG 3.7Å; Y210-E230 PolarHBondContact OH-OE1 3.16Å; Y210-M233 HydrophobicContact CG-SD 4.36Å |
| 211 | Q | 93.4 | Very high | 92.8 | Very high | 129 Ų | 129 | 92.5 Ų | 92.5 | 60% | 0.603 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.8 | -30.5 | 175.1 | -73.4 | 178.8 | -2.3 | 0 | 0 | 112.6 | H207 R208 L213 | H207-Q211 PolarHBondContact CD2-NE2 3.49Å; H207-Q211 PolarHBondContact NE2-NE2 2.99Å; H207-Q211 WeakPolarHBondContact O-CB 3.47Å; H207-Q211 VanDerWaalsContact O-CG 3.27Å; H207-Q211 WeakPolarHBondContact O-CG 3.4Å; H207-Q211 PolarHBondContact O-N 2.96Å; R208-Q211 PolarHBondContact O-N 3.5Å; Q211-L213 PolarHBondContact O-N 3.42Å |
| 212 | G | 91.2 | Very high | 92.5 | Very high | 66 Ų | 66 | 90.4 Ų | 90.4 | 68% | 0.68 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 1.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | R208 E209 Y210 | R208-G212 PolarHBondContact O-N 2.9Å; E209-G212 PolarHBondContact O-N 3.15Å; Y210-G212 PolarHBondContact O-N 3.09Å |
| 213 | L | 91.2 | Very high | 92.3 | Very high | 31 Ų | 31 | 89.7 Ų | 89.7 | 16% | 0.162 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -69.3 | 143 | 177.6 | -70.9 | 171.4 | 0 | 0 | 0 | 111.6 | Y210 Q211 R225 K226 L229 | Y210-L213 HydrophobicContact CD2-CD1 3.76Å; Y210-L213 HydrophobicContact CE2-CD1 4.11Å; Y210-L213 HydrophobicContact CG-CD1 4.35Å; Y210-L213 VanDerWaalsContact O-CB 3.28Å; Y210-L213 WeakPolarHBondContact O-CB 3.32Å; Y210-L213 WeakPolarHBondContact O-CD1 3.46Å; Y210-L213 VanDerWaalsContact O-CG 3.28Å; Y210-L213 WeakPolarHBondContact O-CG 3.25Å; Y210-L213 PolarHBondContact O-N 3.34Å; Y210-L213 VanDerWaalsContact O-N 3.13Å; Q211-L213 PolarHBondContact O-N 3.42Å; L213-R225 HydrophobicContact CD2-CG 4.43Å; L213-K226 HydrophobicContact CD1-CB 4.11Å; L213-K226 HydrophobicContact CD1-CG 4.15Å; L213-L229 HydrophobicContact CD1-CD1 4.02Å; L213-L229 HydrophobicContact CD2-CD1 4.3Å; L213-L229 HydrophobicContact CG-CD1 4.35Å |
| 214 | P | 89.7 | Confident | 92.2 | Very high | 66 Ų | 66 | 91.2 Ų | 91.2 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | trans | -66.2 | 141.9 | 175.6 | 27.2 | -33.3 | 0 | 0 | 0 | 111.1 | L216 I217 K222 | P214-L216 PolarHBondContact O-N 3.47Å; P214-I217 WeakPolarHBondContact O-CG1 3.17Å; P214-K222 HydrophobicContact CG-CD 4.42Å | ||
| 215 | L | 85.9 | Confident | 92 | Very high | 180 Ų | 180 | 94.1 Ų | 94.1 | 94% | 0.942 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -55.5 | -34.8 | 178.3 | -75.7 | 144.6 | 0 | 0 | 0 | 113.1 | ||
| 216 | L | 88.3 | Confident | 91.9 | Very high | 120 Ų | 120 | 92.8 Ų | 92.8 | 63% | 0.628 | 48% | 0.48 | S | S | * | . | trans | -96.9 | 111.7 | 178.9 | -63.8 | 175.9 | 0 | 0 | 0 | 111.3 | P214 | P214-L216 PolarHBondContact O-N 3.47Š| ||
| 217 | I | 86.1 | Confident | 91.9 | Very high | 39 Ų | 39 | 95.2 Ų | 95.2 | 20% | 0.2 | 49% | 0.492 | C | S | . | . | trans | -113 | 60.9 | -176.6 | -48.2 | -178.6 | 0 | 0 | 0 | 109.8 | P214 K222 K223 K226 | P214-I217 WeakPolarHBondContact O-CG1 3.17Å; I217-K222 VanDerWaalsContact CG2-C 3.45Å; I217-K222 HydrophobicContact CG2-CB 3.6Å; I217-K223 HydrophobicContact CG2-CB 4.24Å; I217-K223 HydrophobicContact CG2-CG 3.57Å; I217-K223 WeakPolarHBondContact O-CE 3.44Å; I217-K226 HydrophobicContact CD1-CB 4.46Å; I217-K226 HydrophobicContact CD1-CD 3.57Å; I217-K226 HydrophobicContact CD1-CG 4.47Å | ||
| 218 | D | 89.3 | Confident | 91.9 | Very high | 116 Ų | 116 | 95 Ų | 95 | 62% | 0.62 | 50% | 0.496 | S | S | * | . | trans | -84.5 | -33.2 | -172.4 | -55.8 | -40.2 | 0 | 0 | 0 | 112.8 | ||||
| 219 | T | 93.7 | Very high | 91.9 | Very high | 66 Ų | 66 | 86.4 Ų | 86.4 | 41% | 0.405 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -81.4 | 141.6 | 179.8 | 41.8 | 0 | 0 | 0 | 0 | 112.3 | S221 K222 K223 | T219-S221 VanDerWaalsContact C-N 3.26Å; T219-S221 PolarHBondContact O-N 3.21Å; T219-K222 WeakPolarHBondContact O-CB 3.37Å; T219-K222 PolarHBondContact O-N 3.42Å; T219-K222 WeakPolarHBondContact OG1-CD 3.45Å; T219-K222 WeakPolarHBondContact OG1-CE 3.42Å; T219-K222 WeakPolarHBondContact OG1-CG 3.45Å; T219-K223 PolarHBondContact O-N 2.99Å |
| 220 | P | 92.1 | Very high | 91.9 | Very high | 94 Ų | 94 | 85.2 Ų | 85.2 | 61% | 0.61 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.8 | -38 | -178.3 | 22.5 | -33 | 0 | 0 | 0 | 112.3 | K222 K223 T224 | P220-K222 VanDerWaalsContact C-N 3.31Å; P220-K222 PolarHBondContact O-N 2.97Å; P220-K223 WeakPolarHBondContact O-CB 3.27Å; P220-K223 PolarHBondContact O-N 3.11Å; P220-K223 VanDerWaalsContact O-N 3.11Å; P220-T224 PolarHBondContact O-N 3.21Å; P220-T224 PolarHBondContact O-OG1 2.89Å; P220-T224 VanDerWaalsContact O-OG1 3.1Å |
| 221 | S | 89.6 | Confident | 92 | Very high | 93 Ų | 93 | 87.3 Ų | 87.3 | 65% | 0.65 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.5 | -36 | 176.7 | -45.8 | 0 | 0 | 0 | 0 | 113.3 | T219 R225 | T219-S221 VanDerWaalsContact C-N 3.26Å; T219-S221 PolarHBondContact O-N 3.21Å; S221-R225 WeakPolarHBondContact O-CB 3.48Å; S221-R225 PolarHBondContact O-N 3.2Å |
| 222 | K | 90.3 | Very high | 92.1 | Very high | 89 Ų | 89 | 85.8 Ų | 85.8 | 39% | 0.387 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.8 | -37.1 | 175.6 | -67.8 | 177.5 | -175.5 | 176.9 | 0 | 111 | P214 I217 T219 P220 R225 K226 | P214-K222 HydrophobicContact CG-CD 4.42Å; I217-K222 VanDerWaalsContact CG2-C 3.45Å; I217-K222 HydrophobicContact CG2-CB 3.6Å; T219-K222 WeakPolarHBondContact O-CB 3.37Å; T219-K222 PolarHBondContact O-N 3.42Å; T219-K222 WeakPolarHBondContact OG1-CD 3.45Å; T219-K222 WeakPolarHBondContact OG1-CE 3.42Å; T219-K222 WeakPolarHBondContact OG1-CG 3.45Å; P220-K222 VanDerWaalsContact C-N 3.31Å; P220-K222 PolarHBondContact O-N 2.97Å; K222-R225 PolarHBondContact O-N 3.35Å; K222-K226 PolarHBondContact O-N 3.1Å |
| 223 | K | 92.6 | Very high | 92.4 | Very high | 114 Ų | 114 | 83.6 Ų | 83.6 | 50% | 0.496 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 174.5 | -64.2 | -178.2 | -179.2 | 177.8 | 0 | 111.3 | I217 T219 P220 R225 K226 I227 | I217-K223 HydrophobicContact CG2-CB 4.24Å; I217-K223 HydrophobicContact CG2-CG 3.57Å; I217-K223 WeakPolarHBondContact O-CE 3.44Å; T219-K223 PolarHBondContact O-N 2.99Å; P220-K223 WeakPolarHBondContact O-CB 3.27Å; P220-K223 PolarHBondContact O-N 3.11Å; P220-K223 VanDerWaalsContact O-N 3.11Å; K223-R225 VanDerWaalsContact C-N 3.32Å; K223-R225 PolarHBondContact O-N 3.37Å; K223-K226 WeakPolarHBondContact O-CB 3.41Å; K223-K226 PolarHBondContact O-N 3.47Å; K223-I227 WeakPolarHBondContact O-CG1 3.05Å; K223-I227 PolarHBondContact O-N 2.93Å |
| 224 | T | 93.9 | Very high | 92.7 | Very high | 93 Ų | 93 | 84.2 Ų | 84.2 | 57% | 0.571 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 176.5 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | P220 K226 I227 C228 | P220-T224 PolarHBondContact O-N 3.21Å; P220-T224 PolarHBondContact O-OG1 2.89Å; P220-T224 VanDerWaalsContact O-OG1 3.1Å; T224-K226 VanDerWaalsContact C-N 3.35Å; T224-K226 PolarHBondContact O-N 3.36Å; T224-I227 PolarHBondContact O-N 3.18Å; T224-C228 WeakPolarHBondContact O-CB 3.47Å; T224-C228 PolarHBondContact O-N 3.33Å |
| 225 | R | 93.6 | Very high | 93 | Very high | 144 Ų | 144 | 86.4 Ų | 86.4 | 54% | 0.543 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.8 | -178 | 178.5 | 176.3 | -174.4 | -2.1 | 111.9 | L213 S221 K222 K223 C228 L229 | L213-R225 HydrophobicContact CD2-CG 4.43Å; S221-R225 WeakPolarHBondContact O-CB 3.48Å; S221-R225 PolarHBondContact O-N 3.2Å; K222-R225 PolarHBondContact O-N 3.35Å; K223-R225 VanDerWaalsContact C-N 3.32Å; K223-R225 PolarHBondContact O-N 3.37Å; R225-C228 PolarHBondContact O-N 3.13Å; R225-L229 HydrophobicContact CG-CD1 4.32Å; R225-L229 WeakPolarHBondContact O-CG 3.44Å; R225-L229 PolarHBondContact O-N 3Å; R225-L229 VanDerWaalsContact O-N 3.11Å |
| 226 | K | 94.2 | Very high | 93.5 | Very high | 65 Ų | 65 | 79 Ų | 79 | 28% | 0.283 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.6 | -51.7 | 176.2 | -179.5 | -177.9 | 163 | 177 | 0 | 111.2 | Y210 L213 I217 K222 K223 T224 C228 L229 E230 | Y210-K226 HydrophobicContact CE2-CD 4.47Å; Y210-K226 HydrophobicContact CE2-CG 3.84Å; Y210-K226 WeakPolarHBondContact OH-CE 3.4Å; L213-K226 HydrophobicContact CD1-CB 4.11Å; L213-K226 HydrophobicContact CD1-CG 4.15Å; I217-K226 HydrophobicContact CD1-CB 4.46Å; I217-K226 HydrophobicContact CD1-CD 3.57Å; I217-K226 HydrophobicContact CD1-CG 4.47Å; K222-K226 PolarHBondContact O-N 3.1Å; K223-K226 WeakPolarHBondContact O-CB 3.41Å; K223-K226 PolarHBondContact O-N 3.47Å; T224-K226 VanDerWaalsContact C-N 3.35Å; T224-K226 PolarHBondContact O-N 3.36Å; K226-C228 VanDerWaalsContact C-N 3.31Å; K226-C228 PolarHBondContact O-N 3.34Å; K226-L229 WeakPolarHBondContact O-CB 3.3Å; K226-L229 PolarHBondContact O-N 3.38Å; K226-L229 VanDerWaalsContact O-N 3.1Å; K226-E230 WeakPolarHBondContact CE-OE1 3.16Å; K226-E230 HydrophobicContact CG-CG 4.48Å; K226-E230 IonicContact NZ-OE1 2.78Å; K226-E230 WeakPolarHBondContact O-CG 3.28Å; K226-E230 PolarHBondContact O-N 3.5Å |
| 227 | I | 94.9 | Very high | 93.8 | Very high | 84 Ų | 84 | 77.7 Ų | 77.7 | 43% | 0.431 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | -179.6 | -66.9 | 164.5 | 0 | 0 | 0 | 110.8 | K223 T224 L229 E230 E231 | K223-I227 WeakPolarHBondContact O-CG1 3.05Å; K223-I227 PolarHBondContact O-N 2.93Å; T224-I227 PolarHBondContact O-N 3.18Å; I227-L229 VanDerWaalsContact C-N 3.3Å; I227-L229 PolarHBondContact O-N 2.85Å; I227-E230 PolarHBondContact O-N 3.29Å; I227-E231 HydrophobicContact CG2-CG 4.33Å; I227-E231 WeakPolarHBondContact O-CG 3.45Å; I227-E231 PolarHBondContact O-N 3.27Å |
| 228 | C | 95.2 | Very high | 94.3 | Very high | 48 Ų | 48 | 82.4 Ų | 82.4 | 32% | 0.324 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 177.9 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | T224 R225 K226 K232 | T224-C228 WeakPolarHBondContact O-CB 3.47Å; T224-C228 PolarHBondContact O-N 3.33Å; R225-C228 PolarHBondContact O-N 3.13Å; K226-C228 VanDerWaalsContact C-N 3.31Å; K226-C228 PolarHBondContact O-N 3.34Å; C228-K232 WeakPolarHBondContact O-CB 3.35Å; C228-K232 VanDerWaalsContact O-CG 3.24Å; C228-K232 WeakPolarHBondContact O-CG 3.47Å; C228-K232 PolarHBondContact O-N 3.36Å; C228-K232 VanDerWaalsContact O-N 3.16Å; C228-K232 VanDerWaalsContact SG-CE 3.54Å |
| 229 | L | 95.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 80.5 Ų | 80.5 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.3 | -43 | 174.9 | -72.5 | 169 | 0 | 0 | 0 | 111.5 | L206 E209 Y210 L213 R225 K226 I227 K232 M233 | L206-L229 HydrophobicContact CD2-CD2 3.97Å; E209-L229 HydrophobicContact CB-CD2 4.41Å; Y210-L229 HydrophobicContact CD2-CB 4.14Å; L213-L229 HydrophobicContact CD1-CD1 4.02Å; L213-L229 HydrophobicContact CD2-CD1 4.3Å; L213-L229 HydrophobicContact CG-CD1 4.35Å; R225-L229 HydrophobicContact CG-CD1 4.32Å; R225-L229 WeakPolarHBondContact O-CG 3.44Å; R225-L229 PolarHBondContact O-N 3Å; R225-L229 VanDerWaalsContact O-N 3.11Å; K226-L229 WeakPolarHBondContact O-CB 3.3Å; K226-L229 PolarHBondContact O-N 3.38Å; K226-L229 VanDerWaalsContact O-N 3.1Å; I227-L229 VanDerWaalsContact C-N 3.3Å; I227-L229 PolarHBondContact O-N 2.85Å; L229-K232 PolarHBondContact O-N 2.89Å; L229-M233 WeakPolarHBondContact O-CB 3.37Å; L229-M233 WeakPolarHBondContact O-CG 3.49Å; L229-M233 PolarHBondContact O-N 3.12Å |
| 230 | E | 95.2 | Very high | 94.7 | Very high | 76 Ų | 76 | 78.3 Ų | 78.3 | 36% | 0.355 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.1 | -69.6 | 173.9 | 155.8 | 0 | 0 | 112.1 | Y210 K226 I227 M233 S234 | Y210-E230 HydrophobicContact CD2-CG 4.36Å; Y210-E230 HydrophobicContact CE2-CG 3.7Å; Y210-E230 PolarHBondContact OH-OE1 3.16Å; K226-E230 WeakPolarHBondContact CE-OE1 3.16Å; K226-E230 HydrophobicContact CG-CG 4.48Å; K226-E230 IonicContact NZ-OE1 2.78Å; K226-E230 WeakPolarHBondContact O-CG 3.28Å; K226-E230 PolarHBondContact O-N 3.5Å; I227-E230 PolarHBondContact O-N 3.29Å; E230-M233 PolarHBondContact O-N 2.98Å; E230-S234 WeakPolarHBondContact O-CB 3.28Å; E230-S234 PolarHBondContact O-N 3.4Å |
| 231 | E | 96.9 | Very high | 94.8 | Very high | 113 Ų | 113 | 75.4 Ų | 75.4 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 176.7 | -74.6 | 174.8 | 173.3 | 0 | 0 | 111.7 | I227 S234 Q235 | I227-E231 HydrophobicContact CG2-CG 4.33Å; I227-E231 WeakPolarHBondContact O-CG 3.45Å; I227-E231 PolarHBondContact O-N 3.27Å; E231-S234 PolarHBondContact O-N 3.27Å; E231-Q235 WeakPolarHBondContact O-CG 3.49Å; E231-Q235 PolarHBondContact O-N 3.46Å |
| 232 | K | 96 | Very high | 95 | Very high | 97 Ų | 97 | 75.6 Ų | 75.6 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 177.1 | -73 | 172.2 | 179.1 | 175.8 | 0 | 112 | L206 C228 L229 Q235 L236 | L206-K232 HydrophobicContact CD1-CB 3.81Å; C228-K232 WeakPolarHBondContact O-CB 3.35Å; C228-K232 VanDerWaalsContact O-CG 3.24Å; C228-K232 WeakPolarHBondContact O-CG 3.47Å; C228-K232 PolarHBondContact O-N 3.36Å; C228-K232 VanDerWaalsContact O-N 3.16Å; C228-K232 VanDerWaalsContact SG-CE 3.54Å; L229-K232 PolarHBondContact O-N 2.89Å; K232-Q235 PolarHBondContact O-N 3.06Å; K232-L236 WeakPolarHBondContact O-CG 3.48Å; K232-L236 PolarHBondContact O-N 3.05Å; K232-L236 VanDerWaalsContact O-N 3.09Å |
| 233 | M | 95.8 | Very high | 95 | Very high | 19 Ų | 19 | 73.5 Ų | 73.5 | 9% | 0.094 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 174.4 | -77.7 | -177.3 | 68.5 | 0 | 0 | 111.5 | W203 L206 H207 Y210 L229 E230 Q235 L236 E237 | W203-M233 HydrophobicContact CH2-CE 4.41Å; W203-M233 HydrophobicContact CZ2-CE 3.56Å; L206-M233 HydrophobicContact CB-CG 4.24Å; H207-M233 HydrophobicContact CB-CE 4.02Å; H207-M233 HydrophobicContact CB-SD 4.48Å; H207-M233 VanDerWaalsContact ND1-CE 3.27Å; H207-M233 WeakPolarHBondContact ND1-CE 3.43Å; Y210-M233 HydrophobicContact CG-SD 4.36Å; L229-M233 WeakPolarHBondContact O-CB 3.37Å; L229-M233 WeakPolarHBondContact O-CG 3.49Å; L229-M233 PolarHBondContact O-N 3.12Å; E230-M233 PolarHBondContact O-N 2.98Å; M233-Q235 VanDerWaalsContact C-N 3.31Å; M233-Q235 PolarHBondContact O-N 3.02Å; M233-L236 PolarHBondContact O-N 3.23Å; M233-E237 WeakPolarHBondContact O-CG 3.36Å; M233-E237 PolarHBondContact O-N 3.11Å |
| 234 | S | 97.2 | Very high | 94.9 | Very high | 44 Ų | 44 | 73.4 Ų | 73.4 | 31% | 0.308 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.4 | -35.4 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 112.7 | E230 E231 K238 | E230-S234 WeakPolarHBondContact O-CB 3.28Å; E230-S234 PolarHBondContact O-N 3.4Å; E231-S234 PolarHBondContact O-N 3.27Å; S234-K238 VanDerWaalsContact O-CG 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.41Å; S234-K238 PolarHBondContact O-N 3.43Å; S234-K238 VanDerWaalsContact O-N 3.13Å |
| 235 | Q | 96.3 | Very high | 94.8 | Very high | 113 Ų | 113 | 78.2 Ų | 78.2 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -50.2 | 172.9 | -73.9 | 170.7 | -0.4 | 0 | 0 | 111.1 | E231 K232 M233 E237 K238 D239 | E231-Q235 WeakPolarHBondContact O-CG 3.49Å; E231-Q235 PolarHBondContact O-N 3.46Å; K232-Q235 PolarHBondContact O-N 3.06Å; M233-Q235 VanDerWaalsContact C-N 3.31Å; M233-Q235 PolarHBondContact O-N 3.02Å; Q235-E237 VanDerWaalsContact C-N 3.28Å; Q235-E237 PolarHBondContact O-N 3.06Å; Q235-K238 WeakPolarHBondContact O-CB 3.43Å; Q235-K238 PolarHBondContact O-N 3.01Å; Q235-K238 VanDerWaalsContact O-N 3.12Å; Q235-D239 VanDerWaalsContact O-CG 3.29Å; Q235-D239 PolarHBondContact O-N 3.44Å |
| 236 | L | 96.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 76.3 Ų | 76.3 | 12% | 0.12 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 178 | -69.4 | 176.4 | 0 | 0 | 0 | 112.6 | L199 K202 W203 L206 K232 M233 D239 I240 | L199-L236 HydrophobicContact CD2-CD2 3.84Å; K202-L236 HydrophobicContact CB-CD1 4.2Å; W203-L236 HydrophobicContact CB-CB 4.45Å; W203-L236 HydrophobicContact CB-CD1 4.03Å; L206-L236 HydrophobicContact CD1-CD1 3.71Å; K232-L236 WeakPolarHBondContact O-CG 3.48Å; K232-L236 PolarHBondContact O-N 3.05Å; K232-L236 VanDerWaalsContact O-N 3.09Å; M233-L236 PolarHBondContact O-N 3.23Å; L236-D239 PolarHBondContact O-N 3.22Å; L236-I240 WeakPolarHBondContact O-CB 3.24Å; L236-I240 WeakPolarHBondContact O-CD1 3.26Å; L236-I240 WeakPolarHBondContact O-CG1 3.47Å; L236-I240 PolarHBondContact O-N 3.02Å |
| 237 | E | 96.1 | Very high | 94 | Very high | 94 Ų | 94 | 80 Ų | 80 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.1 | -74.9 | 168.8 | -170.7 | 0 | 0 | 112.5 | W203 M233 Q235 S241 | W203-E237 PolarHBondContact NE1-OE1 3.34Å; W203-E237 VanDerWaalsContact NE1-OE1 3.15Å; M233-E237 WeakPolarHBondContact O-CG 3.36Å; M233-E237 PolarHBondContact O-N 3.11Å; Q235-E237 VanDerWaalsContact C-N 3.28Å; Q235-E237 PolarHBondContact O-N 3.06Å; E237-S241 VanDerWaalsContact O-CB 3.27Å; E237-S241 WeakPolarHBondContact O-CB 3.17Å; E237-S241 PolarHBondContact O-N 3.45Å |
| 238 | K | 96.6 | Very high | 93.4 | Very high | 137 Ų | 137 | 79.1 Ų | 79.1 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 174.7 | -70.8 | 168.3 | -172.9 | 171.6 | 0 | 110.9 | S234 Q235 S241 F242 | S234-K238 VanDerWaalsContact O-CG 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.41Å; S234-K238 PolarHBondContact O-N 3.43Å; S234-K238 VanDerWaalsContact O-N 3.13Å; Q235-K238 WeakPolarHBondContact O-CB 3.43Å; Q235-K238 PolarHBondContact O-N 3.01Å; Q235-K238 VanDerWaalsContact O-N 3.12Å; K238-S241 PolarHBondContact O-N 3.1Å; K238-F242 WeakPolarHBondContact O-CB 3.3Å; K238-F242 PolarHBondContact O-N 2.91Å |
| 239 | D | 94.9 | Very high | 92.9 | Very high | 76 Ų | 76 | 78.1 Ų | 78.1 | 41% | 0.406 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -48.1 | 178.9 | -65.2 | -16.3 | 0 | 0 | 0 | 110.8 | L199 Q235 L236 S241 F242 F243 | L199-D239 HydrophobicContact CD2-CB 3.66Å; Q235-D239 VanDerWaalsContact O-CG 3.29Å; Q235-D239 PolarHBondContact O-N 3.44Å; L236-D239 PolarHBondContact O-N 3.22Å; D239-S241 VanDerWaalsContact C-N 3.32Å; D239-S241 PolarHBondContact O-N 3.05Å; D239-F242 WeakPolarHBondContact O-CB 3.21Å; D239-F242 PolarHBondContact O-N 3.06Å; D239-F243 WeakPolarHBondContact O-CD2 3.49Å; D239-F243 PolarHBondContact O-N 3.34Å |
| 240 | I | 95 | Very high | 92.3 | Very high | 20 Ų | 20 | 83.1 Ų | 83.1 | 10% | 0.103 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 175 | -68.8 | 163.7 | 0 | 0 | 0 | 110.3 | L199 K200 W203 L236 F242 F243 E244 | L199-I240 HydrophobicContact CB-CD1 4.24Å; L199-I240 HydrophobicContact CB-CG1 3.71Å; L199-I240 HydrophobicContact CD2-CG1 4.32Å; K200-I240 HydrophobicContact CG-CD1 4.03Å; W203-I240 HydrophobicContact CB-CD1 4.41Å; L236-I240 WeakPolarHBondContact O-CB 3.24Å; L236-I240 WeakPolarHBondContact O-CD1 3.26Å; L236-I240 WeakPolarHBondContact O-CG1 3.47Å; L236-I240 PolarHBondContact O-N 3.02Å; I240-F242 PolarHBondContact O-N 3.46Å; I240-F243 PolarHBondContact O-N 3.02Å; I240-E244 HydrophobicContact CG2-CG 4.26Å; I240-E244 WeakPolarHBondContact O-CB 3.43Å; I240-E244 WeakPolarHBondContact O-CG 3.43Å; I240-E244 PolarHBondContact O-N 2.92Å |
| 241 | S | 95.4 | Very high | 91.7 | Very high | 34 Ų | 34 | 82.8 Ų | 82.8 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.1 | -31.6 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 112.5 | E237 K238 D239 R245 | E237-S241 VanDerWaalsContact O-CB 3.27Å; E237-S241 WeakPolarHBondContact O-CB 3.17Å; E237-S241 PolarHBondContact O-N 3.45Å; K238-S241 PolarHBondContact O-N 3.1Å; D239-S241 VanDerWaalsContact C-N 3.32Å; D239-S241 PolarHBondContact O-N 3.05Å; S241-R245 WeakPolarHBondContact O-CB 3.37Å; S241-R245 WeakPolarHBondContact O-CD 3.38Å; S241-R245 WeakPolarHBondContact O-CG 3.4Å; S241-R245 PolarHBondContact O-N 3.47Å; S241-R245 VanDerWaalsContact O-N 3.15Å; S241-R245 PolarHBondContact OG-NE 2.9Å; S241-R245 PolarHBondContact OG-NH2 3Å |
| 242 | F | 93.4 | Very high | 90.8 | Very high | 97 Ų | 97 | 85.3 Ų | 85.3 | 43% | 0.425 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.7 | -52.2 | 176.1 | 176.7 | -92.6 | 0 | 0 | 0 | 110.2 | K238 D239 I240 E244 R245 F246 I249 | K238-F242 WeakPolarHBondContact O-CB 3.3Å; K238-F242 PolarHBondContact O-N 2.91Å; D239-F242 WeakPolarHBondContact O-CB 3.21Å; D239-F242 PolarHBondContact O-N 3.06Å; I240-F242 PolarHBondContact O-N 3.46Å; F242-E244 VanDerWaalsContact C-N 3.34Å; F242-E244 PolarHBondContact O-N 3.23Å; F242-R245 PolarHBondContact O-N 3.41Å; F242-F246 HydrophobicContact CD1-CD2 4.39Å; F242-F246 AromaticContact CD2-CD2 3.55Å; F242-F246 HydrophobicContact CD2-CD2 3.55Å; F242-F246 AromaticContact CD2-CE2 3.5Å; F242-F246 HydrophobicContact CD2-CE2 3.5Å; F242-F246 VanDerWaalsContact CD2-CE2 3.5Å; F242-F246 HydrophobicContact CE1-CD2 4.36Å; F242-F246 AromaticContact CE2-CD2 3.5Å; F242-F246 HydrophobicContact CE2-CD2 3.5Å; F242-F246 VanDerWaalsContact CE2-CD2 3.5Å; F242-F246 AromaticContact CE2-CE2 3.49Å; F242-F246 HydrophobicContact CE2-CE2 3.49Å; F242-F246 VanDerWaalsContact CE2-CE2 3.49Å; F242-F246 HydrophobicContact CG-CD2 4.01Å; F242-F246 HydrophobicContact CG-CE2 4.34Å; F242-F246 AromaticContact CZ-CD2 3.92Å; F242-F246 HydrophobicContact CZ-CD2 3.92Å; F242-F246 HydrophobicContact CZ-CE2 4.33Å; F242-F246 WeakPolarHBondContact O-CD2 3.32Å; F242-F246 PolarHBondContact O-N 3.09Å; F242-I249 HydrophobicContact CE1-CD1 4.12Å |
| 243 | F | 90.8 | Very high | 89.3 | Confident | 44 Ų | 44 | 86.7 Ų | 86.7 | 19% | 0.193 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 178.4 | -80.2 | -90.6 | 0 | 0 | 0 | 112.8 | L187 H192 V195 L199 D239 I240 I249 | L187-F243 HydrophobicContact CD2-CE1 4.48Å; H192-F243 AromaticContact CD2-CD1 3.61Å; H192-F243 PolarHBondContact CE1-O 3.02Å; H192-F243 AromaticContact NE2-CD1 3.54Å; H192-F243 PolarHBondContact NE2-O 3.49Å; H192-F243 VanDerWaalsContact NE2-O 3.1Å; V195-F243 HydrophobicContact CG1-CD1 4.4Å; V195-F243 HydrophobicContact CG1-CE1 4.02Å; V195-F243 HydrophobicContact CG1-CZ 4.09Å; L199-F243 HydrophobicContact CD1-CD2 4.23Å; L199-F243 HydrophobicContact CD1-CE2 4.48Å; D239-F243 WeakPolarHBondContact O-CD2 3.49Å; D239-F243 PolarHBondContact O-N 3.34Å; I240-F243 PolarHBondContact O-N 3.02Å; F243-I249 HydrophobicContact CD1-CD1 3.34Å; F243-I249 HydrophobicContact CE1-CD1 3.41Å; F243-I249 VanDerWaalsContact CE1-CD1 3.41Å; F243-I249 HydrophobicContact CG-CD1 4.1Å; F243-I249 HydrophobicContact CZ-CD1 4.22Å |
| 244 | E | 90.4 | Very high | 87.3 | Confident | 112 Ų | 112 | 96 Ų | 96 | 52% | 0.523 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.8 | -32.3 | 175.8 | -74.7 | -177.7 | 170.7 | 0 | 0 | 113.2 | L196 K200 I240 F242 | L196-E244 HydrophobicContact CD1-CG 3.76Å; K200-E244 WeakPolarHBondContact CE-OE1 3.45Å; K200-E244 IonicContact NZ-OE1 3.5Å; K200-E244 PolarHBondContact NZ-OE1 3.41Å; I240-E244 HydrophobicContact CG2-CG 4.26Å; I240-E244 WeakPolarHBondContact O-CB 3.43Å; I240-E244 WeakPolarHBondContact O-CG 3.43Å; I240-E244 PolarHBondContact O-N 2.92Å; F242-E244 VanDerWaalsContact C-N 3.34Å; F242-E244 PolarHBondContact O-N 3.23Å |
| 245 | R | 92.3 | Very high | 86.8 | Confident | 194 Ų | 194 | 98.6 Ų | 98.6 | 73% | 0.732 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -76.8 | -36.2 | 178.1 | -74.2 | 173 | -169.4 | -168 | 7.4 | 112.5 | S241 F242 | S241-R245 WeakPolarHBondContact O-CB 3.37Å; S241-R245 WeakPolarHBondContact O-CD 3.38Å; S241-R245 WeakPolarHBondContact O-CG 3.4Å; S241-R245 PolarHBondContact O-N 3.47Å; S241-R245 VanDerWaalsContact O-N 3.15Å; S241-R245 PolarHBondContact OG-NE 2.9Å; S241-R245 PolarHBondContact OG-NH2 3Å; F242-R245 PolarHBondContact O-N 3.41Å |
| 246 | F | 88.4 | Confident | 86.3 | Confident | 104 Ų | 104 | 97.8 Ų | 97.8 | 46% | 0.456 | 46% | 0.459 | S | S | . | . | trans | -108.5 | 99.7 | -173.3 | -60.8 | -67 | 0 | 0 | 0 | 111.9 | F242 T248 I249 | F242-F246 HydrophobicContact CD1-CD2 4.39Å; F242-F246 AromaticContact CD2-CD2 3.55Å; F242-F246 HydrophobicContact CD2-CD2 3.55Å; F242-F246 AromaticContact CD2-CE2 3.5Å; F242-F246 HydrophobicContact CD2-CE2 3.5Å; F242-F246 VanDerWaalsContact CD2-CE2 3.5Å; F242-F246 HydrophobicContact CE1-CD2 4.36Å; F242-F246 AromaticContact CE2-CD2 3.5Å; F242-F246 HydrophobicContact CE2-CD2 3.5Å; F242-F246 VanDerWaalsContact CE2-CD2 3.5Å; F242-F246 AromaticContact CE2-CE2 3.49Å; F242-F246 HydrophobicContact CE2-CE2 3.49Å; F242-F246 VanDerWaalsContact CE2-CE2 3.49Å; F242-F246 HydrophobicContact CG-CD2 4.01Å; F242-F246 HydrophobicContact CG-CE2 4.34Å; F242-F246 AromaticContact CZ-CD2 3.92Å; F242-F246 HydrophobicContact CZ-CD2 3.92Å; F242-F246 HydrophobicContact CZ-CE2 4.33Å; F242-F246 WeakPolarHBondContact O-CD2 3.32Å; F242-F246 PolarHBondContact O-N 3.09Å; F246-T248 VanDerWaalsContact C-N 3.3Å; F246-T248 PolarHBondContact O-N 2.96Å; F246-I249 HydrophobicContact CB-CG1 4.24Å | ||
| 247 | K | 81.9 | Confident | 85.7 | Confident | 144 Ų | 144 | 102 Ų | 102 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -70.4 | -23.1 | 177.8 | -172.9 | 168.4 | -175.8 | 173.2 | 0 | 114.3 | E189 | E189-K247 WeakPolarHBondContact OE2-CE 3.26Š|
| 248 | T | 81.9 | Confident | 85.1 | Confident | 64 Ų | 64 | 102.5 Ų | 102.5 | 39% | 0.393 | 48% | 0.48 | S | S | . | . | trans | -120.3 | 109.8 | -179.7 | -51.8 | 0 | 0 | 0 | 0 | 108.5 | R186 F246 F250 | R186-T248 HydrophobicContact CG-CG2 4.17Å; F246-T248 VanDerWaalsContact C-N 3.3Å; F246-T248 PolarHBondContact O-N 2.96Å; T248-F250 HydrophobicContact CG2-CE1 4.43Å; T248-F250 HydrophobicContact CG2-CE2 3.79Å; T248-F250 HydrophobicContact CG2-CZ 3.74Å | ||
| 249 | I | 85.3 | Confident | 84.4 | Confident | 27 Ų | 27 | 100.3 Ų | 100.3 | 14% | 0.138 | 47% | 0.472 | C | S | . | . | trans | -117.6 | 133.4 | 177.5 | -58.1 | 173.1 | 0 | 0 | 0 | 107.7 | L187 F242 F243 F246 | L187-I249 PolarHBondContact N-O 3.43Å; F242-I249 HydrophobicContact CE1-CD1 4.12Å; F243-I249 HydrophobicContact CD1-CD1 3.34Å; F243-I249 HydrophobicContact CE1-CD1 3.41Å; F243-I249 VanDerWaalsContact CE1-CD1 3.41Å; F243-I249 HydrophobicContact CG-CD1 4.1Å; F243-I249 HydrophobicContact CZ-CD1 4.22Å; F246-I249 HydrophobicContact CB-CG1 4.24Å | ||
| 250 | F | 82.9 | Confident | 83.7 | Confident | 113 Ų | 113 | 101.9 Ų | 101.9 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.4 | 176.5 | -64.6 | -78.5 | 0 | 0 | 0 | 108.5 | L184 R186 T248 | L184-F250 HydrophobicContact CB-CB 3.81Å; L184-F250 HydrophobicContact CB-CD1 3.96Å; L184-F250 HydrophobicContact CB-CG 4.23Å; L184-F250 HydrophobicContact CD1-CB 3.96Å; L184-F250 HydrophobicContact CD1-CG 4.49Å; R186-F250 HydrophobicContact CB-CD1 4.11Å; R186-F250 HydrophobicContact CB-CE1 4.03Å; R186-F250 HydrophobicContact CG-CE1 4.45Å; T248-F250 HydrophobicContact CG2-CE1 4.43Å; T248-F250 HydrophobicContact CG2-CE2 3.79Å; T248-F250 HydrophobicContact CG2-CZ 3.74Å |
| 251 | I | 81.6 | Confident | 82.9 | Confident | 69 Ų | 69 | 107.8 Ų | 107.8 | 35% | 0.354 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133 | 175.9 | -62.2 | 173.3 | 0 | 0 | 0 | 108 | Q185 L187 | Q185-I251 PolarHBondContact N-O 3.44Å; Q185-I251 PolarHBondContact O-N 3.49Å; L187-I251 HydrophobicContact CB-CD1 4.42Å; L187-I251 HydrophobicContact CD1-CD1 3.77Å |
| 252 | Y | 77.8 | Confident | 81.9 | Confident | 166 Ų | 166 | 113.5 Ų | 113.5 | 65% | 0.651 | 52% | 0.524 | S | S | * | . | trans | -102.6 | 118.7 | 168.5 | -167.5 | -92.5 | 0 | 0 | 0 | 106.8 | L184 D254 | L184-Y252 HydrophobicContact CD2-CD2 3.54Å; L184-Y252 HydrophobicContact CD2-CE2 4.18Å; Y252-D254 HydrophobicContact CD1-CB 4.48Å; Y252-D254 WeakPolarHBondContact CE1-OD1 3.38Å | ||
| 253 | D | 65.8 | Low | 81 | Confident | 127 Ų | 127 | 114.8 Ų | 114.8 | 68% | 0.679 | 53% | 0.532 | S | S | * | . | trans | -83.1 | 115.1 | 169.8 | -77.2 | -19.5 | 0 | 0 | 0 | 107.6 | ||||
| 254 | D | 53 | Low | 80.1 | Confident | 214 Ų | 214 | 121.3 Ų | 121.3 | 100% | 1.144 | 56% | 0.563 | S | S | * | * | trans | -97.5 | 0 | 167.3 | -113.8 | -14.2 | 0 | 0 | 0 | 109.7 | Y252 | Y252-D254 HydrophobicContact CD1-CB 4.48Å; Y252-D254 WeakPolarHBondContact CE1-OD1 3.38Å |
Retrieved 254 of 254 residues in 114.4 ms
(Link to these results)