| 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 | 56.2 | Low | 231 Ų | 231 | 158.4 Ų | 158.4 | 100% | 1.138 | 85% | 0.852 | S | S | * | * | 0 | 109.8 | 0 | -77.1 | -67.2 | 179.5 | 0 | 0 | 106.6 | |||||
| 2 | P | 48.2 | Very low | 56.9 | Low | 128 Ų | 128 | 151.8 Ų | 151.8 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | trans | -85.4 | 132.7 | 176 | 31.8 | -27.4 | 0 | 0 | 0 | 110.5 | ||||
| 3 | E | 47.4 | Very low | 57.8 | Low | 188 Ų | 188 | 148.9 Ų | 148.9 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -63 | 134.5 | 176.2 | -63.7 | -92.8 | 143.3 | 0 | 0 | 110.6 | E5 | E3-E5 PolarHBondContact O-N 3.37Š| ||
| 4 | T | 51 | Low | 57.7 | Low | 128 Ų | 128 | 153.3 Ų | 153.3 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | trans | -83.7 | 109.9 | 174.9 | 50 | 0 | 0 | 0 | 0 | 109.8 | S6 | T4-S6 PolarHBondContact O-N 3.13Š| ||
| 5 | E | 56.4 | Low | 57.8 | Low | 175 Ų | 175 | 148.5 Ų | 148.5 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -66.4 | 114 | 171.2 | -68.9 | -179.3 | 170.3 | 0 | 0 | 110.5 | E3 Y7 | E3-E5 PolarHBondContact O-N 3.37Å; E5-Y7 PolarHBondContact O-N 2.84Å | ||
| 6 | S | 59.2 | Low | 57.4 | Low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -73.5 | 102.8 | 176 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | T4 S8 | T4-S6 PolarHBondContact O-N 3.13Å; S6-S8 PolarHBondContact O-N 3.13Å | ||
| 7 | Y | 47.3 | Very low | 57.1 | Low | 228 Ų | 228 | 150.5 Ų | 150.5 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | trans | -66.8 | 110.5 | 167.6 | -101.2 | -97.3 | 0 | 0 | 0 | 109.9 | E5 | E5-Y7 PolarHBondContact O-N 2.84Š| ||
| 8 | S | 66.5 | Low | 56.9 | Low | 109 Ų | 109 | 148.8 Ų | 148.8 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 134.9 | 167.4 | 87.3 | 0 | 0 | 0 | 0 | 110 | S6 | S6-S8 PolarHBondContact O-N 3.13Š|
| 9 | N | 64.4 | Low | 56.6 | Low | 154 Ų | 154 | 148 Ų | 148 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 135.5 | 179.4 | -155.1 | 35.7 | 0 | 0 | 0 | 109.1 | ||
| 10 | P | 68.6 | Low | 56 | Low | 113 Ų | 113 | 146.3 Ų | 146.3 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 142.4 | -175.2 | 25 | -33.9 | 0 | 0 | 0 | 112.1 | ||
| 11 | L | 65.9 | Low | 55.7 | Low | 173 Ų | 173 | 146.9 Ų | 146.9 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 139.1 | 179.2 | -144.7 | 75.2 | 0 | 0 | 0 | 110.5 | ||
| 12 | A | 65.1 | Low | 56 | Low | 80 Ų | 80 | 145.8 Ų | 145.8 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 148.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 13 | P | 69 | Low | 55.9 | Low | 114 Ų | 114 | 144.3 Ų | 144.3 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.3 | -178.7 | -19.9 | 31.2 | 0 | 0 | 0 | 113 | G15 | P13-G15 PolarHBondContact O-N 2.67Š|
| 14 | E | 55.7 | Low | 56 | Low | 210 Ų | 210 | 138.6 Ų | 138.6 | 98% | 0.981 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 115.8 | 173.8 | -95 | 171.3 | 157.1 | 0 | 0 | 110.5 | ||
| 15 | G | 60.1 | Low | 55.8 | Low | 82 Ų | 82 | 136.5 Ų | 136.5 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.2 | -4.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P13 E17 | P13-G15 PolarHBondContact O-N 2.67Å; G15-E17 PolarHBondContact O-N 3.09Å |
| 16 | H | 50.3 | Low | 55.5 | Low | 155 Ų | 155 | 136.7 Ų | 136.7 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | -88.3 | 99.3 | 172.6 | -155.2 | -21.9 | 0 | 0 | 0 | 110 | V18 | H16-V18 PolarHBondContact O-N 3.09Å; H16-V18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | E | 53.4 | Low | 55.4 | Low | 175 Ų | 175 | 135.2 Ų | 135.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -60.6 | 113.3 | 160.2 | -71.6 | -169.3 | 160.4 | 0 | 0 | 107.1 | G15 D19 | G15-E17 PolarHBondContact O-N 3.09Å; E17-D19 PolarHBondContact O-N 3.36Å | ||
| 18 | V | 53 | Low | 56 | Low | 120 Ų | 120 | 133.5 Ų | 133.5 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -82.1 | 103.2 | 166.8 | -76.1 | 0 | 0 | 0 | 0 | 106 | H16 D20 | H16-V18 PolarHBondContact O-N 3.09Å; H16-V18 VanDerWaalsContact O-N 3.08Å; V18-D20 PolarHBondContact O-N 3.05Å | ||
| 19 | D | 51.3 | Low | 56.4 | Low | 134 Ų | 134 | 134.9 Ų | 134.9 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | -54.1 | 110.9 | 162.6 | -88.3 | -51.6 | 0 | 0 | 0 | 107.1 | E17 H21 | E17-D19 PolarHBondContact O-N 3.36Å; D19-H21 VanDerWaalsContact C-N 3.27Å; D19-H21 PolarHBondContact O-CD2 2.78Å; D19-H21 PolarHBondContact O-N 3.43Å | ||
| 20 | D | 43.9 | Very low | 57.2 | Low | 114 Ų | 114 | 131.4 Ų | 131.4 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | trans | -68 | 89.2 | -177.2 | -158.8 | -6.4 | 0 | 0 | 0 | 108.2 | V18 R22 S23 | V18-D20 PolarHBondContact O-N 3.05Å; D20-R22 PolarHBondContact O-N 2.81Å; D20-S23 PolarHBondContact O-N 3.35Å; D20-S23 VanDerWaalsContact O-N 3.09Å | ||
| 21 | H | 49.8 | Very low | 57.6 | Low | 158 Ų | 158 | 132.1 Ų | 132.1 | 73% | 0.731 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -1.3 | -178.7 | -72.9 | -62.6 | 0 | 0 | 0 | 113.5 | D19 S23 | D19-H21 VanDerWaalsContact C-N 3.27Å; D19-H21 PolarHBondContact O-CD2 2.78Å; D19-H21 PolarHBondContact O-N 3.43Å; H21-S23 VanDerWaalsContact C-N 3.29Å |
| 22 | R | 48.7 | Very low | 58.3 | Low | 209 Ų | 209 | 128.5 Ų | 128.5 | 79% | 0.789 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -23.8 | 169.5 | -75.1 | -177.8 | 166.1 | -164.7 | -2.3 | 113.5 | D20 | D20-R22 PolarHBondContact O-N 2.81Š|
| 23 | S | 46.5 | Very low | 59 | Low | 96 Ų | 96 | 127.9 Ų | 127.9 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -80 | -20.8 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | D20 H21 A25 | D20-S23 PolarHBondContact O-N 3.35Å; D20-S23 VanDerWaalsContact O-N 3.09Å; H21-S23 VanDerWaalsContact C-N 3.29Å; S23-A25 VanDerWaalsContact C-N 3.32Å |
| 24 | A | 49.1 | Very low | 59.4 | Low | 69 Ų | 69 | 128.2 Ų | 128.2 | 57% | 0.57 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -79.3 | -13.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q26 | A24-Q26 VanDerWaalsContact C-N 3.34Å; A24-Q26 PolarHBondContact O-N 2.81Å |
| 25 | A | 47.4 | Very low | 60.9 | Low | 83 Ų | 83 | 125.8 Ų | 125.8 | 69% | 0.686 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -84.3 | -1.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S23 | S23-A25 VanDerWaalsContact C-N 3.32Š|
| 26 | Q | 49.5 | Very low | 61.9 | Low | 179 Ų | 179 | 128.8 Ų | 128.8 | 84% | 0.836 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -96.3 | -12.9 | -180 | -69.5 | -167.1 | -7 | 0 | 0 | 114.7 | A24 K28 | A24-Q26 VanDerWaalsContact C-N 3.34Å; A24-Q26 PolarHBondContact O-N 2.81Å; Q26-K28 PolarHBondContact O-N 3.2Å; Q26-K28 VanDerWaalsContact O-N 3.14Å |
| 27 | S | 59.1 | Low | 63.2 | Low | 85 Ų | 85 | 127.3 Ų | 127.3 | 59% | 0.594 | 66% | 0.656 | S | S | * | * | trans | -86.8 | 87.2 | 174 | 69.5 | 0 | 0 | 0 | 0 | 110.3 | L29 | S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact O-N 3.5Å | ||
| 28 | K | 59.2 | Low | 64.4 | Low | 192 Ų | 192 | 124.5 Ų | 124.5 | 84% | 0.835 | 65% | 0.646 | S | S | * | * | trans | -66.8 | 91.1 | 165.6 | -69.3 | 178.2 | -177.5 | 179.4 | 0 | 108.2 | Q26 T30 | Q26-K28 PolarHBondContact O-N 3.2Å; Q26-K28 VanDerWaalsContact O-N 3.14Å; K28-T30 PolarHBondContact O-N 3.07Å | ||
| 29 | L | 73.7 | Confident | 65.7 | Low | 137 Ų | 137 | 126.5 Ų | 126.5 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | trans | -52.9 | 126.4 | 171.7 | -71.3 | 155.1 | 0 | 0 | 0 | 108.7 | S27 D33 | S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact O-N 3.5Å; L29-D33 HydrophobicContact CB-CB 4.45Å; L29-D33 HydrophobicContact CD2-CB 3.89Å | ||
| 30 | T | 81.4 | Confident | 66.9 | Low | 82 Ų | 82 | 124.3 Ų | 124.3 | 50% | 0.503 | 64% | 0.641 | S | S | . | * | trans | -87.2 | 164.5 | -177.9 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | K28 D32 D33 F34 | K28-T30 PolarHBondContact O-N 3.07Å; T30-D32 PolarHBondContact O-N 3.5Å; T30-D33 WeakPolarHBondContact O-CB 3.48Å; T30-D33 PolarHBondContact O-N 3.45Å; T30-F34 PolarHBondContact O-N 2.94Å | ||
| 31 | N | 77.1 | Confident | 67.6 | Low | 128 Ų | 128 | 124.8 Ų | 124.8 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -56.1 | -25 | 176.6 | -94.7 | -34.8 | 0 | 0 | 0 | 113 | F34 R35 | N31-F34 PolarHBondContact O-N 3.27Å; N31-R35 WeakPolarHBondContact O-CG 3.18Å; N31-R35 PolarHBondContact O-N 2.81Å |
| 32 | D | 80.4 | Confident | 68.1 | Low | 96 Ų | 96 | 128.8 Ų | 128.8 | 51% | 0.513 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -75.1 | -29.8 | 175.7 | -75.4 | -20.3 | 0 | 0 | 0 | 113 | T30 F34 R35 K36 | T30-D32 PolarHBondContact O-N 3.5Å; D32-F34 VanDerWaalsContact C-N 3.34Å; D32-R35 PolarHBondContact O-N 3.31Å; D32-R35 IonicContact OD1-CZ 3.19Å; D32-R35 IonicContact OD1-NH1 3.61Å; D32-R35 PolarHBondContact OD1-NH1 2.91Å; D32-K36 PolarHBondContact O-N 3.13Å |
| 33 | D | 81.4 | Confident | 68.6 | Low | 68 Ų | 68 | 123.1 Ų | 123.1 | 36% | 0.364 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -69.7 | -34.3 | 170.7 | -73 | -36.2 | 0 | 0 | 0 | 111.6 | L29 T30 K36 L37 | L29-D33 HydrophobicContact CB-CB 4.45Å; L29-D33 HydrophobicContact CD2-CB 3.89Å; T30-D33 WeakPolarHBondContact O-CB 3.48Å; T30-D33 PolarHBondContact O-N 3.45Å; D33-K36 PolarHBondContact O-N 3.34Å; D33-L37 WeakPolarHBondContact O-CB 3.22Å; D33-L37 PolarHBondContact O-N 3.26Å |
| 34 | F | 76.1 | Confident | 69 | Low | 120 Ų | 120 | 124.7 Ų | 124.7 | 53% | 0.526 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -67.1 | -40.3 | 173.6 | -172.9 | -101.2 | 0 | 0 | 0 | 112.1 | T30 N31 D32 K36 L37 L38 | T30-F34 PolarHBondContact O-N 2.94Å; N31-F34 PolarHBondContact O-N 3.27Å; D32-F34 VanDerWaalsContact C-N 3.34Å; F34-K36 VanDerWaalsContact C-N 3.33Å; F34-L37 WeakPolarHBondContact O-CB 3.49Å; F34-L37 PolarHBondContact O-N 2.79Å; F34-L38 HydrophobicContact CD1-CD1 3.75Å; F34-L38 HydrophobicContact CE1-CD1 3.36Å; F34-L38 HydrophobicContact CE1-CG 4.23Å; F34-L38 HydrophobicContact CZ-CD1 4Å; F34-L38 HydrophobicContact CZ-CG 4.47Å; F34-L38 PolarHBondContact O-N 3.42Å; F34-L38 VanDerWaalsContact O-N 3.08Å |
| 35 | R | 86.6 | Confident | 69.3 | Low | 159 Ų | 159 | 127.2 Ų | 127.2 | 60% | 0.6 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -63.5 | -39.4 | 173.1 | -72.4 | 169.9 | 178.8 | 164 | -6 | 111.7 | N31 D32 L38 M39 | N31-R35 WeakPolarHBondContact O-CG 3.18Å; N31-R35 PolarHBondContact O-N 2.81Å; D32-R35 PolarHBondContact O-N 3.31Å; D32-R35 IonicContact OD1-CZ 3.19Å; D32-R35 IonicContact OD1-NH1 3.61Å; D32-R35 PolarHBondContact OD1-NH1 2.91Å; R35-L38 PolarHBondContact O-N 3.01Å; R35-M39 VanDerWaalsContact O-CG 3.28Å; R35-M39 WeakPolarHBondContact O-CG 3.15Å; R35-M39 PolarHBondContact O-N 3.34Å |
| 36 | K | 81.1 | Confident | 69.6 | Low | 146 Ų | 146 | 128.7 Ų | 128.7 | 64% | 0.635 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -62.5 | -42.9 | 173.1 | -98.1 | 178.6 | 174.6 | 174.7 | 0 | 112.3 | D32 D33 F34 L38 M39 T40 | D32-K36 PolarHBondContact O-N 3.13Å; D33-K36 PolarHBondContact O-N 3.34Å; F34-K36 VanDerWaalsContact C-N 3.33Å; K36-L38 VanDerWaalsContact C-N 3.27Å; K36-L38 PolarHBondContact O-N 3.45Å; K36-M39 PolarHBondContact O-N 2.88Å; K36-T40 PolarHBondContact O-N 2.75Å; K36-T40 PolarHBondContact O-OG1 3.47Å; K36-T40 VanDerWaalsContact O-OG1 3.06Å |
| 37 | L | 78.8 | Confident | 69.5 | Low | 124 Ų | 124 | 125.3 Ų | 125.3 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -62.3 | -33.6 | 177.6 | -166.1 | 92.2 | 0 | 0 | 0 | 112.6 | D33 F34 T40 | D33-L37 WeakPolarHBondContact O-CB 3.22Å; D33-L37 PolarHBondContact O-N 3.26Å; F34-L37 WeakPolarHBondContact O-CB 3.49Å; F34-L37 PolarHBondContact O-N 2.79Å; L37-T40 PolarHBondContact O-OG1 2.88Å |
| 38 | L | 79 | Confident | 68.9 | Low | 116 Ų | 116 | 125.6 Ų | 125.6 | 61% | 0.607 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -76.8 | -25.4 | 177 | -78.5 | 167.5 | 0 | 0 | 0 | 113.2 | F34 R35 K36 | F34-L38 HydrophobicContact CD1-CD1 3.75Å; F34-L38 HydrophobicContact CE1-CD1 3.36Å; F34-L38 HydrophobicContact CE1-CG 4.23Å; F34-L38 HydrophobicContact CZ-CD1 4Å; F34-L38 HydrophobicContact CZ-CG 4.47Å; F34-L38 PolarHBondContact O-N 3.42Å; F34-L38 VanDerWaalsContact O-N 3.08Å; R35-L38 PolarHBondContact O-N 3.01Å; K36-L38 VanDerWaalsContact C-N 3.27Å; K36-L38 PolarHBondContact O-N 3.45Å |
| 39 | M | 80.1 | Confident | 68.4 | Low | 162 Ų | 162 | 121.7 Ų | 121.7 | 80% | 0.798 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -93.3 | -15.4 | -179 | -66.6 | -67.3 | 160.5 | 0 | 0 | 113.1 | R35 K36 P41 | R35-M39 VanDerWaalsContact O-CG 3.28Å; R35-M39 WeakPolarHBondContact O-CG 3.15Å; R35-M39 PolarHBondContact O-N 3.34Å; K36-M39 PolarHBondContact O-N 2.88Å; M39-P41 WeakPolarHBondContact O-CD 3.01Å |
| 40 | T | 75.6 | Confident | 67.1 | Low | 88 Ų | 88 | 121.2 Ų | 121.2 | 54% | 0.54 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -83.9 | 117.6 | 173.6 | 42.7 | 0 | 0 | 0 | 0 | 110.5 | K36 L37 R42 | K36-T40 PolarHBondContact O-N 2.75Å; K36-T40 PolarHBondContact O-OG1 3.47Å; K36-T40 VanDerWaalsContact O-OG1 3.06Å; L37-T40 PolarHBondContact O-OG1 2.88Å; T40-R42 PolarHBondContact O-N 2.95Å |
| 41 | P | 59.3 | Low | 65.3 | Low | 124 Ų | 124 | 124.1 Ų | 124.1 | 81% | 0.805 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 124.6 | 175.8 | 23.9 | -31.1 | 0 | 0 | 0 | 109.4 | M39 A43 | M39-P41 WeakPolarHBondContact O-CD 3.01Å; P41-A43 PolarHBondContact O-N 3.26Å |
| 42 | R | 60.1 | Low | 63.7 | Low | 241 Ų | 241 | 127.5 Ų | 127.5 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118.1 | -177.3 | -175.9 | 174.5 | 174.7 | 179.4 | -1.7 | 110.3 | T40 T44 | T40-R42 PolarHBondContact O-N 2.95Å; R42-T44 PolarHBondContact O-N 2.82Å |
| 43 | A | 59 | Low | 62.2 | Low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 129.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P41 | P41-A43 PolarHBondContact O-N 3.26Š|
| 44 | T | 54.8 | Low | 60.5 | Low | 128 Ų | 128 | 136.8 Ų | 136.8 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 128.5 | 173.4 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | R42 | R42-T44 PolarHBondContact O-N 2.82Š|
| 45 | P | 55.7 | Low | 58.8 | Low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -69 | 136.4 | 179.6 | 27.2 | -33.1 | 0 | 0 | 0 | 111.8 | S47 | P45-S47 PolarHBondContact O-N 3.41Š|
| 46 | A | 53.2 | Low | 56.8 | Low | 114 Ų | 114 | 140.9 Ų | 140.9 | 94% | 0.942 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -89.8 | 27.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 47 | S | 48.6 | Very low | 55.4 | Low | 107 Ų | 107 | 142.5 Ų | 142.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -142 | 117.1 | 178 | -172 | 0 | 0 | 0 | 0 | 111.5 | P45 | P45-S47 PolarHBondContact O-N 3.41Š| ||
| 48 | A | 46.7 | Very low | 54 | Low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 136.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 49 | P | 47.6 | Very low | 52.9 | Low | 111 Ų | 111 | 144.1 Ų | 144.1 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 151.6 | 169.9 | 32.4 | -30.5 | 0 | 0 | 0 | 110.8 | T51 | P49-T51 PolarHBondContact O-N 2.81Š|
| 50 | P | 47.2 | Very low | 52 | Low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 134.4 | -174.3 | 27 | -33.8 | 0 | 0 | 0 | 112 | K52 | P50-K52 PolarHBondContact O-N 3.41Š|
| 51 | T | 42.3 | Very low | 51 | Low | 143 Ų | 143 | 151.3 Ų | 151.3 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -66.3 | 111.8 | 178.1 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | P49 | P49-T51 PolarHBondContact O-N 2.81Š| ||
| 52 | K | 43.4 | Very low | 50.8 | Low | 198 Ų | 198 | 154.3 Ų | 154.3 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | trans | -92.2 | 123 | 155.2 | -80.8 | -176.3 | 177.5 | 178.9 | 0 | 108.4 | P50 R54 | P50-K52 PolarHBondContact O-N 3.41Å; K52-R54 PolarHBondContact O-N 2.9Å | ||
| 53 | S | 50 | Low | 50.7 | Low | 120 Ų | 120 | 147.5 Ų | 147.5 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -55.7 | 116.6 | 174.4 | 43 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 54 | R | 45.5 | Very low | 50.7 | Low | 239 Ų | 239 | 148.2 Ų | 148.2 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -115.4 | 132.5 | 154.1 | -81.7 | 178.7 | 86.3 | 170.5 | 3.6 | 107.6 | K52 | K52-R54 PolarHBondContact O-N 2.9Š| ||
| 55 | H | 39.8 | Very low | 50.9 | Low | 187 Ų | 187 | 145.9 Ų | 145.9 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | -46.3 | 135 | -179.1 | -74.7 | -106.2 | 0 | 0 | 0 | 112 | E57 | H55-E57 PolarHBondContact O-N 3.4Š| ||
| 56 | H | 44.3 | Very low | 51.1 | Low | 178 Ų | 178 | 147.9 Ų | 147.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -74.1 | 96.4 | 171.7 | -164.9 | 75.3 | 0 | 0 | 0 | 108.2 | ||||
| 57 | E | 52.7 | Low | 52.2 | Low | 181 Ų | 181 | 145.3 Ų | 145.3 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -90.3 | 138.7 | 157.4 | -84.6 | -174.7 | 166.3 | 0 | 0 | 108.6 | H55 | H55-E57 PolarHBondContact O-N 3.4Š| ||
| 58 | M | 49.3 | Very low | 53.3 | Low | 156 Ų | 156 | 144.8 Ų | 144.8 | 77% | 0.768 | 74% | 0.739 | S | S | * | * | trans | -45.7 | 145.6 | -178.6 | -64.3 | -75.1 | -77.6 | 0 | 0 | 112.3 | R60 | M58-R60 PolarHBondContact O-N 3.44Š| ||
| 59 | P | 55.3 | Low | 54.6 | Low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | trans | -57.1 | 103 | 170.6 | -21.3 | 32.6 | 0 | 0 | 0 | 109.9 | D61 | P59-D61 PolarHBondContact O-N 3.37Š| ||
| 60 | R | 62.1 | Low | 56 | Low | 237 Ų | 237 | 138 Ų | 138 | 89% | 0.894 | 69% | 0.692 | S | S | * | * | trans | -68.8 | 120.7 | 159.4 | -95 | -178.7 | 171.1 | 167.5 | -1.8 | 106.2 | M58 Y62 | M58-R60 PolarHBondContact O-N 3.44Å; R60-Y62 PolarHBondContact O-N 3.07Å | ||
| 61 | D | 55 | Low | 57.3 | Low | 164 Ų | 164 | 139.5 Ų | 139.5 | 88% | 0.877 | 68% | 0.681 | S | S | * | * | trans | -49.9 | 110.9 | 167.6 | -89.4 | -38.2 | 0 | 0 | 0 | 108.7 | P59 N63 | P59-D61 PolarHBondContact O-N 3.37Å; D61-N63 PolarHBondContact O-N 3.47Å; D61-N63 VanDerWaalsContact O-N 3.08Å | ||
| 62 | Y | 53.7 | Low | 58.9 | Low | 187 Ų | 187 | 142.5 Ų | 142.5 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | trans | -75.6 | 98.9 | 177.5 | -163.7 | -91.1 | 0 | 0 | 0 | 107.4 | R60 E64 | R60-Y62 PolarHBondContact O-N 3.07Å; Y62-E64 PolarHBondContact O-N 2.98Å; Y62-E64 VanDerWaalsContact O-N 3.09Å | ||
| 63 | N | 59.4 | Low | 60.5 | Low | 97 Ų | 97 | 142.6 Ų | 142.6 | 52% | 0.519 | 67% | 0.671 | S | S | . | * | trans | -77.6 | 97.4 | 177.7 | -152 | -25.3 | 0 | 0 | 0 | 109 | D61 D65 E66 | D61-N63 PolarHBondContact O-N 3.47Å; D61-N63 VanDerWaalsContact O-N 3.08Å; N63-D65 PolarHBondContact O-N 3.44Å; N63-E66 PolarHBondContact O-N 2.78Å; N63-E66 VanDerWaalsContact O-N 3.11Å | ||
| 64 | E | 57.9 | Low | 62 | Low | 106 Ų | 106 | 140.8 Ų | 140.8 | 50% | 0.495 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.3 | -12.7 | -177.7 | -153.2 | -169.6 | -157.1 | 0 | 0 | 112.9 | Y62 A70 K74 | Y62-E64 PolarHBondContact O-N 2.98Å; Y62-E64 VanDerWaalsContact O-N 3.09Å; E64-A70 HydrophobicContact CG-CB 3.93Å; E64-A70 WeakPolarHBondContact O-CB 3.36Å; E64-K74 WeakPolarHBondContact OE2-CE 3.28Å; E64-K74 IonicContact OE2-NZ 2.9Å; E64-K74 PolarHBondContact OE2-NZ 3.26Å |
| 65 | D | 59.4 | Low | 63.7 | Low | 79 Ų | 79 | 135.8 Ų | 135.8 | 42% | 0.422 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | -7.1 | 179.1 | -64.4 | -29 | 0 | 0 | 0 | 114.2 | N63 R71 K74 | N63-D65 PolarHBondContact O-N 3.44Å; D65-R71 PolarHBondContact O-NE 3.48Å; D65-R71 PolarHBondContact O-NH2 2.96Å; D65-K74 IonicContact OD1-NZ 2.8Å; D65-K74 PolarHBondContact OD1-NZ 3.48Å |
| 66 | E | 59.2 | Low | 65.8 | Low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -93 | -15.4 | 173.2 | -71.6 | -169.7 | 164.2 | 0 | 0 | 113.6 | N63 P68 | N63-E66 PolarHBondContact O-N 2.78Å; N63-E66 VanDerWaalsContact O-N 3.11Å; E66-P68 VanDerWaalsContact O-CD 3.28Å; E66-P68 WeakPolarHBondContact O-CD 3.14Å |
| 67 | D | 75.9 | Confident | 67.4 | Low | 59 Ų | 59 | 129.3 Ų | 129.3 | 32% | 0.316 | 61% | 0.607 | S | S | . | * | trans | -82.5 | 115.2 | 178.8 | -174.2 | -7.8 | 0 | 0 | 0 | 111.5 | A69 A70 R71 | D67-A69 PolarHBondContact O-N 3.29Å; D67-A69 VanDerWaalsContact O-N 3.14Å; D67-A69 WeakPolarHBondContact OD1-CB 3.37Å; D67-A69 PolarHBondContact OD1-N 3.33Å; D67-A70 HydrophobicContact CB-CB 3.99Å; D67-A70 PolarHBondContact O-N 3.27Å; D67-R71 PolarHBondContact O-N 3.21Å; D67-R71 VanDerWaalsContact O-N 3.15Å | ||
| 68 | P | 72.1 | Confident | 69.1 | Low | 97 Ų | 97 | 127.8 Ų | 127.8 | 63% | 0.63 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.5 | -27 | 177.8 | -23.6 | 35.1 | 0 | 0 | 0 | 113.6 | E66 R72 | E66-P68 VanDerWaalsContact O-CD 3.28Å; E66-P68 WeakPolarHBondContact O-CD 3.14Å; P68-R72 PolarHBondContact O-N 3.49Å |
| 69 | A | 75.1 | Confident | 70.6 | Confident | 48 Ų | 48 | 126.8 Ų | 126.8 | 40% | 0.397 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.2 | -36.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | D67 R72 R73 | D67-A69 PolarHBondContact O-N 3.29Å; D67-A69 VanDerWaalsContact O-N 3.14Å; D67-A69 WeakPolarHBondContact OD1-CB 3.37Å; D67-A69 PolarHBondContact OD1-N 3.33Å; A69-R72 PolarHBondContact O-N 3.49Å; A69-R73 WeakPolarHBondContact O-CG 3.18Å; A69-R73 PolarHBondContact O-N 2.89Å; A69-R73 VanDerWaalsContact O-N 3.11Å |
| 70 | A | 76.9 | Confident | 72 | Confident | 11 Ų | 11 | 123.7 Ų | 123.7 | 9% | 0.091 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -68.3 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E64 D67 R72 R73 K74 | E64-A70 HydrophobicContact CG-CB 3.93Å; E64-A70 WeakPolarHBondContact O-CB 3.36Å; D67-A70 HydrophobicContact CB-CB 3.99Å; D67-A70 PolarHBondContact O-N 3.27Å; A70-R72 VanDerWaalsContact C-N 3.34Å; A70-R72 PolarHBondContact O-N 3.49Å; A70-R73 PolarHBondContact O-N 3.41Å; A70-K74 WeakPolarHBondContact O-CG 3.25Å; A70-K74 PolarHBondContact O-N 3.35Å |
| 71 | R | 74.8 | Confident | 73.1 | Confident | 159 Ų | 159 | 119.3 Ų | 119.3 | 60% | 0.6 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.7 | -41.3 | 173.6 | -71.5 | -172.7 | 179.2 | -144.7 | -1.1 | 112.7 | D65 D67 K74 K75 | D65-R71 PolarHBondContact O-NE 3.48Å; D65-R71 PolarHBondContact O-NH2 2.96Å; D67-R71 PolarHBondContact O-N 3.21Å; D67-R71 VanDerWaalsContact O-N 3.15Å; R71-K74 PolarHBondContact O-N 3.47Å; R71-K75 WeakPolarHBondContact O-CB 3.34Å; R71-K75 PolarHBondContact O-N 3.28Å |
| 72 | R | 75.7 | Confident | 74.6 | Confident | 206 Ų | 206 | 115 Ų | 115 | 78% | 0.777 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -40.3 | 175.4 | -84.2 | 179.5 | 147.7 | -152.9 | -5.2 | 112.5 | P68 A69 A70 K76 | P68-R72 PolarHBondContact O-N 3.49Å; A69-R72 PolarHBondContact O-N 3.49Å; A70-R72 VanDerWaalsContact C-N 3.34Å; A70-R72 PolarHBondContact O-N 3.49Å; R72-K76 WeakPolarHBondContact O-CB 3.25Å; R72-K76 PolarHBondContact O-N 3.32Å |
| 73 | R | 77.3 | Confident | 76.1 | Confident | 199 Ų | 199 | 114.9 Ų | 114.9 | 75% | 0.751 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.4 | -44.2 | 176.7 | -73 | 175.4 | 177.7 | -178.7 | 0.4 | 112.1 | A69 A70 K76 S77 | A69-R73 WeakPolarHBondContact O-CG 3.18Å; A69-R73 PolarHBondContact O-N 2.89Å; A69-R73 VanDerWaalsContact O-N 3.11Å; A70-R73 PolarHBondContact O-N 3.41Å; R73-K76 PolarHBondContact O-N 3.37Å; R73-S77 PolarHBondContact O-N 3.09Å; R73-S77 PolarHBondContact O-OG 3.23Å |
| 74 | K | 79.9 | Confident | 77 | Confident | 83 Ų | 83 | 116.7 Ų | 116.7 | 36% | 0.361 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 175.2 | -72.7 | 176.3 | 178.6 | 174.2 | 0 | 111.8 | E64 D65 A70 R71 S77 Y78 | E64-K74 WeakPolarHBondContact OE2-CE 3.28Å; E64-K74 IonicContact OE2-NZ 2.9Å; E64-K74 PolarHBondContact OE2-NZ 3.26Å; D65-K74 IonicContact OD1-NZ 2.8Å; D65-K74 PolarHBondContact OD1-NZ 3.48Å; A70-K74 WeakPolarHBondContact O-CG 3.25Å; A70-K74 PolarHBondContact O-N 3.35Å; R71-K74 PolarHBondContact O-N 3.47Å; K74-S77 PolarHBondContact O-OG 3.42Å; K74-Y78 VanDerWaalsContact O-CB 3.32Å; K74-Y78 WeakPolarHBondContact O-CB 3.33Å; K74-Y78 PolarHBondContact O-N 3.14Å |
| 75 | K | 81.1 | Confident | 78.1 | Confident | 134 Ų | 134 | 118 Ų | 118 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 175.7 | -167.5 | 172.4 | -178.1 | 177.6 | 0 | 111.8 | R71 Y78 Y79 | R71-K75 WeakPolarHBondContact O-CB 3.34Å; R71-K75 PolarHBondContact O-N 3.28Å; K75-Y78 WeakPolarHBondContact O-CB 3.32Å; K75-Y78 PolarHBondContact O-N 2.94Å; K75-Y79 HydrophobicContact CD-CE2 4.29Å; K75-Y79 HydrophobicContact CG-CD2 3.95Å; K75-Y79 HydrophobicContact CG-CE2 3.68Å; K75-Y79 VanDerWaalsContact O-CD2 3.25Å; K75-Y79 WeakPolarHBondContact O-CD2 3.29Å; K75-Y79 PolarHBondContact O-N 3.09Å; K75-Y79 VanDerWaalsContact O-N 3.15Å |
| 76 | K | 85.1 | Confident | 79.1 | Confident | 168 Ų | 168 | 120 Ų | 120 | 73% | 0.73 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -41.6 | 179.1 | -172.5 | 176.1 | -179.7 | 180 | 0 | 112.5 | R72 R73 Y78 A80 | R72-K76 WeakPolarHBondContact O-CB 3.25Å; R72-K76 PolarHBondContact O-N 3.32Å; R73-K76 PolarHBondContact O-N 3.37Å; K76-Y78 VanDerWaalsContact C-N 3.32Å; K76-A80 WeakPolarHBondContact O-CB 3.36Å; K76-A80 PolarHBondContact O-N 3.06Å; K76-A80 VanDerWaalsContact O-N 3.1Å |
| 77 | S | 78.1 | Confident | 79.8 | Confident | 60 Ų | 60 | 117.9 Ų | 117.9 | 42% | 0.42 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.7 | -32.6 | 176.8 | 63.3 | 0 | 0 | 0 | 0 | 112.2 | R73 K74 K81 | R73-S77 PolarHBondContact O-N 3.09Å; R73-S77 PolarHBondContact O-OG 3.23Å; K74-S77 PolarHBondContact O-OG 3.42Å; S77-K81 WeakPolarHBondContact O-CB 3.25Å; S77-K81 WeakPolarHBondContact O-CG 3.41Å; S77-K81 PolarHBondContact O-N 2.94Å |
| 78 | Y | 87.3 | Confident | 79.9 | Confident | 150 Ų | 150 | 121.6 Ų | 121.6 | 59% | 0.588 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.2 | -52.2 | 174.8 | -178.4 | -96.9 | 0 | 0 | 0 | 112.6 | K74 K75 K76 A80 K81 L82 | K74-Y78 VanDerWaalsContact O-CB 3.32Å; K74-Y78 WeakPolarHBondContact O-CB 3.33Å; K74-Y78 PolarHBondContact O-N 3.14Å; K75-Y78 WeakPolarHBondContact O-CB 3.32Å; K75-Y78 PolarHBondContact O-N 2.94Å; K76-Y78 VanDerWaalsContact C-N 3.32Å; Y78-A80 VanDerWaalsContact C-N 3.31Å; Y78-A80 PolarHBondContact O-N 3.06Å; Y78-K81 PolarHBondContact O-N 3.49Å; Y78-L82 PolarHBondContact O-N 3.1Å |
| 79 | Y | 82.2 | Confident | 80.2 | Confident | 135 Ų | 135 | 125.6 Ų | 125.6 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.5 | -32.3 | 177.5 | -75.9 | -77.8 | 0 | 0 | 0 | 112.9 | K75 L82 R83 | K75-Y79 HydrophobicContact CD-CE2 4.29Å; K75-Y79 HydrophobicContact CG-CD2 3.95Å; K75-Y79 HydrophobicContact CG-CE2 3.68Å; K75-Y79 VanDerWaalsContact O-CD2 3.25Å; K75-Y79 WeakPolarHBondContact O-CD2 3.29Å; K75-Y79 PolarHBondContact O-N 3.09Å; K75-Y79 VanDerWaalsContact O-N 3.15Å; Y79-L82 PolarHBondContact O-N 3.04Å; Y79-R83 WeakPolarHBondContact O-CB 3.27Å; Y79-R83 PolarHBondContact O-N 3.45Å |
| 80 | A | 84.7 | Confident | 79.9 | Confident | 52 Ų | 52 | 130 Ų | 130 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.3 | -40.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K76 Y78 Q84 | K76-A80 WeakPolarHBondContact O-CB 3.36Å; K76-A80 PolarHBondContact O-N 3.06Å; K76-A80 VanDerWaalsContact O-N 3.1Å; Y78-A80 VanDerWaalsContact C-N 3.31Å; Y78-A80 PolarHBondContact O-N 3.06Å; A80-Q84 WeakPolarHBondContact O-CG 3.21Å; A80-Q84 PolarHBondContact O-N 3.07Å |
| 81 | K | 85.3 | Confident | 79.8 | Confident | 146 Ų | 146 | 137.4 Ų | 137.4 | 64% | 0.635 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.4 | -39.8 | 174.2 | -78.5 | -179.1 | 178.2 | -175.8 | 0 | 112.1 | S77 Y78 R83 Q84 Q85 | S77-K81 WeakPolarHBondContact O-CB 3.25Å; S77-K81 WeakPolarHBondContact O-CG 3.41Å; S77-K81 PolarHBondContact O-N 2.94Å; Y78-K81 PolarHBondContact O-N 3.49Å; K81-R83 PolarHBondContact O-N 3.34Å; K81-Q84 PolarHBondContact O-N 2.93Å; K81-Q85 WeakPolarHBondContact O-CB 3.08Å; K81-Q85 PolarHBondContact O-N 2.76Å |
| 82 | L | 85.6 | Confident | 79.9 | Confident | 73 Ų | 73 | 136 Ų | 136 | 38% | 0.382 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.5 | -44 | 177.7 | -163.1 | 68.7 | 0 | 0 | 0 | 111.4 | Y78 Y79 Q84 Q85 E86 | Y78-L82 PolarHBondContact O-N 3.1Å; Y79-L82 PolarHBondContact O-N 3.04Å; L82-Q84 VanDerWaalsContact C-N 3.34Å; L82-Q84 PolarHBondContact O-N 3.34Å; L82-Q85 PolarHBondContact O-N 3.46Å; L82-E86 PolarHBondContact O-N 2.92Å |
| 83 | R | 84.4 | Confident | 79.6 | Confident | 185 Ų | 185 | 131.6 Ų | 131.6 | 70% | 0.698 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.8 | -34.7 | 175.6 | -169.4 | 176.1 | -178.1 | 171.6 | 3 | 113 | Y79 K81 M87 | Y79-R83 WeakPolarHBondContact O-CB 3.27Å; Y79-R83 PolarHBondContact O-N 3.45Å; K81-R83 PolarHBondContact O-N 3.34Å; R83-M87 WeakPolarHBondContact O-CB 3.49Å; R83-M87 PolarHBondContact O-N 2.92Å; R83-M87 VanDerWaalsContact O-N 3.08Å |
| 84 | Q | 79.4 | Confident | 79.4 | Confident | 135 Ų | 135 | 125.2 Ų | 125.2 | 63% | 0.631 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.4 | -40.9 | 173.3 | -79.5 | -172.3 | -9.3 | 0 | 0 | 111.8 | A80 K81 L82 M87 E88 | A80-Q84 WeakPolarHBondContact O-CG 3.21Å; A80-Q84 PolarHBondContact O-N 3.07Å; K81-Q84 PolarHBondContact O-N 2.93Å; L82-Q84 VanDerWaalsContact C-N 3.34Å; L82-Q84 PolarHBondContact O-N 3.34Å; Q84-M87 PolarHBondContact O-N 3.31Å; Q84-E88 VanDerWaalsContact O-CB 3.28Å; Q84-E88 WeakPolarHBondContact O-CB 3.33Å; Q84-E88 PolarHBondContact O-N 2.97Å |
| 85 | Q | 80.5 | Confident | 79.1 | Confident | 132 Ų | 132 | 127.6 Ų | 127.6 | 62% | 0.617 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.7 | -37.1 | 178.5 | -165.1 | 175.3 | 26.8 | 0 | 0 | 112.2 | K81 L82 R89 | K81-Q85 WeakPolarHBondContact O-CB 3.08Å; K81-Q85 PolarHBondContact O-N 2.76Å; L82-Q85 PolarHBondContact O-N 3.46Å; Q85-R89 VanDerWaalsContact O-CB 3.3Å; Q85-R89 WeakPolarHBondContact O-CB 3.26Å; Q85-R89 PolarHBondContact O-N 2.96Å |
| 86 | E | 79.9 | Confident | 78.9 | Confident | 123 Ų | 123 | 129.7 Ų | 129.7 | 58% | 0.575 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.6 | -47.8 | 171 | -81.3 | -179.5 | 160.4 | 0 | 0 | 111.9 | L82 E88 R89 E90 | L82-E86 PolarHBondContact O-N 2.92Å; E86-E88 VanDerWaalsContact C-N 3.31Å; E86-E88 PolarHBondContact O-N 3.45Å; E86-R89 PolarHBondContact O-N 3.44Å; E86-E90 WeakPolarHBondContact O-CG 3.33Å; E86-E90 PolarHBondContact O-N 3.44Å |
| 87 | M | 74 | Confident | 78.2 | Confident | 121 Ų | 121 | 130.3 Ų | 130.3 | 60% | 0.596 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63 | -37.4 | 178.9 | -172.7 | -177.2 | -65.9 | 0 | 0 | 112.4 | R83 Q84 R91 | R83-M87 WeakPolarHBondContact O-CB 3.49Å; R83-M87 PolarHBondContact O-N 2.92Å; R83-M87 VanDerWaalsContact O-N 3.08Å; Q84-M87 PolarHBondContact O-N 3.31Å; M87-R91 VanDerWaalsContact O-CB 3.32Å; M87-R91 WeakPolarHBondContact O-CB 3.45Å; M87-R91 PolarHBondContact O-N 3.39Å |
| 88 | E | 79.2 | Confident | 78 | Confident | 137 Ų | 137 | 134 Ų | 134 | 64% | 0.64 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.3 | -41.3 | 176.7 | -172.1 | 168.5 | -148.9 | 0 | 0 | 111.5 | Q84 E86 R91 E92 | Q84-E88 VanDerWaalsContact O-CB 3.28Å; Q84-E88 WeakPolarHBondContact O-CB 3.33Å; Q84-E88 PolarHBondContact O-N 2.97Å; E86-E88 VanDerWaalsContact C-N 3.31Å; E86-E88 PolarHBondContact O-N 3.45Å; E88-R91 PolarHBondContact O-N 2.84Å; E88-E92 WeakPolarHBondContact O-CB 3.48Å; E88-E92 PolarHBondContact O-N 3.15Å |
| 89 | R | 77.4 | Confident | 77.1 | Confident | 180 Ų | 180 | 129.6 Ų | 129.6 | 68% | 0.679 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.1 | -40.1 | 174.4 | -170.1 | -171.5 | -177.8 | 102.5 | -0.2 | 112.2 | Q85 E86 E92 L93 | Q85-R89 VanDerWaalsContact O-CB 3.3Å; Q85-R89 WeakPolarHBondContact O-CB 3.26Å; Q85-R89 PolarHBondContact O-N 2.96Å; E86-R89 PolarHBondContact O-N 3.44Å; R89-E92 PolarHBondContact O-N 2.99Å; R89-L93 HydrophobicContact CG-CD1 4.46Å; R89-L93 WeakPolarHBondContact O-CB 3.44Å; R89-L93 WeakPolarHBondContact O-CG 3.49Å; R89-L93 PolarHBondContact O-N 3.14Å |
| 90 | E | 69.4 | Low | 76.8 | Confident | 141 Ų | 141 | 129.4 Ų | 129.4 | 66% | 0.659 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.3 | -38.3 | 175 | -76.2 | -172.4 | 163.8 | 0 | 0 | 112.1 | E86 L93 A94 | E86-E90 WeakPolarHBondContact O-CG 3.33Å; E86-E90 PolarHBondContact O-N 3.44Å; E90-L93 PolarHBondContact O-N 3.16Å; E90-A94 WeakPolarHBondContact O-CB 3.47Å; E90-A94 PolarHBondContact O-N 2.98Å |
| 91 | R | 73.9 | Confident | 76 | Confident | 167 Ų | 167 | 129.7 Ų | 129.7 | 63% | 0.63 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.3 | -42.2 | 174.6 | -176.7 | -179.6 | 170.7 | -179 | -1 | 111.8 | M87 E88 L93 A94 E95 | M87-R91 VanDerWaalsContact O-CB 3.32Å; M87-R91 WeakPolarHBondContact O-CB 3.45Å; M87-R91 PolarHBondContact O-N 3.39Å; E88-R91 PolarHBondContact O-N 2.84Å; R91-L93 VanDerWaalsContact C-N 3.33Å; R91-L93 PolarHBondContact O-N 3.18Å; R91-A94 PolarHBondContact O-N 3.49Å; R91-E95 HydrophobicContact CG-CG 4.49Å; R91-E95 IonicContact CZ-OE1 3.6Å; R91-E95 IonicContact NE-OE1 2.85Å; R91-E95 PolarHBondContact NE-OE1 3.48Å; R91-E95 IonicContact NH2-OE1 3.35Å; R91-E95 PolarHBondContact NH2-OE1 3.48Å; R91-E95 WeakPolarHBondContact O-CB 3.27Å; R91-E95 WeakPolarHBondContact O-CG 3.47Å; R91-E95 PolarHBondContact O-N 3.38Å |
| 92 | E | 78.3 | Confident | 75.6 | Confident | 130 Ų | 130 | 130.2 Ų | 130.2 | 61% | 0.607 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63 | -40.4 | 175.9 | -169.3 | -174.8 | 179.3 | 0 | 0 | 111.3 | E88 R89 E95 K96 | E88-E92 WeakPolarHBondContact O-CB 3.48Å; E88-E92 PolarHBondContact O-N 3.15Å; R89-E92 PolarHBondContact O-N 2.99Å; E92-E95 PolarHBondContact O-N 3.44Å; E92-K96 VanDerWaalsContact O-CB 3.32Å; E92-K96 WeakPolarHBondContact O-CB 3.32Å; E92-K96 PolarHBondContact O-N 3.11Å |
| 93 | L | 68.9 | Low | 75.1 | Confident | 112 Ų | 112 | 128.8 Ų | 128.8 | 59% | 0.586 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.6 | -36.6 | 174 | -76.8 | 166.2 | 0 | 0 | 0 | 112.5 | R89 E90 R91 K96 Y97 | R89-L93 HydrophobicContact CG-CD1 4.46Å; R89-L93 WeakPolarHBondContact O-CB 3.44Å; R89-L93 WeakPolarHBondContact O-CG 3.49Å; R89-L93 PolarHBondContact O-N 3.14Å; E90-L93 PolarHBondContact O-N 3.16Å; R91-L93 VanDerWaalsContact C-N 3.33Å; R91-L93 PolarHBondContact O-N 3.18Å; L93-K96 PolarHBondContact O-N 2.87Å; L93-Y97 PolarHBondContact O-N 3.12Å |
| 94 | A | 73.3 | Confident | 74.4 | Confident | 65 Ų | 65 | 126.9 Ų | 126.9 | 54% | 0.537 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.5 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E90 R91 K96 Y97 | E90-A94 WeakPolarHBondContact O-CB 3.47Å; E90-A94 PolarHBondContact O-N 2.98Å; R91-A94 PolarHBondContact O-N 3.49Å; A94-K96 VanDerWaalsContact C-N 3.3Å; A94-K96 PolarHBondContact O-N 3Å; A94-Y97 PolarHBondContact O-N 3.38Å |
| 95 | E | 73.2 | Confident | 74.3 | Confident | 134 Ų | 134 | 130.9 Ų | 130.9 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.2 | -30.4 | 175 | -73.7 | 176.9 | -172.4 | 0 | 0 | 111.6 | R91 E92 Y97 | R91-E95 HydrophobicContact CG-CG 4.49Å; R91-E95 IonicContact CZ-OE1 3.6Å; R91-E95 IonicContact NE-OE1 2.85Å; R91-E95 PolarHBondContact NE-OE1 3.48Å; R91-E95 IonicContact NH2-OE1 3.35Å; R91-E95 PolarHBondContact NH2-OE1 3.48Å; R91-E95 WeakPolarHBondContact O-CB 3.27Å; R91-E95 WeakPolarHBondContact O-CG 3.47Å; R91-E95 PolarHBondContact O-N 3.38Å; E92-E95 PolarHBondContact O-N 3.44Å; E95-Y97 VanDerWaalsContact C-N 3.3Å |
| 96 | K | 77.6 | Confident | 74.1 | Confident | 177 Ų | 177 | 129.9 Ų | 129.9 | 77% | 0.77 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -12 | 174.1 | -162.1 | 169.6 | -175.1 | 176.2 | 0 | 113.7 | E92 L93 A94 R98 | E92-K96 VanDerWaalsContact O-CB 3.32Å; E92-K96 WeakPolarHBondContact O-CB 3.32Å; E92-K96 PolarHBondContact O-N 3.11Å; L93-K96 PolarHBondContact O-N 2.87Å; A94-K96 VanDerWaalsContact C-N 3.3Å; A94-K96 PolarHBondContact O-N 3Å; K96-R98 PolarHBondContact O-N 3.13Å |
| 97 | Y | 70.3 | Confident | 73.4 | Confident | 181 Ų | 181 | 127 Ų | 127 | 71% | 0.71 | 58% | 0.584 | S | S | * | * | trans | -85.7 | 112.3 | 178.9 | -167 | -95.4 | 0 | 0 | 0 | 111.2 | L93 A94 E95 D99 | L93-Y97 PolarHBondContact O-N 3.12Å; A94-Y97 PolarHBondContact O-N 3.38Å; E95-Y97 VanDerWaalsContact C-N 3.3Å; Y97-D99 PolarHBondContact O-N 2.93Å | ||
| 98 | R | 73.2 | Confident | 73 | Confident | 137 Ų | 137 | 126.4 Ų | 126.4 | 52% | 0.517 | 59% | 0.586 | S | S | . | * | trans | -77.2 | 108.2 | 174.1 | -173.6 | 175.1 | 175.4 | 176.1 | -8.9 | 110.3 | K96 R100 E103 | K96-R98 PolarHBondContact O-N 3.13Å; R98-R100 VanDerWaalsContact C-N 3.32Å; R98-R100 PolarHBondContact O-N 3.21Å; R98-E103 WeakPolarHBondContact CG-OE1 3.28Å; R98-E103 IonicContact CZ-OE1 2.74Å; R98-E103 IonicContact CZ-OE2 3.53Å; R98-E103 VanDerWaalsContact NE-CD 3.31Å; R98-E103 IonicContact NE-OE1 3.94Å; R98-E103 PolarHBondContact NE-OE1 3.33Å; R98-E103 IonicContact NE-OE2 3.84Å; R98-E103 PolarHBondContact NE-OE2 3.29Å; R98-E103 IonicContact NH2-OE1 2.78Å; R98-E103 PolarHBondContact NH2-OE1 3.22Å; R98-E103 IonicContact NH2-OE2 3.01Å; R98-E103 PolarHBondContact NH2-OE2 3.19Å | ||
| 99 | D | 68.3 | Low | 72 | Confident | 59 Ų | 59 | 120.5 Ų | 120.5 | 32% | 0.316 | 56% | 0.559 | S | S | . | * | trans | -75.5 | 80.5 | 178.5 | -171.6 | -8 | 0 | 0 | 0 | 111.8 | Y97 A101 R102 E103 | Y97-D99 PolarHBondContact O-N 2.93Å; D99-A101 PolarHBondContact O-N 2.95Å; D99-A101 VanDerWaalsContact O-N 3.15Å; D99-A101 PolarHBondContact OD1-N 3.36Å; D99-R102 HydrophobicContact CB-CB 4.08Å; D99-R102 VanDerWaalsContact CG-CB 3.44Å; D99-R102 PolarHBondContact O-N 2.88Å; D99-R102 PolarHBondContact OD1-N 3.49Å; D99-R102 WeakPolarHBondContact OD2-CB 3.41Å; D99-R102 IonicContact OD2-CZ 3.52Å; D99-R102 IonicContact OD2-NE 2.8Å; D99-R102 PolarHBondContact OD2-NE 3.1Å; D99-R102 IonicContact OD2-NH2 2.9Å; D99-E103 PolarHBondContact O-N 2.81Å; D99-E103 VanDerWaalsContact O-N 3.11Å | ||
| 100 | R | 76.3 | Confident | 71.4 | Confident | 131 Ų | 131 | 120.1 Ų | 120.1 | 49% | 0.494 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.1 | -14.4 | 177.8 | -132 | 176.7 | -167.4 | -179.9 | 3.7 | 113.9 | R98 R104 D111 | R98-R100 VanDerWaalsContact C-N 3.32Å; R98-R100 PolarHBondContact O-N 3.21Å; R100-R104 WeakPolarHBondContact O-CG 3.2Å; R100-R104 PolarHBondContact O-NH1 3.24Å; R100-D111 IonicContact CZ-OD2 3.51Å; R100-D111 IonicContact NE-OD2 3.48Å; R100-D111 IonicContact NH2-OD2 3.3Å; R100-D111 PolarHBondContact NH2-OD2 3.07Å |
| 101 | A | 66.7 | Low | 70.9 | Confident | 57 Ų | 57 | 117.2 Ų | 117.2 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -84.2 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D99 R104 R105 | D99-A101 PolarHBondContact O-N 2.95Å; D99-A101 VanDerWaalsContact O-N 3.15Å; D99-A101 PolarHBondContact OD1-N 3.36Å; A101-R104 PolarHBondContact O-N 3.09Å; A101-R105 PolarHBondContact O-N 2.82Å |
| 102 | R | 76.9 | Confident | 70.1 | Confident | 157 Ų | 157 | 115 Ų | 115 | 59% | 0.592 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.1 | -41.7 | 171.6 | -168.7 | 176.7 | -58.8 | -139.9 | -2 | 112 | D99 R104 R105 D106 | D99-R102 HydrophobicContact CB-CB 4.08Å; D99-R102 VanDerWaalsContact CG-CB 3.44Å; D99-R102 PolarHBondContact O-N 2.88Å; D99-R102 PolarHBondContact OD1-N 3.49Å; D99-R102 WeakPolarHBondContact OD2-CB 3.41Å; D99-R102 IonicContact OD2-CZ 3.52Å; D99-R102 IonicContact OD2-NE 2.8Å; D99-R102 PolarHBondContact OD2-NE 3.1Å; D99-R102 IonicContact OD2-NH2 2.9Å; R102-R104 PolarHBondContact O-N 3.42Å; R102-R105 PolarHBondContact O-N 2.77Å; R102-D106 WeakPolarHBondContact CG-OD2 3.44Å; R102-D106 PolarHBondContact O-N 2.87Å |
| 103 | E | 75.1 | Confident | 69.1 | Low | 44 Ų | 44 | 115.8 Ų | 115.8 | 21% | 0.206 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -58.1 | -32.5 | 173.9 | -71.5 | 178.8 | -175.8 | 0 | 0 | 113.2 | R98 D99 G107 V108 | R98-E103 WeakPolarHBondContact CG-OE1 3.28Å; R98-E103 IonicContact CZ-OE1 2.74Å; R98-E103 IonicContact CZ-OE2 3.53Å; R98-E103 VanDerWaalsContact NE-CD 3.31Å; R98-E103 IonicContact NE-OE1 3.94Å; R98-E103 PolarHBondContact NE-OE1 3.33Å; R98-E103 IonicContact NE-OE2 3.84Å; R98-E103 PolarHBondContact NE-OE2 3.29Å; R98-E103 IonicContact NH2-OE1 2.78Å; R98-E103 PolarHBondContact NH2-OE1 3.22Å; R98-E103 IonicContact NH2-OE2 3.01Å; R98-E103 PolarHBondContact NH2-OE2 3.19Å; D99-E103 PolarHBondContact O-N 2.81Å; D99-E103 VanDerWaalsContact O-N 3.11Å; E103-G107 PolarHBondContact O-N 3.36Å; E103-V108 PolarHBondContact O-N 3.33Å; E103-V108 VanDerWaalsContact O-N 3.15Å |
| 104 | R | 70.4 | Confident | 68.3 | Low | 144 Ų | 144 | 118 Ų | 118 | 54% | 0.543 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.2 | -29 | 173.4 | -74.3 | -174.8 | -174 | 109.6 | -5.9 | 113.9 | R100 A101 R102 | R100-R104 WeakPolarHBondContact O-CG 3.2Å; R100-R104 PolarHBondContact O-NH1 3.24Å; A101-R104 PolarHBondContact O-N 3.09Å; R102-R104 PolarHBondContact O-N 3.42Å |
| 105 | R | 77.3 | Confident | 67.5 | Low | 219 Ų | 219 | 118.2 Ų | 118.2 | 83% | 0.826 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -78 | -39 | 176.3 | -74.2 | -175.3 | -174.4 | 164.7 | 2.7 | 111.8 | A101 R102 G107 | A101-R105 PolarHBondContact O-N 2.82Å; R102-R105 PolarHBondContact O-N 2.77Å; R105-G107 VanDerWaalsContact C-N 3.28Å |
| 106 | D | 77.4 | Confident | 66.7 | Low | 111 Ų | 111 | 118 Ų | 118 | 59% | 0.594 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.6 | -179.1 | -62.4 | -22.9 | 0 | 0 | 0 | 112.4 | R102 V108 | R102-D106 WeakPolarHBondContact CG-OD2 3.44Å; R102-D106 PolarHBondContact O-N 2.87Å; D106-V108 HydrophobicContact CB-CG2 4.11Å; D106-V108 WeakPolarHBondContact O-CG2 3.48Å; D106-V108 PolarHBondContact O-N 3.21Å |
| 107 | G | 64.3 | Low | 65.6 | Low | 64 Ų | 64 | 115.9 Ų | 115.9 | 66% | 0.66 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 3.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E103 R105 N109 | E103-G107 PolarHBondContact O-N 3.36Å; R105-G107 VanDerWaalsContact C-N 3.28Å; G107-N109 PolarHBondContact O-N 3.29Å; G107-N109 VanDerWaalsContact O-N 3.09Å |
| 108 | V | 65.2 | Low | 64.9 | Low | 107 Ų | 107 | 112.5 Ų | 112.5 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | trans | -86.8 | 36.4 | -177.2 | -161.9 | 0 | 0 | 0 | 0 | 111 | E103 D106 K110 | E103-V108 PolarHBondContact O-N 3.33Å; E103-V108 VanDerWaalsContact O-N 3.15Å; D106-V108 HydrophobicContact CB-CG2 4.11Å; D106-V108 WeakPolarHBondContact O-CG2 3.48Å; D106-V108 PolarHBondContact O-N 3.21Å; V108-K110 PolarHBondContact O-N 2.94Å | ||
| 109 | N | 59.6 | Low | 64.2 | Low | 13 Ų | 13 | 109.8 Ų | 109.8 | 7% | 0.07 | 54% | 0.54 | C | S | . | . | trans | -91.3 | 97.7 | -175.9 | -152 | 20.2 | 0 | 0 | 0 | 109.8 | G107 D111 Y112 | G107-N109 PolarHBondContact O-N 3.29Å; G107-N109 VanDerWaalsContact O-N 3.09Å; N109-D111 PolarHBondContact O-N 3.11Å; N109-Y112 HydrophobicContact CB-CD2 4.23Å; N109-Y112 WeakPolarHBondContact ND2-CD2 3.46Å; N109-Y112 VanDerWaalsContact ND2-CE2 3.32Å; N109-Y112 WeakPolarHBondContact ND2-CE2 3.5Å; N109-Y112 PolarHBondContact O-N 2.99Å; N109-Y112 VanDerWaalsContact O-N 3.09Å | ||
| 110 | K | 64.7 | Low | 63.5 | Low | 172 Ų | 172 | 112.4 Ų | 112.4 | 75% | 0.748 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -21.3 | -176.4 | -146 | 174.3 | -173.5 | 179.5 | 0 | 114.1 | V108 Y112 | V108-K110 PolarHBondContact O-N 2.94Å; K110-Y112 VanDerWaalsContact C-N 3.33Å |
| 111 | D | 58.2 | Low | 62.4 | Low | 80 Ų | 80 | 111.4 Ų | 111.4 | 43% | 0.428 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -10.3 | -179 | -58 | -16.1 | 0 | 0 | 0 | 113.6 | R100 N109 | R100-D111 IonicContact CZ-OD2 3.51Å; R100-D111 IonicContact NE-OD2 3.48Å; R100-D111 IonicContact NH2-OD2 3.3Å; R100-D111 PolarHBondContact NH2-OD2 3.07Å; N109-D111 PolarHBondContact O-N 3.11Å |
| 112 | Y | 56.3 | Low | 61.6 | Low | 121 Ų | 121 | 112.4 Ų | 112.4 | 48% | 0.475 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -103.6 | -12.7 | -177.6 | -86.4 | -96.1 | 0 | 0 | 0 | 114.9 | N109 K110 E114 T115 E116 | N109-Y112 HydrophobicContact CB-CD2 4.23Å; N109-Y112 WeakPolarHBondContact ND2-CD2 3.46Å; N109-Y112 VanDerWaalsContact ND2-CE2 3.32Å; N109-Y112 WeakPolarHBondContact ND2-CE2 3.5Å; N109-Y112 PolarHBondContact O-N 2.99Å; N109-Y112 VanDerWaalsContact O-N 3.09Å; K110-Y112 VanDerWaalsContact C-N 3.33Å; Y112-E114 PolarHBondContact O-N 2.9Å; Y112-T115 WeakPolarHBondContact CA-OG1 3.14Å; Y112-T115 PolarHBondContact O-N 2.62Å; Y112-T115 PolarHBondContact O-OG1 2.93Å; Y112-E116 PolarHBondContact O-N 2.84Å |
| 113 | E | 58.2 | Low | 60.2 | Low | 146 Ų | 146 | 112.2 Ų | 112.2 | 68% | 0.682 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.7 | -34.5 | 177 | -73.3 | -157.2 | 158.6 | 0 | 0 | 111.9 | L117 | E113-L117 WeakPolarHBondContact O-CD1 3.5Å |
| 114 | E | 52.9 | Low | 58.8 | Low | 159 Ų | 159 | 121.1 Ų | 121.1 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.9 | -30.4 | -179.2 | -163 | 168.5 | -160 | 0 | 0 | 112.6 | Y112 I118 | Y112-E114 PolarHBondContact O-N 2.9Å; E114-I118 WeakPolarHBondContact O-CD1 3.49Å; E114-I118 WeakPolarHBondContact O-CG1 3.44Å |
| 115 | T | 55.5 | Low | 57.4 | Low | 70 Ų | 70 | 126 Ų | 126 | 43% | 0.429 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -83 | -28.3 | -179.9 | 40.6 | 0 | 0 | 0 | 0 | 114.4 | Y112 L117 I118 S119 | Y112-T115 WeakPolarHBondContact CA-OG1 3.14Å; Y112-T115 PolarHBondContact O-N 2.62Å; Y112-T115 PolarHBondContact O-OG1 2.93Å; T115-L117 VanDerWaalsContact C-N 3.31Å; T115-L117 PolarHBondContact O-N 2.95Å; T115-I118 PolarHBondContact O-N 3.03Å; T115-S119 PolarHBondContact O-N 2.94Å |
| 116 | E | 56.5 | Low | 55.7 | Low | 129 Ų | 129 | 119.9 Ų | 119.9 | 60% | 0.603 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.1 | -30.9 | 175.4 | -77.6 | -72.3 | 131.1 | 0 | 0 | 111.8 | Y112 I118 | Y112-E116 PolarHBondContact O-N 2.84Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.18Å |
| 117 | L | 54.8 | Low | 54 | Low | 133 Ų | 133 | 121.8 Ų | 121.8 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.3 | -28.4 | 172 | -93 | 85.5 | 0 | 0 | 0 | 113.2 | E113 T115 T120 | E113-L117 WeakPolarHBondContact O-CD1 3.5Å; T115-L117 VanDerWaalsContact C-N 3.31Å; T115-L117 PolarHBondContact O-N 2.95Å; L117-T120 PolarHBondContact O-OG1 3.5Å |
| 118 | I | 55.9 | Low | 52.8 | Low | 110 Ų | 110 | 122 Ų | 122 | 56% | 0.564 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -83.3 | -36.5 | -176.5 | -64.1 | 166 | 0 | 0 | 0 | 111.1 | E114 T115 E116 T120 T121 | E114-I118 WeakPolarHBondContact O-CD1 3.49Å; E114-I118 WeakPolarHBondContact O-CG1 3.44Å; T115-I118 PolarHBondContact O-N 3.03Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.18Å; I118-T120 VanDerWaalsContact C-N 3.34Å; I118-T120 PolarHBondContact O-N 3.39Å; I118-T121 PolarHBondContact O-N 2.96Å; I118-T121 PolarHBondContact O-OG1 2.91Å |
| 119 | S | 57.2 | Low | 51.9 | Low | 79 Ų | 79 | 123.3 Ų | 123.3 | 55% | 0.552 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.9 | -31.9 | -177.1 | -168.7 | 0 | 0 | 0 | 0 | 113.8 | T115 T121 | T115-S119 PolarHBondContact O-N 2.94Å; S119-T121 PolarHBondContact O-N 3.43Å |
| 120 | T | 54.9 | Low | 50.9 | Low | 114 Ų | 114 | 129.4 Ų | 129.4 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -11.5 | -178.6 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | L117 I118 | L117-T120 PolarHBondContact O-OG1 3.5Å; I118-T120 VanDerWaalsContact C-N 3.34Å; I118-T120 PolarHBondContact O-N 3.39Å |
| 121 | T | 53.4 | Low | 50.1 | Low | 111 Ų | 111 | 125.9 Ų | 125.9 | 68% | 0.681 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -7.1 | -177.2 | 61.5 | 0 | 0 | 0 | 0 | 114.8 | I118 S119 | I118-T121 PolarHBondContact O-N 2.96Å; I118-T121 PolarHBondContact O-OG1 2.91Å; S119-T121 PolarHBondContact O-N 3.43Å |
| 122 | A | 49.2 | Very low | 49.5 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | trans | -96.4 | 5.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y124 | A122-Y124 PolarHBondContact O-N 3.42Š| ||
| 123 | N | 48 | Very low | 49.2 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -88.9 | 18.7 | -176.1 | -89 | 8.2 | 0 | 0 | 0 | 115.9 | ||||
| 124 | Y | 44.5 | Very low | 48.8 | Very low | 231 Ų | 231 | 129 Ų | 129 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | trans | -122.8 | 78.6 | 174.9 | -87.6 | -87.9 | 0 | 0 | 0 | 112.3 | A122 | A122-Y124 PolarHBondContact O-N 3.42Š| ||
| 125 | R | 42.1 | Very low | 48.9 | Very low | 246 Ų | 246 | 128.7 Ų | 128.7 | 93% | 0.928 | 74% | 0.736 | S | S | * | * | trans | -156.6 | 100.7 | 149.2 | -152.2 | 171.7 | -176.8 | -174.8 | 0.2 | 112.2 | ||||
| 126 | A | 41.6 | Very low | 48.7 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | -74 | 142.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 127 | V | 41 | Very low | 48.9 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 92% | 0.915 | 74% | 0.743 | S | S | * | * | trans | -167.7 | 142 | 131.2 | -85.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 128 | G | 39.6 | Very low | 49.2 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | trans | -82 | -179.1 | -154.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 129 | P | 46.6 | Very low | 49.7 | Very low | 135 Ų | 135 | 122.2 Ų | 122.2 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | trans | -88.2 | 126.9 | -166.4 | 34.6 | -30.2 | 0 | 0 | 0 | 111.5 | ||||
| 130 | T | 38.6 | Very low | 50.2 | Low | 141 Ų | 141 | 125.8 Ų | 125.8 | 87% | 0.865 | 73% | 0.732 | S | S | * | * | trans | -101.3 | 132.9 | 169.1 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | E132 | T130-E132 PolarHBondContact O-N 3.08Š| ||
| 131 | A | 47.6 | Very low | 50.4 | Low | 99 Ų | 99 | 128.9 Ų | 128.9 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -65.7 | 108.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 132 | E | 44.3 | Very low | 51.2 | Low | 156 Ų | 156 | 132.4 Ų | 132.4 | 73% | 0.729 | 73% | 0.731 | S | S | * | * | trans | -150.4 | 39.8 | 155.9 | -91.6 | -83 | 144.8 | 0 | 0 | 107.4 | T130 K135 | T130-E132 PolarHBondContact O-N 3.08Å; E132-K135 IonicContact OE2-NZ 2.86Å | ||
| 133 | A | 50.7 | Low | 52.1 | Low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | -97.4 | 85.2 | 177 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 134 | D | 50.3 | Low | 53.1 | Low | 166 Ų | 166 | 131.9 Ų | 131.9 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | trans | -169.3 | 35.8 | 153.2 | -92.7 | -20 | 0 | 0 | 0 | 112.9 | S136 | D134-S136 PolarHBondContact O-N 3.38Š| ||
| 135 | K | 54 | Low | 53.9 | Low | 153 Ų | 153 | 124.7 Ų | 124.7 | 67% | 0.665 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -84.9 | 95.2 | 162 | -72.4 | 175.1 | -172.1 | 162 | 0 | 108.7 | E132 | E132-K135 IonicContact OE2-NZ 2.86Š|
| 136 | S | 51.5 | Low | 55.1 | Low | 66 Ų | 66 | 119.6 Ų | 119.6 | 46% | 0.462 | 68% | 0.677 | S | S | . | * | trans | -22.9 | 127.9 | -178.5 | -172.9 | 0 | 0 | 0 | 0 | 116.1 | D134 A138 E139 K140 | D134-S136 PolarHBondContact O-N 3.38Å; S136-A138 PolarHBondContact O-N 3.08Å; S136-A138 WeakPolarHBondContact OG-CB 3.27Å; S136-A138 PolarHBondContact OG-N 3.45Å; S136-E139 WeakPolarHBondContact O-CB 3.49Å; S136-E139 PolarHBondContact O-N 3.47Å; S136-K140 PolarHBondContact O-N 2.9Å | ||
| 137 | A | 61.8 | Low | 56 | Low | 86 Ų | 86 | 121.9 Ų | 121.9 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -51.9 | -24.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113 | R141 | A137-R141 VanDerWaalsContact O-CB 3.3Å; A137-R141 WeakPolarHBondContact O-CB 3.42Å; A137-R141 PolarHBondContact O-N 2.75Å |
| 138 | A | 59.8 | Low | 56.9 | Low | 53 Ų | 53 | 118 Ų | 118 | 44% | 0.438 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -73.6 | -29.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S136 R142 | S136-A138 PolarHBondContact O-N 3.08Å; S136-A138 WeakPolarHBondContact OG-CB 3.27Å; S136-A138 PolarHBondContact OG-N 3.45Å; A138-R142 WeakPolarHBondContact O-CB 3.28Å; A138-R142 VanDerWaalsContact O-CG 3.29Å; A138-R142 WeakPolarHBondContact O-CG 3.45Å; A138-R142 PolarHBondContact O-N 3.15Å |
| 139 | E | 67.4 | Low | 58.1 | Low | 102 Ų | 102 | 123 Ų | 123 | 48% | 0.477 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -79.5 | -40.1 | 178.1 | -155.2 | 170.7 | -156.4 | 0 | 0 | 110.9 | S136 R141 R142 Q143 | S136-E139 WeakPolarHBondContact O-CB 3.49Å; S136-E139 PolarHBondContact O-N 3.47Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.44Å; E139-R142 PolarHBondContact O-N 2.98Å; E139-R142 VanDerWaalsContact O-N 3.16Å; E139-Q143 WeakPolarHBondContact O-CG 3.26Å; E139-Q143 PolarHBondContact O-N 2.94Å |
| 140 | K | 66.4 | Low | 58.3 | Low | 154 Ų | 154 | 126.1 Ų | 126.1 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -57.2 | -43.5 | 166 | -99.7 | 179.3 | 177.8 | 171.9 | 0 | 111.8 | S136 Q143 L144 | S136-K140 PolarHBondContact O-N 2.9Å; K140-Q143 PolarHBondContact O-N 3.18Å; K140-L144 WeakPolarHBondContact O-CB 3.38Å; K140-L144 PolarHBondContact O-N 3.41Å |
| 141 | R | 60.2 | Low | 58.9 | Low | 178 Ų | 178 | 123.1 Ų | 123.1 | 67% | 0.672 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.5 | -37 | 176.1 | -171.9 | 173.9 | -177.8 | -100.6 | 0.9 | 112.1 | A137 E139 I145 | A137-R141 VanDerWaalsContact O-CB 3.3Å; A137-R141 WeakPolarHBondContact O-CB 3.42Å; A137-R141 PolarHBondContact O-N 2.75Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.44Å; R141-I145 HydrophobicContact CG-CD1 3.84Å; R141-I145 VanDerWaalsContact O-CB 3.32Å; R141-I145 WeakPolarHBondContact O-CB 3.41Å; R141-I145 WeakPolarHBondContact O-CD1 3.45Å; R141-I145 WeakPolarHBondContact O-CG1 3.23Å; R141-I145 PolarHBondContact O-N 2.97Å |
| 142 | R | 70.1 | Confident | 59.3 | Low | 185 Ų | 185 | 122 Ų | 122 | 70% | 0.698 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.2 | -37.7 | 175.9 | -79.3 | 177.6 | -177.7 | -144.5 | 1.9 | 112.8 | A138 E139 I145 Q146 | A138-R142 WeakPolarHBondContact O-CB 3.28Å; A138-R142 VanDerWaalsContact O-CG 3.29Å; A138-R142 WeakPolarHBondContact O-CG 3.45Å; A138-R142 PolarHBondContact O-N 3.15Å; E139-R142 PolarHBondContact O-N 2.98Å; E139-R142 VanDerWaalsContact O-N 3.16Å; R142-I145 PolarHBondContact O-N 3.2Å; R142-Q146 WeakPolarHBondContact O-CB 3.27Å; R142-Q146 PolarHBondContact O-N 3.28Å |
| 143 | Q | 68.6 | Low | 60.1 | Low | 98 Ų | 98 | 117.7 Ų | 117.7 | 46% | 0.458 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.9 | -46.5 | 174 | -73.8 | 172.3 | -0.1 | 0 | 0 | 110.9 | E139 K140 I145 Q146 E147 | E139-Q143 WeakPolarHBondContact O-CG 3.26Å; E139-Q143 PolarHBondContact O-N 2.94Å; K140-Q143 PolarHBondContact O-N 3.18Å; Q143-I145 VanDerWaalsContact C-N 3.28Å; Q143-I145 PolarHBondContact O-N 3.43Å; Q143-Q146 PolarHBondContact O-N 3.01Å; Q143-Q146 VanDerWaalsContact O-N 3.08Å; Q143-E147 WeakPolarHBondContact O-CB 3.36Å; Q143-E147 VanDerWaalsContact O-CG 3.3Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 3.19Å |
| 144 | L | 68.3 | Low | 60.1 | Low | 121 Ų | 121 | 119.4 Ų | 119.4 | 63% | 0.634 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.3 | -34.4 | 177.3 | -142.9 | 154 | 0 | 0 | 0 | 112.1 | K140 S148 | K140-L144 WeakPolarHBondContact O-CB 3.38Å; K140-L144 PolarHBondContact O-N 3.41Å; L144-S148 WeakPolarHBondContact O-CB 3.39Å; L144-S148 PolarHBondContact O-N 3.47Å; L144-S148 VanDerWaalsContact O-N 3.15Å; L144-S148 PolarHBondContact O-OG 3.44Å |
| 145 | I | 61.6 | Low | 60.2 | Low | 81 Ų | 81 | 120.3 Ų | 120.3 | 42% | 0.415 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.9 | -37.1 | 173 | -69 | 167.7 | 0 | 0 | 0 | 111.9 | R141 R142 Q143 S148 K149 | R141-I145 HydrophobicContact CG-CD1 3.84Å; R141-I145 VanDerWaalsContact O-CB 3.32Å; R141-I145 WeakPolarHBondContact O-CB 3.41Å; R141-I145 WeakPolarHBondContact O-CD1 3.45Å; R141-I145 WeakPolarHBondContact O-CG1 3.23Å; R141-I145 PolarHBondContact O-N 2.97Å; R142-I145 PolarHBondContact O-N 3.2Å; Q143-I145 VanDerWaalsContact C-N 3.28Å; Q143-I145 PolarHBondContact O-N 3.43Å; I145-S148 WeakPolarHBondContact CA-OG 3.19Å; I145-S148 PolarHBondContact O-N 2.76Å; I145-S148 PolarHBondContact O-OG 3.05Å; I145-K149 VanDerWaalsContact O-CB 3.24Å; I145-K149 WeakPolarHBondContact O-CB 3.38Å; I145-K149 PolarHBondContact O-N 2.66Å |
| 146 | Q | 66.2 | Low | 60.3 | Low | 139 Ų | 139 | 121.2 Ų | 121.2 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.2 | -40.8 | 175.3 | -90.2 | -179 | -42.8 | 0 | 0 | 112.3 | R142 Q143 S148 K149 | R142-Q146 WeakPolarHBondContact O-CB 3.27Å; R142-Q146 PolarHBondContact O-N 3.28Å; Q143-Q146 PolarHBondContact O-N 3.01Å; Q143-Q146 VanDerWaalsContact O-N 3.08Å; Q146-S148 VanDerWaalsContact C-N 3.26Å; Q146-S148 PolarHBondContact O-N 3.09Å; Q146-K149 PolarHBondContact O-N 3.46Å |
| 147 | E | 61.3 | Low | 60.4 | Low | 140 Ų | 140 | 123.2 Ų | 123.2 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.2 | -30.9 | 175.7 | -71.9 | 170.7 | -178.2 | 0 | 0 | 111.7 | Q143 | Q143-E147 WeakPolarHBondContact O-CB 3.36Å; Q143-E147 VanDerWaalsContact O-CG 3.3Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 3.19Å |
| 148 | S | 59.6 | Low | 60 | Low | 69 Ų | 69 | 121.8 Ų | 121.8 | 48% | 0.483 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -86.8 | -14.3 | 173 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | L144 I145 Q146 F150 | L144-S148 WeakPolarHBondContact O-CB 3.39Å; L144-S148 PolarHBondContact O-N 3.47Å; L144-S148 VanDerWaalsContact O-N 3.15Å; L144-S148 PolarHBondContact O-OG 3.44Å; I145-S148 WeakPolarHBondContact CA-OG 3.19Å; I145-S148 PolarHBondContact O-N 2.76Å; I145-S148 PolarHBondContact O-OG 3.05Å; Q146-S148 VanDerWaalsContact C-N 3.26Å; Q146-S148 PolarHBondContact O-N 3.09Å; S148-F150 VanDerWaalsContact C-N 3.34Å; S148-F150 PolarHBondContact O-N 2.88Å |
| 149 | K | 65.6 | Low | 60 | Low | 173 Ų | 173 | 128.1 Ų | 128.1 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.9 | -22.5 | -177.9 | -173.3 | 174.3 | -179 | -175.5 | 0 | 113.4 | I145 Q146 | I145-K149 VanDerWaalsContact O-CB 3.24Å; I145-K149 WeakPolarHBondContact O-CB 3.38Å; I145-K149 PolarHBondContact O-N 2.66Å; Q146-K149 PolarHBondContact O-N 3.46Å |
| 150 | F | 50.9 | Low | 59.7 | Low | 199 Ų | 199 | 128 Ų | 128 | 87% | 0.873 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 15.6 | -179.6 | -125.5 | -94.5 | 0 | 0 | 0 | 113.5 | S148 | S148-F150 VanDerWaalsContact C-N 3.34Å; S148-F150 PolarHBondContact O-N 2.88Å |
| 151 | L | 51 | Low | 59.4 | Low | 79 Ų | 79 | 125.8 Ų | 125.8 | 41% | 0.414 | 64% | 0.639 | S | S | . | * | trans | -113.2 | 38.7 | -172.6 | -143.7 | 74.5 | 0 | 0 | 0 | 112.4 | H157 | L151-H157 HydrophobicContact CD1-CB 3.25Å; L151-H157 HydrophobicContact CD2-CB 3.95Å; L151-H157 WeakPolarHBondContact CD2-O 3.32Å; L151-H157 HydrophobicContact CG-CB 3.37Å; L151-H157 VanDerWaalsContact CG-O 3.29Å; L151-H157 WeakPolarHBondContact CG-O 3.35Å | ||
| 152 | G | 56.7 | Low | 59.6 | Low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -133.6 | 89.8 | -176 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 153 | G | 60.4 | Low | 59.6 | Low | 64 Ų | 64 | 120.7 Ų | 120.7 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 167.5 | -32.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 154 | D | 50.8 | Low | 60 | Low | 126 Ų | 126 | 119.9 Ų | 119.9 | 67% | 0.674 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -115.8 | 140.6 | -172.6 | -68.4 | -27.4 | 0 | 0 | 0 | 112.6 | E156 H157 T158 | D154-E156 PolarHBondContact O-N 3.02Å; D154-H157 PolarHBondContact O-N 2.94Å; D154-H157 VanDerWaalsContact O-N 3.08Å; D154-T158 PolarHBondContact O-N 2.62Å |
| 155 | M | 51.2 | Low | 60.2 | Low | 184 Ų | 184 | 118.3 Ų | 118.3 | 91% | 0.906 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -24.2 | -172.4 | -70.6 | -176.4 | 61 | 0 | 0 | 114.6 | ||
| 156 | E | 57 | Low | 61.1 | Low | 173 Ų | 173 | 121.1 Ų | 121.1 | 81% | 0.808 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -18.8 | -174.4 | -63.9 | -174.4 | 155.1 | 0 | 0 | 113.8 | D154 | D154-E156 PolarHBondContact O-N 3.02Š|
| 157 | H | 52.9 | Low | 61.9 | Low | 107 Ų | 107 | 117 Ų | 117 | 50% | 0.495 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -128.3 | -3.3 | -174.2 | -57.4 | 85.7 | 0 | 0 | 0 | 114.9 | L151 D154 H159 | L151-H157 HydrophobicContact CD1-CB 3.25Å; L151-H157 HydrophobicContact CD2-CB 3.95Å; L151-H157 WeakPolarHBondContact CD2-O 3.32Å; L151-H157 HydrophobicContact CG-CB 3.37Å; L151-H157 VanDerWaalsContact CG-O 3.29Å; L151-H157 WeakPolarHBondContact CG-O 3.35Å; D154-H157 PolarHBondContact O-N 2.94Å; D154-H157 VanDerWaalsContact O-N 3.08Å; H157-H159 PolarHBondContact O-N 3.39Å |
| 158 | T | 54.8 | Low | 62.9 | Low | 57 Ų | 57 | 114.4 Ų | 114.4 | 35% | 0.35 | 62% | 0.618 | S | S | . | * | trans | -68.1 | 112.4 | 162.6 | 50.2 | 0 | 0 | 0 | 0 | 109.4 | D154 L160 | D154-T158 PolarHBondContact O-N 2.62Å; T158-L160 PolarHBondContact O-N 2.98Å | ||
| 159 | H | 59.3 | Low | 64.1 | Low | 185 Ų | 185 | 115.6 Ų | 115.6 | 86% | 0.856 | 62% | 0.619 | S | S | * | * | trans | -67.6 | 89.9 | 161.6 | -118.8 | 78.9 | 0 | 0 | 0 | 107 | H157 V161 | H157-H159 PolarHBondContact O-N 3.39Å; H159-V161 PolarHBondContact O-N 2.62Å | ||
| 160 | L | 61.6 | Low | 65.1 | Low | 100 Ų | 100 | 113.3 Ų | 113.3 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | trans | -55.8 | 109.4 | 164.8 | -67.9 | 173.8 | 0 | 0 | 0 | 105.6 | T158 K162 | T158-L160 PolarHBondContact O-N 2.98Å; L160-K162 PolarHBondContact O-N 2.85Å | ||
| 161 | V | 59.4 | Low | 67.1 | Low | 108 Ų | 108 | 110.5 Ų | 110.5 | 66% | 0.655 | 60% | 0.598 | S | S | * | * | trans | -54.6 | 116.9 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 105.9 | H159 G163 L164 | H159-V161 PolarHBondContact O-N 2.62Å; V161-G163 PolarHBondContact O-N 2.86Å; V161-L164 HydrophobicContact CB-CB 4.43Å; V161-L164 WeakPolarHBondContact O-CB 2.63Å; V161-L164 PolarHBondContact O-N 3.31Å | ||
| 162 | K | 64.9 | Low | 69 | Low | 213 Ų | 213 | 110.1 Ų | 110.1 | 93% | 0.926 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 112.8 | -177.3 | -90.2 | 179.9 | 175.8 | 172.1 | 0 | 108.9 | L160 | L160-K162 PolarHBondContact O-N 2.85Š|
| 163 | G | 68.6 | Low | 70.8 | Confident | 42 Ų | 42 | 114.4 Ų | 114.4 | 43% | 0.433 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 103.4 | -0.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V161 D165 F166 A167 | V161-G163 PolarHBondContact O-N 2.86Å; G163-D165 VanDerWaalsContact C-N 3.34Å; G163-F166 PolarHBondContact O-N 3.48Å; G163-A167 VanDerWaalsContact O-CB 3.28Å; G163-A167 WeakPolarHBondContact O-CB 3.07Å; G163-A167 PolarHBondContact O-N 3.45Å |
| 164 | L | 78.9 | Confident | 72.1 | Confident | 81 Ų | 81 | 113.9 Ų | 113.9 | 42% | 0.424 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.9 | -47.2 | 165.8 | 176.9 | 62.7 | 0 | 0 | 0 | 110 | V161 F166 A167 L168 | V161-L164 HydrophobicContact CB-CB 4.43Å; V161-L164 WeakPolarHBondContact O-CB 2.63Å; V161-L164 PolarHBondContact O-N 3.31Å; L164-F166 PolarHBondContact O-N 2.71Å; L164-A167 CarbonylContact O-C 3.55Å; L164-A167 PolarHBondContact O-N 3.42Å; L164-A167 VanDerWaalsContact O-N 3.16Å; L164-L168 HydrophobicContact CD1-CD1 4.04Å; L164-L168 HydrophobicContact CD1-CG 4.32Å; L164-L168 HydrophobicContact CD2-CD1 4.48Å; L164-L168 HydrophobicContact CG-CD1 3.82Å; L164-L168 WeakPolarHBondContact O-CB 3.18Å; L164-L168 WeakPolarHBondContact O-CG 3.34Å; L164-L168 PolarHBondContact O-N 2.92Å |
| 165 | D | 71 | Confident | 74 | Confident | 89 Ų | 89 | 112.1 Ų | 112.1 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.9 | -34.7 | 176.4 | -60.9 | -10.6 | 0 | 0 | 0 | 111.4 | G163 L169 | G163-D165 VanDerWaalsContact C-N 3.34Å; D165-L169 WeakPolarHBondContact O-CB 3.39Å; D165-L169 WeakPolarHBondContact O-CD1 3.5Å; D165-L169 WeakPolarHBondContact O-CG 3.43Å; D165-L169 PolarHBondContact O-N 2.76Å |
| 166 | F | 80.3 | Confident | 75.7 | Confident | 139 Ų | 139 | 107.4 Ų | 107.4 | 61% | 0.61 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.2 | -39.5 | 175 | -169.4 | -95.2 | 0 | 0 | 0 | 111.9 | G163 L164 L169 Q170 | G163-F166 PolarHBondContact O-N 3.48Å; L164-F166 PolarHBondContact O-N 2.71Å; F166-L169 PolarHBondContact O-N 2.87Å; F166-Q170 WeakPolarHBondContact O-CB 3.28Å; F166-Q170 PolarHBondContact O-N 3.13Å |
| 167 | A | 84 | Confident | 77.3 | Confident | 53 Ų | 53 | 103.2 Ų | 103.2 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | G163 L164 Q170 K171 | G163-A167 VanDerWaalsContact O-CB 3.28Å; G163-A167 WeakPolarHBondContact O-CB 3.07Å; G163-A167 PolarHBondContact O-N 3.45Å; L164-A167 CarbonylContact O-C 3.55Å; L164-A167 PolarHBondContact O-N 3.42Å; L164-A167 VanDerWaalsContact O-N 3.16Å; A167-Q170 PolarHBondContact O-N 2.81Å; A167-K171 VanDerWaalsContact O-CB 3.25Å; A167-K171 WeakPolarHBondContact O-CB 3.39Å; A167-K171 PolarHBondContact O-N 3.17Å |
| 168 | L | 81.9 | Confident | 79.1 | Confident | 85 Ų | 85 | 100.8 Ų | 100.8 | 45% | 0.445 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 172.1 | -81 | 162.2 | 0 | 0 | 0 | 110.7 | L164 Q170 K171 V172 | L164-L168 HydrophobicContact CD1-CD1 4.04Å; L164-L168 HydrophobicContact CD1-CG 4.32Å; L164-L168 HydrophobicContact CD2-CD1 4.48Å; L164-L168 HydrophobicContact CG-CD1 3.82Å; L164-L168 WeakPolarHBondContact O-CB 3.18Å; L164-L168 WeakPolarHBondContact O-CG 3.34Å; L164-L168 PolarHBondContact O-N 2.92Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 2.79Å; L168-K171 PolarHBondContact O-N 3.05Å; L168-V172 WeakPolarHBondContact O-CB 3.36Å; L168-V172 VanDerWaalsContact O-CG2 3.24Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 3.3Å |
| 169 | L | 84.9 | Confident | 80.8 | Confident | 94 Ų | 94 | 103.2 Ų | 103.2 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 173.9 | -82 | 165.4 | 0 | 0 | 0 | 111.8 | D165 F166 V172 R173 | D165-L169 WeakPolarHBondContact O-CB 3.39Å; D165-L169 WeakPolarHBondContact O-CD1 3.5Å; D165-L169 WeakPolarHBondContact O-CG 3.43Å; D165-L169 PolarHBondContact O-N 2.76Å; F166-L169 PolarHBondContact O-N 2.87Å; L169-V172 PolarHBondContact O-N 3.16Å; L169-R173 VanDerWaalsContact O-CB 3.22Å; L169-R173 WeakPolarHBondContact O-CB 3.35Å; L169-R173 WeakPolarHBondContact O-CG 3.5Å; L169-R173 PolarHBondContact O-N 3.48Å |
| 170 | Q | 87.1 | Confident | 82 | Confident | 125 Ų | 125 | 99.9 Ų | 99.9 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.1 | -37.8 | 176.5 | -170.2 | 174.1 | -2.6 | 0 | 0 | 111.3 | F166 A167 L168 A174 | F166-Q170 WeakPolarHBondContact O-CB 3.28Å; F166-Q170 PolarHBondContact O-N 3.13Å; A167-Q170 PolarHBondContact O-N 2.81Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 2.79Å; Q170-A174 WeakPolarHBondContact O-CB 3.21Å; Q170-A174 PolarHBondContact O-N 3.4Å |
| 171 | K | 92.1 | Very high | 83.2 | Confident | 140 Ų | 140 | 101.3 Ų | 101.3 | 61% | 0.609 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.5 | -45.9 | 173.6 | -177.4 | -179.1 | 177.5 | -174.9 | 0 | 111.7 | A167 L168 A174 E175 | A167-K171 VanDerWaalsContact O-CB 3.25Å; A167-K171 WeakPolarHBondContact O-CB 3.39Å; A167-K171 PolarHBondContact O-N 3.17Å; L168-K171 PolarHBondContact O-N 3.05Å; K171-A174 PolarHBondContact O-N 3.31Å; K171-E175 VanDerWaalsContact O-CB 3.25Å; K171-E175 WeakPolarHBondContact O-CB 3.43Å; K171-E175 PolarHBondContact O-N 2.76Å |
| 172 | V | 91.8 | Very high | 84.2 | Confident | 71 Ų | 71 | 101.4 Ų | 101.4 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 178.3 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | L168 L169 E175 I176 | L168-V172 WeakPolarHBondContact O-CB 3.36Å; L168-V172 VanDerWaalsContact O-CG2 3.24Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 3.3Å; L169-V172 PolarHBondContact O-N 3.16Å; V172-E175 PolarHBondContact O-N 2.8Å; V172-I176 HydrophobicContact CG1-CD1 3.83Å; V172-I176 HydrophobicContact CG1-CG1 4.44Å; V172-I176 WeakPolarHBondContact O-CB 3.24Å; V172-I176 VanDerWaalsContact O-CG1 3.23Å; V172-I176 WeakPolarHBondContact O-CG1 3.23Å; V172-I176 PolarHBondContact O-N 2.83Å |
| 173 | R | 93.1 | Very high | 84.9 | Confident | 167 Ų | 167 | 96.4 Ų | 96.4 | 63% | 0.63 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.9 | -45.8 | 172.6 | -75.7 | 175.3 | 176.6 | -171.6 | -2.3 | 111.5 | L169 E175 I176 T177 | L169-R173 VanDerWaalsContact O-CB 3.22Å; L169-R173 WeakPolarHBondContact O-CB 3.35Å; L169-R173 WeakPolarHBondContact O-CG 3.5Å; L169-R173 PolarHBondContact O-N 3.48Å; R173-E175 VanDerWaalsContact C-N 3.31Å; R173-E175 PolarHBondContact O-N 2.89Å; R173-I176 PolarHBondContact O-N 2.81Å; R173-T177 WeakPolarHBondContact O-CG2 3.36Å; R173-T177 PolarHBondContact O-N 3.5Å; R173-T177 PolarHBondContact O-OG1 2.76Å; R173-T177 VanDerWaalsContact O-OG1 3.12Å |
| 174 | A | 87.9 | Confident | 85.3 | Confident | 53 Ų | 53 | 100.6 Ų | 100.6 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q170 K171 T177 S178 | Q170-A174 WeakPolarHBondContact O-CB 3.21Å; Q170-A174 PolarHBondContact O-N 3.4Å; K171-A174 PolarHBondContact O-N 3.31Å; A174-T177 WeakPolarHBondContact CA-OG1 3.45Å; A174-T177 PolarHBondContact O-N 3.08Å; A174-T177 PolarHBondContact O-OG1 3.11Å; A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.32Å; A174-S178 PolarHBondContact O-N 2.97Å |
| 175 | E | 91.5 | Very high | 85.1 | Confident | 89 Ų | 89 | 100 Ų | 100 | 42% | 0.416 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 177.6 | -168.2 | -176.8 | 152 | 0 | 0 | 112 | K171 V172 R173 S178 K179 | K171-E175 VanDerWaalsContact O-CB 3.25Å; K171-E175 WeakPolarHBondContact O-CB 3.43Å; K171-E175 PolarHBondContact O-N 2.76Å; V172-E175 PolarHBondContact O-N 2.8Å; R173-E175 VanDerWaalsContact C-N 3.31Å; R173-E175 PolarHBondContact O-N 2.89Å; E175-S178 PolarHBondContact O-N 3.48Å; E175-K179 HydrophobicContact CG-CD 4.45Å; E175-K179 WeakPolarHBondContact O-CB 3.38Å; E175-K179 PolarHBondContact O-N 3.15Å; E175-K179 IonicContact OE1-NZ 2.88Å; E175-K179 PolarHBondContact OE1-NZ 2.9Å |
| 176 | I | 87.6 | Confident | 85.2 | Confident | 85 Ų | 85 | 101.4 Ų | 101.4 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 174.4 | -68.8 | 164.2 | 0 | 0 | 0 | 109.7 | V172 R173 S178 K179 E180 | V172-I176 HydrophobicContact CG1-CD1 3.83Å; V172-I176 HydrophobicContact CG1-CG1 4.44Å; V172-I176 WeakPolarHBondContact O-CB 3.24Å; V172-I176 VanDerWaalsContact O-CG1 3.23Å; V172-I176 WeakPolarHBondContact O-CG1 3.23Å; V172-I176 PolarHBondContact O-N 2.83Å; R173-I176 PolarHBondContact O-N 2.81Å; I176-S178 VanDerWaalsContact C-N 3.29Å; I176-S178 PolarHBondContact O-N 2.95Å; I176-K179 PolarHBondContact O-N 3.07Å; I176-E180 HydrophobicContact CG2-CG 4.33Å; I176-E180 WeakPolarHBondContact O-CB 3.42Å; I176-E180 VanDerWaalsContact O-CG 3.32Å; I176-E180 WeakPolarHBondContact O-CG 3.32Å; I176-E180 PolarHBondContact O-N 3.14Å |
| 177 | T | 89.6 | Confident | 84.5 | Confident | 84 Ų | 84 | 100.2 Ų | 100.2 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -31.9 | 179 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | R173 A174 K181 | R173-T177 WeakPolarHBondContact O-CG2 3.36Å; R173-T177 PolarHBondContact O-N 3.5Å; R173-T177 PolarHBondContact O-OG1 2.76Å; R173-T177 VanDerWaalsContact O-OG1 3.12Å; A174-T177 WeakPolarHBondContact CA-OG1 3.45Å; A174-T177 PolarHBondContact O-N 3.08Å; A174-T177 PolarHBondContact O-OG1 3.11Å; T177-K181 VanDerWaalsContact O-CB 3.26Å; T177-K181 WeakPolarHBondContact O-CB 3.49Å; T177-K181 PolarHBondContact O-N 3.45Å |
| 178 | S | 90.6 | Very high | 83.8 | Confident | 56 Ų | 56 | 102.9 Ų | 102.9 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.1 | -44.6 | 174.8 | -163.7 | 0 | 0 | 0 | 0 | 110.5 | A174 E175 I176 K181 E182 | A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.32Å; A174-S178 PolarHBondContact O-N 2.97Å; E175-S178 PolarHBondContact O-N 3.48Å; I176-S178 VanDerWaalsContact C-N 3.29Å; I176-S178 PolarHBondContact O-N 2.95Å; S178-K181 PolarHBondContact O-N 2.8Å; S178-E182 WeakPolarHBondContact O-CB 3.22Å; S178-E182 VanDerWaalsContact O-CG 3.26Å; S178-E182 WeakPolarHBondContact O-CG 3.19Å; S178-E182 PolarHBondContact O-N 2.84Å; S178-E182 PolarHBondContact OG-OE1 3.27Å; S178-E182 VanDerWaalsContact OG-OE1 3.1Å |
| 179 | K | 90.2 | Very high | 83 | Confident | 109 Ų | 109 | 105 Ų | 105 | 47% | 0.474 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 175.1 | -87.1 | 173.3 | 171.5 | 156.9 | 0 | 111.8 | E175 I176 K181 E182 E183 | E175-K179 HydrophobicContact CG-CD 4.45Å; E175-K179 WeakPolarHBondContact O-CB 3.38Å; E175-K179 PolarHBondContact O-N 3.15Å; E175-K179 IonicContact OE1-NZ 2.88Å; E175-K179 PolarHBondContact OE1-NZ 2.9Å; I176-K179 PolarHBondContact O-N 3.07Å; K179-K181 VanDerWaalsContact C-N 3.31Å; K179-K181 PolarHBondContact O-N 3.23Å; K179-E182 PolarHBondContact O-N 3.47Å; K179-E183 WeakPolarHBondContact O-CB 3.36Å; K179-E183 WeakPolarHBondContact O-CG 3.34Å; K179-E183 PolarHBondContact O-N 2.8Å |
| 180 | E | 85.1 | Confident | 81.8 | Confident | 114 Ų | 114 | 104.7 Ų | 104.7 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 176.5 | -74.3 | 174.8 | 171.1 | 0 | 0 | 111.6 | I176 E183 E184 | I176-E180 HydrophobicContact CG2-CG 4.33Å; I176-E180 WeakPolarHBondContact O-CB 3.42Å; I176-E180 VanDerWaalsContact O-CG 3.32Å; I176-E180 WeakPolarHBondContact O-CG 3.32Å; I176-E180 PolarHBondContact O-N 3.14Å; E180-E183 PolarHBondContact O-N 3.43Å; E180-E184 WeakPolarHBondContact O-CB 3.49Å; E180-E184 PolarHBondContact O-N 3.25Å |
| 181 | K | 86.1 | Confident | 80.3 | Confident | 131 Ų | 131 | 104 Ų | 104 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70 | -38.7 | 176.1 | -171.6 | 177.6 | -180 | -178.4 | 0 | 112.5 | T177 S178 K179 E184 D185 | T177-K181 VanDerWaalsContact O-CB 3.26Å; T177-K181 WeakPolarHBondContact O-CB 3.49Å; T177-K181 PolarHBondContact O-N 3.45Å; S178-K181 PolarHBondContact O-N 2.8Å; K179-K181 VanDerWaalsContact C-N 3.31Å; K179-K181 PolarHBondContact O-N 3.23Å; K181-E184 PolarHBondContact O-N 3.03Å; K181-D185 VanDerWaalsContact O-CB 3.32Å; K181-D185 WeakPolarHBondContact O-CB 3.28Å; K181-D185 VanDerWaalsContact O-CG 3.28Å; K181-D185 PolarHBondContact O-N 2.82Å |
| 182 | E | 80.8 | Confident | 78.5 | Confident | 109 Ų | 109 | 103.2 Ų | 103.2 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 174.4 | -76.9 | 169.2 | -149.8 | 0 | 0 | 111.6 | S178 K179 M186 | S178-E182 WeakPolarHBondContact O-CB 3.22Å; S178-E182 VanDerWaalsContact O-CG 3.26Å; S178-E182 WeakPolarHBondContact O-CG 3.19Å; S178-E182 PolarHBondContact O-N 2.84Å; S178-E182 PolarHBondContact OG-OE1 3.27Å; S178-E182 VanDerWaalsContact OG-OE1 3.1Å; K179-E182 PolarHBondContact O-N 3.47Å; E182-M186 VanDerWaalsContact O-CB 3.29Å; E182-M186 WeakPolarHBondContact O-CB 3.33Å; E182-M186 VanDerWaalsContact O-CG 3.32Å; E182-M186 WeakPolarHBondContact O-CG 3.33Å; E182-M186 PolarHBondContact O-N 2.78Å |
| 183 | E | 79.3 | Confident | 76.6 | Confident | 109 Ų | 109 | 105.8 Ų | 105.8 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.3 | -39.4 | 172.3 | -76.9 | 179.7 | -173.7 | 0 | 0 | 111.8 | K179 E180 M186 M187 | K179-E183 WeakPolarHBondContact O-CB 3.36Å; K179-E183 WeakPolarHBondContact O-CG 3.34Å; K179-E183 PolarHBondContact O-N 2.8Å; E180-E183 PolarHBondContact O-N 3.43Å; E183-M186 PolarHBondContact O-N 3.33Å; E183-M187 WeakPolarHBondContact O-CB 3.32Å; E183-M187 WeakPolarHBondContact O-CG 3.18Å; E183-M187 PolarHBondContact O-N 3.24Å |
| 184 | E | 77.8 | Confident | 74.6 | Confident | 130 Ų | 130 | 102 Ų | 102 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.4 | -44.7 | 172.8 | -169.9 | 174.9 | -165 | 0 | 0 | 111 | E180 K181 M186 M187 E188 | E180-E184 WeakPolarHBondContact O-CB 3.49Å; E180-E184 PolarHBondContact O-N 3.25Å; K181-E184 PolarHBondContact O-N 3.03Å; E184-M186 VanDerWaalsContact C-N 3.35Å; E184-M186 PolarHBondContact O-N 2.83Å; E184-M187 PolarHBondContact O-N 3.24Å; E184-E188 WeakPolarHBondContact O-CB 3.22Å; E184-E188 PolarHBondContact O-N 3.4Å |
| 185 | D | 74.7 | Confident | 72.8 | Confident | 67 Ų | 67 | 106.8 Ų | 106.8 | 36% | 0.358 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -34.7 | 175.5 | -76.4 | -14.6 | 0 | 0 | 0 | 111.7 | K181 K189 | K181-D185 VanDerWaalsContact O-CB 3.32Å; K181-D185 WeakPolarHBondContact O-CB 3.28Å; K181-D185 VanDerWaalsContact O-CG 3.28Å; K181-D185 PolarHBondContact O-N 2.82Å; D185-K189 WeakPolarHBondContact O-CB 3.29Å; D185-K189 WeakPolarHBondContact O-CG 3.27Å; D185-K189 PolarHBondContact O-N 2.81Å |
| 186 | M | 73.2 | Confident | 70.5 | Confident | 119 Ų | 119 | 110 Ų | 110 | 59% | 0.586 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.8 | -43.6 | 172.6 | -83 | -154.1 | -66.5 | 0 | 0 | 111.5 | E182 E183 E184 E188 K189 V190 | E182-M186 VanDerWaalsContact O-CB 3.29Å; E182-M186 WeakPolarHBondContact O-CB 3.33Å; E182-M186 VanDerWaalsContact O-CG 3.32Å; E182-M186 WeakPolarHBondContact O-CG 3.33Å; E182-M186 PolarHBondContact O-N 2.78Å; E183-M186 PolarHBondContact O-N 3.33Å; E184-M186 VanDerWaalsContact C-N 3.35Å; E184-M186 PolarHBondContact O-N 2.83Å; M186-E188 VanDerWaalsContact C-N 3.32Å; M186-E188 PolarHBondContact O-N 3.48Å; M186-K189 PolarHBondContact O-N 3.38Å; M186-V190 WeakPolarHBondContact O-CB 3.19Å; M186-V190 VanDerWaalsContact O-CG2 3.24Å; M186-V190 WeakPolarHBondContact O-CG2 3.36Å; M186-V190 PolarHBondContact O-N 3.1Å |
| 187 | M | 64.4 | Low | 68.3 | Low | 114 Ų | 114 | 112.7 Ų | 112.7 | 56% | 0.562 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.2 | -36 | 174.4 | -78.3 | -165.9 | -75.2 | 0 | 0 | 111.6 | E183 E184 Q191 | E183-M187 WeakPolarHBondContact O-CB 3.32Å; E183-M187 WeakPolarHBondContact O-CG 3.18Å; E183-M187 PolarHBondContact O-N 3.24Å; E184-M187 PolarHBondContact O-N 3.24Å; M187-Q191 VanDerWaalsContact O-CB 3.29Å; M187-Q191 WeakPolarHBondContact O-CB 3.29Å; M187-Q191 WeakPolarHBondContact O-CG 3.44Å; M187-Q191 PolarHBondContact O-N 3.02Å |
| 188 | E | 69.7 | Low | 66.3 | Low | 109 Ų | 109 | 113.5 Ų | 113.5 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.7 | -42.4 | 173.9 | -168.6 | -176.8 | 170.7 | 0 | 0 | 110.8 | E184 M186 Q191 K192 | E184-E188 WeakPolarHBondContact O-CB 3.22Å; E184-E188 PolarHBondContact O-N 3.4Å; M186-E188 VanDerWaalsContact C-N 3.32Å; M186-E188 PolarHBondContact O-N 3.48Å; E188-Q191 CarbonylContact O-C 3.58Å; E188-Q191 PolarHBondContact O-N 3.02Å; E188-K192 WeakPolarHBondContact O-CB 3.32Å; E188-K192 PolarHBondContact O-N 2.97Å |
| 189 | K | 64.8 | Low | 64.2 | Low | 131 Ų | 131 | 118.5 Ų | 118.5 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.6 | -45.7 | 174.3 | -77.4 | 169.4 | -173.7 | 172.4 | 0 | 111.8 | D185 M186 Q191 K192 E193 | D185-K189 WeakPolarHBondContact O-CB 3.29Å; D185-K189 WeakPolarHBondContact O-CG 3.27Å; D185-K189 PolarHBondContact O-N 2.81Å; M186-K189 PolarHBondContact O-N 3.38Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Q191 PolarHBondContact O-N 2.9Å; K189-K192 CarbonylContact O-C 3.59Å; K189-K192 PolarHBondContact O-N 2.85Å; K189-E193 WeakPolarHBondContact O-CB 3.26Å; K189-E193 WeakPolarHBondContact O-CG 3.35Å; K189-E193 PolarHBondContact O-N 3.18Å |
| 190 | V | 60.2 | Low | 62.4 | Low | 86 Ų | 86 | 119 Ų | 119 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.9 | -39.7 | 174.9 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | M186 K192 E193 T194 | M186-V190 WeakPolarHBondContact O-CB 3.19Å; M186-V190 VanDerWaalsContact O-CG2 3.24Å; M186-V190 WeakPolarHBondContact O-CG2 3.36Å; M186-V190 PolarHBondContact O-N 3.1Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 2.9Å; V190-E193 PolarHBondContact O-N 2.9Å; V190-T194 HydrophobicContact CG1-CG2 4.46Å; V190-T194 WeakPolarHBondContact O-CB 3.32Å; V190-T194 VanDerWaalsContact O-CG2 3.23Å; V190-T194 WeakPolarHBondContact O-CG2 3.42Å; V190-T194 PolarHBondContact O-N 3.09Å; V190-T194 PolarHBondContact O-OG1 3.26Å |
| 191 | Q | 55.8 | Low | 61.1 | Low | 111 Ų | 111 | 117 Ų | 117 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.8 | -24.1 | 172.9 | -75.8 | -179.1 | 33.2 | 0 | 0 | 113.8 | M187 E188 K189 T194 K195 | M187-Q191 VanDerWaalsContact O-CB 3.29Å; M187-Q191 WeakPolarHBondContact O-CB 3.29Å; M187-Q191 WeakPolarHBondContact O-CG 3.44Å; M187-Q191 PolarHBondContact O-N 3.02Å; E188-Q191 CarbonylContact O-C 3.58Å; E188-Q191 PolarHBondContact O-N 3.02Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Q191 PolarHBondContact O-N 2.9Å; Q191-T194 VanDerWaalsContact CA-OG1 3.22Å; Q191-T194 WeakPolarHBondContact CA-OG1 3.32Å; Q191-T194 PolarHBondContact O-OG1 3.18Å; Q191-K195 VanDerWaalsContact O-CD 3.27Å; Q191-K195 WeakPolarHBondContact O-CD 3.32Å; Q191-K195 WeakPolarHBondContact O-CG 3.12Å |
| 192 | K | 55.4 | Low | 59.8 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 54% | 0.535 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -88 | -29.2 | 177.8 | -159.3 | 170.9 | -170.9 | 170.1 | 0 | 111.7 | E188 K189 V190 K196 | E188-K192 WeakPolarHBondContact O-CB 3.32Å; E188-K192 PolarHBondContact O-N 2.97Å; K189-K192 CarbonylContact O-C 3.59Å; K189-K192 PolarHBondContact O-N 2.85Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 2.9Å; K192-K196 WeakPolarHBondContact O-CB 3.35Å; K192-K196 VanDerWaalsContact O-CG 3.32Å; K192-K196 WeakPolarHBondContact O-CG 3.34Å; K192-K196 PolarHBondContact O-N 3.15Å; K192-K196 VanDerWaalsContact O-N 3.16Å |
| 193 | E | 50.7 | Low | 59 | Low | 126 Ų | 126 | 122.9 Ų | 122.9 | 59% | 0.589 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.7 | -44 | 173.1 | -73.3 | -172.8 | 178.7 | 0 | 0 | 111.2 | K189 V190 K195 K196 D197 | K189-E193 WeakPolarHBondContact O-CB 3.26Å; K189-E193 WeakPolarHBondContact O-CG 3.35Å; K189-E193 PolarHBondContact O-N 3.18Å; V190-E193 PolarHBondContact O-N 2.9Å; E193-K195 PolarHBondContact O-N 3.4Å; E193-K195 VanDerWaalsContact O-N 3.13Å; E193-K196 WeakPolarHBondContact O-CA 3.33Å; E193-K196 PolarHBondContact O-N 3.32Å; E193-D197 PolarHBondContact O-N 3.05Å |
| 194 | T | 51.4 | Low | 59 | Low | 88 Ų | 88 | 121.4 Ų | 121.4 | 54% | 0.54 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.1 | -25.1 | 169.5 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | V190 Q191 | V190-T194 HydrophobicContact CG1-CG2 4.46Å; V190-T194 WeakPolarHBondContact O-CB 3.32Å; V190-T194 VanDerWaalsContact O-CG2 3.23Å; V190-T194 WeakPolarHBondContact O-CG2 3.42Å; V190-T194 PolarHBondContact O-N 3.09Å; V190-T194 PolarHBondContact O-OG1 3.26Å; Q191-T194 VanDerWaalsContact CA-OG1 3.22Å; Q191-T194 WeakPolarHBondContact CA-OG1 3.32Å; Q191-T194 PolarHBondContact O-OG1 3.18Å |
| 195 | K | 49.6 | Very low | 59.3 | Low | 153 Ų | 153 | 123.9 Ų | 123.9 | 67% | 0.665 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -16.1 | 171.9 | -74.7 | 173 | -173.5 | 168.6 | 0 | 114.2 | Q191 E193 | Q191-K195 VanDerWaalsContact O-CD 3.27Å; Q191-K195 WeakPolarHBondContact O-CD 3.32Å; Q191-K195 WeakPolarHBondContact O-CG 3.12Å; E193-K195 PolarHBondContact O-N 3.4Å; E193-K195 VanDerWaalsContact O-N 3.13Å |
| 196 | K | 43.4 | Very low | 59.9 | Low | 155 Ų | 155 | 122.9 Ų | 122.9 | 67% | 0.674 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -23.1 | 178.2 | -84 | -179.3 | 174.9 | -174 | 0 | 113.2 | K192 E193 V198 | K192-K196 WeakPolarHBondContact O-CB 3.35Å; K192-K196 VanDerWaalsContact O-CG 3.32Å; K192-K196 WeakPolarHBondContact O-CG 3.34Å; K192-K196 PolarHBondContact O-N 3.15Å; K192-K196 VanDerWaalsContact O-N 3.16Å; E193-K196 WeakPolarHBondContact O-CA 3.33Å; E193-K196 PolarHBondContact O-N 3.32Å; K196-V198 PolarHBondContact O-N 2.97Å |
| 197 | D | 40.7 | Very low | 60.7 | Low | 142 Ų | 142 | 127.3 Ų | 127.3 | 76% | 0.759 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -78.6 | -0.9 | 173.7 | -71.4 | -24 | 0 | 0 | 0 | 113.9 | E193 E199 | E193-D197 PolarHBondContact O-N 3.05Å; D197-E199 PolarHBondContact O-N 3.11Å |
| 198 | V | 49.3 | Very low | 62.2 | Low | 102 Ų | 102 | 125.9 Ų | 125.9 | 62% | 0.618 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -78.1 | 77.7 | 157.5 | -169.8 | 0 | 0 | 0 | 0 | 106.4 | K196 | K196-V198 PolarHBondContact O-N 2.97Š|
| 199 | E | 46.7 | Very low | 63.1 | Low | 160 Ų | 160 | 131 Ų | 131 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | trans | -34.4 | 135.2 | 161.1 | -168.4 | 163.4 | -164.5 | 0 | 0 | 108.2 | D197 E201 | D197-E199 PolarHBondContact O-N 3.11Å; E199-E201 PolarHBondContact O-N 3.3Å | ||
| 200 | P | 51.5 | Low | 64.5 | Low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 63% | 0.631 | S | S | * | * | trans | -61.5 | 94 | -177.1 | 26.2 | -33.6 | 0 | 0 | 0 | 107.4 | E202 | P200-E202 PolarHBondContact O-N 2.8Š| ||
| 201 | E | 56.9 | Low | 66 | Low | 74 Ų | 74 | 127.5 Ų | 127.5 | 35% | 0.346 | 62% | 0.617 | S | S | . | * | trans | -48.7 | 112.6 | 172.9 | -82.3 | -170.5 | 138.1 | 0 | 0 | 104.1 | E199 K203 Y215 R220 | E199-E201 PolarHBondContact O-N 3.3Å; E201-K203 PolarHBondContact O-N 2.77Å; E201-Y215 PolarHBondContact OE1-OH 3.45Å; E201-R220 IonicContact OE1-NE 3.83Å; E201-R220 IonicContact OE2-CZ 3.55Å; E201-R220 IonicContact OE2-NE 2.66Å; E201-R220 PolarHBondContact OE2-NE 2.92Å; E201-R220 IonicContact OE2-NH2 3.11Å; E201-R220 PolarHBondContact OE2-NH2 3.33Å | ||
| 202 | E | 60.3 | Low | 67.7 | Low | 168 Ų | 168 | 128.3 Ų | 128.3 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | trans | -38.9 | 120.9 | 162.9 | -71.5 | -179.7 | 152.9 | 0 | 0 | 105 | P200 I204 | P200-E202 PolarHBondContact O-N 2.8Å; E202-I204 WeakPolarHBondContact O-CG1 3.49Å; E202-I204 PolarHBondContact O-N 2.84Å | ||
| 203 | K | 64.1 | Low | 69.4 | Low | 195 Ų | 195 | 126.4 Ų | 126.4 | 85% | 0.848 | 61% | 0.611 | S | S | * | * | trans | -64.5 | 87.4 | -176.6 | -77.2 | 175 | 179.4 | 173.3 | 0 | 106.9 | E201 E205 | E201-K203 PolarHBondContact O-N 2.77Å; K203-E205 PolarHBondContact O-N 2.77Å | ||
| 204 | I | 78.8 | Confident | 71.4 | Confident | 78 Ų | 78 | 125.2 Ų | 125.2 | 40% | 0.4 | 61% | 0.608 | S | S | . | * | trans | -68.7 | 109.8 | 178.6 | -67 | 160.1 | 0 | 0 | 0 | 105.3 | E202 F206 Y215 | E202-I204 WeakPolarHBondContact O-CG1 3.49Å; E202-I204 PolarHBondContact O-N 2.84Å; I204-F206 HydrophobicContact CB-CE2 4.18Å; I204-F206 HydrophobicContact CB-CZ 3.88Å; I204-F206 HydrophobicContact CG2-CD1 4.27Å; I204-F206 HydrophobicContact CG2-CE1 3.59Å; I204-F206 HydrophobicContact CG2-CE2 3.98Å; I204-F206 HydrophobicContact CG2-CZ 3.38Å; I204-F206 VanDerWaalsContact O-CD2 3.32Å; I204-F206 WeakPolarHBondContact O-CD2 3.32Å; I204-F206 WeakPolarHBondContact O-CE2 3.44Å; I204-F206 PolarHBondContact O-N 3.34Å; I204-Y215 HydrophobicContact CD1-CD2 4.39Å; I204-Y215 HydrophobicContact CD1-CE2 3.5Å | ||
| 205 | E | 84.3 | Confident | 73.2 | Confident | 181 Ų | 181 | 122.7 Ų | 122.7 | 85% | 0.846 | 59% | 0.589 | S | S | * | * | trans | -80.9 | 115.1 | 176.4 | -68.7 | -171.7 | 172.3 | 0 | 0 | 109.7 | K203 | K203-E205 PolarHBondContact O-N 2.77Š| ||
| 206 | F | 87.2 | Confident | 75 | Confident | 46 Ų | 46 | 122.1 Ų | 122.1 | 20% | 0.202 | 58% | 0.582 | C | S | . | * | trans | -88.7 | 117.5 | 177.1 | -59.7 | -78.9 | 0 | 0 | 0 | 110.8 | I204 T208 R212 Y215 | I204-F206 HydrophobicContact CB-CE2 4.18Å; I204-F206 HydrophobicContact CB-CZ 3.88Å; I204-F206 HydrophobicContact CG2-CD1 4.27Å; I204-F206 HydrophobicContact CG2-CE1 3.59Å; I204-F206 HydrophobicContact CG2-CE2 3.98Å; I204-F206 HydrophobicContact CG2-CZ 3.38Å; I204-F206 VanDerWaalsContact O-CD2 3.32Å; I204-F206 WeakPolarHBondContact O-CD2 3.32Å; I204-F206 WeakPolarHBondContact O-CE2 3.44Å; I204-F206 PolarHBondContact O-N 3.34Å; F206-T208 VanDerWaalsContact C-N 3.32Å; F206-R212 HydrophobicContact CB-CB 3.71Å; F206-R212 HydrophobicContact CB-CG 4.34Å; F206-R212 HydrophobicContact CD1-CB 4.46Å; F206-R212 HydrophobicContact CD2-CB 3.9Å; F206-R212 HydrophobicContact CD2-CG 3.76Å; F206-R212 HydrophobicContact CE2-CG 4.44Å; F206-R212 HydrophobicContact CG-CB 3.74Å; F206-R212 HydrophobicContact CG-CG 4.15Å; F206-Y215 VanDerWaalsContact CE1-CB 3.4Å; F206-Y215 HydrophobicContact CE1-CD1 4.32Å; F206-Y215 HydrophobicContact CE1-CD2 4.03Å; F206-Y215 AromaticContact CE1-CG 3.68Å; F206-Y215 HydrophobicContact CE1-CG 3.68Å; F206-Y215 AromaticContact CE2-CD1 3.82Å; F206-Y215 HydrophobicContact CE2-CD1 3.82Å; F206-Y215 HydrophobicContact CE2-CE1 4.43Å; F206-Y215 HydrophobicContact CE2-CG 4.03Å; F206-Y215 AromaticContact CZ-CD1 3.35Å; F206-Y215 HydrophobicContact CZ-CD1 3.35Å; F206-Y215 AromaticContact CZ-CD2 3.62Å; F206-Y215 HydrophobicContact CZ-CD2 3.62Å; F206-Y215 HydrophobicContact CZ-CE1 4.04Å; F206-Y215 HydrophobicContact CZ-CE2 4.26Å; F206-Y215 AromaticContact CZ-CG 3.12Å; F206-Y215 HydrophobicContact CZ-CG 3.12Å | ||
| 207 | K | 89.9 | Confident | 77.1 | Confident | 212 Ų | 212 | 119.6 Ų | 119.6 | 92% | 0.922 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -67.1 | -30.2 | 172.4 | -64.8 | -177.3 | 179.3 | 179.2 | 0 | 112.9 | ||
| 208 | T | 94.9 | Very high | 79.3 | Confident | 84 Ų | 84 | 115.8 Ų | 115.8 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -116.8 | 147.4 | -178 | 66.1 | 0 | 0 | 0 | 0 | 112 | F206 L210 G211 R212 | F206-T208 VanDerWaalsContact C-N 3.32Å; T208-L210 VanDerWaalsContact C-N 3.29Å; T208-L210 PolarHBondContact O-N 3.34Å; T208-G211 PolarHBondContact O-N 2.9Å; T208-G211 PolarHBondContact OG1-N 3.12Å; T208-G211 VanDerWaalsContact OG1-N 3.08Å; T208-R212 PolarHBondContact O-N 2.93Å |
| 209 | R | 90.3 | Very high | 80.8 | Confident | 218 Ų | 218 | 118 Ų | 118 | 82% | 0.823 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.1 | -36.7 | 174.5 | -61.9 | -179 | 88 | -175.3 | 6.5 | 111.3 | R212 N213 | R209-R212 PolarHBondContact O-N 3.36Å; R209-N213 VanDerWaalsContact O-CG 3.27Å; R209-N213 PolarHBondContact O-N 3.21Å; R209-N213 VanDerWaalsContact O-N 3.09Å |
| 210 | L | 94 | Very high | 82.1 | Confident | 119 Ų | 119 | 117.1 Ų | 117.1 | 62% | 0.623 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.3 | -47.4 | 177.3 | -176.5 | 62.8 | 0 | 0 | 0 | 111.5 | T208 R212 N213 I214 | T208-L210 VanDerWaalsContact C-N 3.29Å; T208-L210 PolarHBondContact O-N 3.34Å; L210-R212 VanDerWaalsContact C-N 3.31Å; L210-R212 PolarHBondContact O-N 3.38Å; L210-N213 PolarHBondContact O-N 2.82Å; L210-N213 VanDerWaalsContact O-N 3.08Å; L210-I214 HydrophobicContact CD1-CD1 4.22Å; L210-I214 HydrophobicContact CD1-CG1 4.38Å; L210-I214 HydrophobicContact CG-CD1 3.9Å; L210-I214 HydrophobicContact CG-CG1 4.47Å; L210-I214 WeakPolarHBondContact O-CG1 3.48Å; L210-I214 PolarHBondContact O-N 2.98Å |
| 211 | G | 91.9 | Very high | 83.2 | Confident | 23 Ų | 23 | 114.5 Ų | 114.5 | 24% | 0.237 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T208 N213 I214 Y215 | T208-G211 PolarHBondContact O-N 2.9Å; T208-G211 PolarHBondContact OG1-N 3.12Å; T208-G211 VanDerWaalsContact OG1-N 3.08Å; G211-N213 VanDerWaalsContact C-N 3.32Å; G211-N213 PolarHBondContact O-N 3.44Å; G211-I214 PolarHBondContact O-N 3.22Å; G211-Y215 WeakPolarHBondContact O-CB 3.25Å; G211-Y215 PolarHBondContact O-N 3.22Å |
| 212 | R | 91.1 | Very high | 83.9 | Confident | 128 Ų | 128 | 113.7 Ų | 113.7 | 48% | 0.483 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.6 | -40.6 | 173.8 | -169.2 | 179.4 | -61.8 | -178.4 | 1.5 | 112.5 | F206 T208 R209 L210 R216 | F206-R212 HydrophobicContact CB-CB 3.71Å; F206-R212 HydrophobicContact CB-CG 4.34Å; F206-R212 HydrophobicContact CD1-CB 4.46Å; F206-R212 HydrophobicContact CD2-CB 3.9Å; F206-R212 HydrophobicContact CD2-CG 3.76Å; F206-R212 HydrophobicContact CE2-CG 4.44Å; F206-R212 HydrophobicContact CG-CB 3.74Å; F206-R212 HydrophobicContact CG-CG 4.15Å; T208-R212 PolarHBondContact O-N 2.93Å; R209-R212 PolarHBondContact O-N 3.36Å; L210-R212 VanDerWaalsContact C-N 3.31Å; L210-R212 PolarHBondContact O-N 3.38Å; R212-R216 WeakPolarHBondContact O-CB 3.24Å; R212-R216 PolarHBondContact O-N 3.31Å |
| 213 | N | 91.4 | Very high | 84.6 | Confident | 83 Ų | 83 | 112.3 Ų | 112.3 | 44% | 0.444 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72 | -42.2 | -179.5 | -71.2 | -10.9 | 0 | 0 | 0 | 111.6 | R209 L210 G211 R216 V217 | R209-N213 VanDerWaalsContact O-CG 3.27Å; R209-N213 PolarHBondContact O-N 3.21Å; R209-N213 VanDerWaalsContact O-N 3.09Å; L210-N213 PolarHBondContact O-N 2.82Å; L210-N213 VanDerWaalsContact O-N 3.08Å; G211-N213 VanDerWaalsContact C-N 3.32Å; G211-N213 PolarHBondContact O-N 3.44Å; N213-R216 PolarHBondContact O-N 3.5Å; N213-V217 WeakPolarHBondContact O-CG2 3.38Å; N213-V217 PolarHBondContact O-N 3.04Å |
| 214 | I | 91.9 | Very high | 85.2 | Confident | 101 Ų | 101 | 110.5 Ų | 110.5 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.8 | -47.8 | 175.5 | -66.4 | 168.6 | 0 | 0 | 0 | 109.9 | L210 G211 R216 V217 A218 | L210-I214 HydrophobicContact CD1-CD1 4.22Å; L210-I214 HydrophobicContact CD1-CG1 4.38Å; L210-I214 HydrophobicContact CG-CD1 3.9Å; L210-I214 HydrophobicContact CG-CG1 4.47Å; L210-I214 WeakPolarHBondContact O-CG1 3.48Å; L210-I214 PolarHBondContact O-N 2.98Å; G211-I214 PolarHBondContact O-N 3.22Å; I214-R216 VanDerWaalsContact C-N 3.31Å; I214-R216 PolarHBondContact O-N 3.4Å; I214-V217 PolarHBondContact O-N 3.31Å; I214-A218 WeakPolarHBondContact O-CB 3.49Å; I214-A218 PolarHBondContact O-N 3.47Å |
| 215 | Y | 89.8 | Confident | 85.2 | Confident | 36 Ų | 36 | 116.1 Ų | 116.1 | 14% | 0.141 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -60 | -42.8 | 177.4 | -179.5 | -92.8 | 0 | 0 | 0 | 112.1 | E201 I204 F206 G211 V217 A218 F219 R220 | E201-Y215 PolarHBondContact OE1-OH 3.45Å; I204-Y215 HydrophobicContact CD1-CD2 4.39Å; I204-Y215 HydrophobicContact CD1-CE2 3.5Å; F206-Y215 VanDerWaalsContact CE1-CB 3.4Å; F206-Y215 HydrophobicContact CE1-CD1 4.32Å; F206-Y215 HydrophobicContact CE1-CD2 4.03Å; F206-Y215 AromaticContact CE1-CG 3.68Å; F206-Y215 HydrophobicContact CE1-CG 3.68Å; F206-Y215 AromaticContact CE2-CD1 3.82Å; F206-Y215 HydrophobicContact CE2-CD1 3.82Å; F206-Y215 HydrophobicContact CE2-CE1 4.43Å; F206-Y215 HydrophobicContact CE2-CG 4.03Å; F206-Y215 AromaticContact CZ-CD1 3.35Å; F206-Y215 HydrophobicContact CZ-CD1 3.35Å; F206-Y215 AromaticContact CZ-CD2 3.62Å; F206-Y215 HydrophobicContact CZ-CD2 3.62Å; F206-Y215 HydrophobicContact CZ-CE1 4.04Å; F206-Y215 HydrophobicContact CZ-CE2 4.26Å; F206-Y215 AromaticContact CZ-CG 3.12Å; F206-Y215 HydrophobicContact CZ-CG 3.12Å; G211-Y215 WeakPolarHBondContact O-CB 3.25Å; G211-Y215 PolarHBondContact O-N 3.22Å; Y215-V217 VanDerWaalsContact C-N 3.32Å; Y215-V217 PolarHBondContact O-N 2.99Å; Y215-A218 PolarHBondContact O-N 3.41Å; Y215-F219 HydrophobicContact CD2-CB 4.33Å; Y215-F219 AromaticContact CD2-CD2 3.53Å; Y215-F219 HydrophobicContact CD2-CD2 3.53Å; Y215-F219 HydrophobicContact CD2-CE2 4.2Å; Y215-F219 HydrophobicContact CD2-CG 4.19Å; Y215-F219 HydrophobicContact CE2-CB 4.07Å; Y215-F219 AromaticContact CE2-CD2 3.86Å; Y215-F219 HydrophobicContact CE2-CD2 3.86Å; Y215-F219 HydrophobicContact CE2-CG 4.09Å; Y215-F219 HydrophobicContact CG-CD2 4.18Å; Y215-F219 WeakPolarHBondContact O-CB 3.41Å; Y215-F219 PolarHBondContact O-N 2.98Å; Y215-R220 HydrophobicContact CD1-CG 4.38Å; Y215-R220 HydrophobicContact CE1-CG 3.96Å; Y215-R220 PolarHBondContact O-N 3.04Å |
| 216 | R | 86.6 | Confident | 85.3 | Confident | 140 Ų | 140 | 117.7 Ų | 117.7 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.6 | -42.8 | 176.5 | -177.7 | -175.9 | -68.1 | 172.5 | -4.8 | 112.1 | R212 N213 I214 R220 S221 | R212-R216 WeakPolarHBondContact O-CB 3.24Å; R212-R216 PolarHBondContact O-N 3.31Å; N213-R216 PolarHBondContact O-N 3.5Å; I214-R216 VanDerWaalsContact C-N 3.31Å; I214-R216 PolarHBondContact O-N 3.4Å; R216-R220 HydrophobicContact CG-CB 4.43Å; R216-R220 CarbonylContact O-C 3.55Å; R216-R220 VanDerWaalsContact O-C 3.26Å; R216-R220 WeakPolarHBondContact O-CA 3.25Å; R216-R220 WeakPolarHBondContact O-CB 3.42Å; R216-R220 PolarHBondContact O-N 3.1Å; R216-S221 PolarHBondContact O-N 3.2Å |
| 217 | V | 87.3 | Confident | 85.3 | Confident | 102 Ų | 102 | 119.6 Ų | 119.6 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.7 | -43.7 | -178.9 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | N213 I214 Y215 S221 | N213-V217 WeakPolarHBondContact O-CG2 3.38Å; N213-V217 PolarHBondContact O-N 3.04Å; I214-V217 PolarHBondContact O-N 3.31Å; Y215-V217 VanDerWaalsContact C-N 3.32Å; Y215-V217 PolarHBondContact O-N 2.99Å; V217-S221 WeakPolarHBondContact O-CB 3.23Å; V217-S221 PolarHBondContact O-OG 3.24Å |
| 218 | A | 86.2 | Confident | 85.2 | Confident | 62 Ų | 62 | 113.7 Ų | 113.7 | 51% | 0.512 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -76.5 | -37 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I214 Y215 | I214-A218 WeakPolarHBondContact O-CB 3.49Å; I214-A218 PolarHBondContact O-N 3.47Å; Y215-A218 PolarHBondContact O-N 3.41Å |
| 219 | F | 82.4 | Confident | 84.9 | Confident | 150 Ų | 150 | 112.1 Ų | 112.1 | 66% | 0.658 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -27.3 | -170.1 | -59.8 | -79.3 | 0 | 0 | 0 | 113.7 | Y215 | Y215-F219 HydrophobicContact CD2-CB 4.33Å; Y215-F219 AromaticContact CD2-CD2 3.53Å; Y215-F219 HydrophobicContact CD2-CD2 3.53Å; Y215-F219 HydrophobicContact CD2-CE2 4.2Å; Y215-F219 HydrophobicContact CD2-CG 4.19Å; Y215-F219 HydrophobicContact CE2-CB 4.07Å; Y215-F219 AromaticContact CE2-CD2 3.86Å; Y215-F219 HydrophobicContact CE2-CD2 3.86Å; Y215-F219 HydrophobicContact CE2-CG 4.09Å; Y215-F219 HydrophobicContact CG-CD2 4.18Å; Y215-F219 WeakPolarHBondContact O-CB 3.41Å; Y215-F219 PolarHBondContact O-N 2.98Å |
| 220 | R | 74.2 | Confident | 84.9 | Confident | 141 Ų | 141 | 108.9 Ų | 108.9 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -101.9 | -6.1 | 177.6 | -63.3 | -169 | 173.9 | 177 | 5.1 | 114.5 | E201 Y215 R216 G222 | E201-R220 IonicContact OE1-NE 3.83Å; E201-R220 IonicContact OE2-CZ 3.55Å; E201-R220 IonicContact OE2-NE 2.66Å; E201-R220 PolarHBondContact OE2-NE 2.92Å; E201-R220 IonicContact OE2-NH2 3.11Å; E201-R220 PolarHBondContact OE2-NH2 3.33Å; Y215-R220 HydrophobicContact CD1-CG 4.38Å; Y215-R220 HydrophobicContact CE1-CG 3.96Å; Y215-R220 PolarHBondContact O-N 3.04Å; R216-R220 HydrophobicContact CG-CB 4.43Å; R216-R220 CarbonylContact O-C 3.55Å; R216-R220 VanDerWaalsContact O-C 3.26Å; R216-R220 WeakPolarHBondContact O-CA 3.25Å; R216-R220 WeakPolarHBondContact O-CB 3.42Å; R216-R220 PolarHBondContact O-N 3.1Å; R220-G222 PolarHBondContact O-N 3.08Å |
| 221 | S | 73.6 | Confident | 84.6 | Confident | 64 Ų | 64 | 106.2 Ų | 106.2 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -75.5 | 106.7 | 162.6 | 95.5 | 0 | 0 | 0 | 0 | 105.3 | R216 V217 | R216-S221 PolarHBondContact O-N 3.2Å; V217-S221 WeakPolarHBondContact O-CB 3.23Å; V217-S221 PolarHBondContact O-OG 3.24Å |
| 222 | G | 72.7 | Confident | 84.4 | Confident | 57 Ų | 57 | 107.7 Ų | 107.7 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 158.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R220 Q224 | R220-G222 PolarHBondContact O-N 3.08Å; G222-Q224 PolarHBondContact O-N 2.79Å |
| 223 | V | 74 | Confident | 84.2 | Confident | 139 Ų | 139 | 103.9 Ų | 103.9 | 84% | 0.842 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -51 | 117.3 | 172.7 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | E225 | V223-E225 PolarHBondContact O-N 3.46Å; V223-E225 VanDerWaalsContact O-N 3.15Å |
| 224 | Q | 75.8 | Confident | 84.2 | Confident | 157 Ų | 157 | 101.4 Ų | 101.4 | 73% | 0.734 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 122.8 | 178.9 | -69.8 | -176.9 | -30.7 | 0 | 0 | 108.2 | G222 R226 | G222-Q224 PolarHBondContact O-N 2.79Å; Q224-R226 PolarHBondContact O-N 3.45Å |
| 225 | E | 79.9 | Confident | 84.3 | Confident | 196 Ų | 196 | 98.8 Ų | 98.8 | 92% | 0.916 | 51% | 0.506 | S | S | * | . | trans | -59.4 | 113.2 | 172.3 | -69.7 | -176.1 | 174.3 | 0 | 0 | 108.2 | V223 | V223-E225 PolarHBondContact O-N 3.46Å; V223-E225 VanDerWaalsContact O-N 3.15Å | ||
| 226 | R | 85.4 | Confident | 84.5 | Confident | 214 Ų | 214 | 98.9 Ų | 98.9 | 81% | 0.808 | 51% | 0.514 | S | S | * | . | trans | -84.9 | 125.4 | 176.5 | -68.9 | -166.9 | 173.3 | 107 | -0.1 | 108.1 | Q224 E228 | Q224-R226 PolarHBondContact O-N 3.45Å; R226-E228 PolarHBondContact O-N 3.16Å | ||
| 227 | N | 88.7 | Confident | 84.7 | Confident | 86 Ų | 86 | 98.9 Ų | 98.9 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | trans | -67 | 110.6 | 171.5 | -179.6 | -1.1 | 0 | 0 | 0 | 109.2 | L229 F230 | N227-L229 PolarHBondContact O-N 3.46Å; N227-L229 WeakPolarHBondContact OD1-CB 3.26Å; N227-L229 WeakPolarHBondContact OD1-CG 3.26Å; N227-L229 PolarHBondContact OD1-N 3.48Å; N227-F230 HydrophobicContact CB-CD2 3.75Å; N227-F230 HydrophobicContact CB-CE2 3.97Å; N227-F230 VanDerWaalsContact ND2-CE2 3.35Å; N227-F230 WeakPolarHBondContact ND2-CE2 3.49Å; N227-F230 PolarHBondContact O-N 3.24Å | ||
| 228 | E | 87.8 | Confident | 84.9 | Confident | 87 Ų | 87 | 96.5 Ų | 96.5 | 41% | 0.407 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -56.6 | -27.1 | 178.8 | -102.2 | -174.8 | -156.3 | 0 | 0 | 116.1 | R226 F230 L231 R234 K258 | R226-E228 PolarHBondContact O-N 3.16Å; E228-F230 PolarHBondContact O-N 2.83Å; E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 VanDerWaalsContact O-CG 3.26Å; E228-L231 WeakPolarHBondContact O-CG 3.5Å; E228-L231 PolarHBondContact O-N 2.85Å; E228-R234 WeakPolarHBondContact O-CD 3.29Å; E228-R234 PolarHBondContact O-NH1 2.75Å; E228-R234 VanDerWaalsContact O-NH1 3.11Å; E228-R234 IonicContact OE2-CZ 3.58Å; E228-R234 IonicContact OE2-NH1 2.95Å; E228-R234 PolarHBondContact OE2-NH1 2.95Å; E228-R234 IonicContact OE2-NH2 3.24Å; E228-R234 PolarHBondContact OE2-NH2 3.48Å; E228-K258 VanDerWaalsContact OE1-CE 3.28Å; E228-K258 WeakPolarHBondContact OE1-CE 3.34Å; E228-K258 IonicContact OE1-NZ 2.62Å; E228-K258 PolarHBondContact OE1-NZ 2.78Å; E228-K258 WeakPolarHBondContact OE2-CE 3.25Å; E228-K258 IonicContact OE2-NZ 2.9Å; E228-K258 PolarHBondContact OE2-NZ 2.82Å |
| 229 | L | 88.6 | Confident | 85.1 | Confident | 52 Ų | 52 | 98 Ų | 98 | 27% | 0.272 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -65.4 | -24.6 | 177.5 | -65.5 | 175.5 | 0 | 0 | 0 | 112.3 | N227 L231 M235 I255 | N227-L229 PolarHBondContact O-N 3.46Å; N227-L229 WeakPolarHBondContact OD1-CB 3.26Å; N227-L229 WeakPolarHBondContact OD1-CG 3.26Å; N227-L229 PolarHBondContact OD1-N 3.48Å; L229-L231 PolarHBondContact O-N 2.79Å; L229-M235 HydrophobicContact CB-CB 4.37Å; L229-M235 HydrophobicContact CB-SD 4.12Å; L229-M235 HydrophobicContact CD1-SD 4.34Å; L229-M235 WeakPolarHBondContact O-CB 3.46Å; L229-M235 PolarHBondContact O-N 2.9Å; L229-I255 HydrophobicContact CD2-CD1 4.06Å; L229-I255 HydrophobicContact CD2-CG1 4.4Å; L229-I255 HydrophobicContact CD2-CG2 3.88Å |
| 230 | F | 89.4 | Confident | 85.2 | Confident | 149 Ų | 149 | 95.1 Ų | 95.1 | 65% | 0.654 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -86.4 | 10.9 | 176.8 | -59.6 | -65.7 | 0 | 0 | 0 | 113.5 | N227 E228 M235 | N227-F230 HydrophobicContact CB-CD2 3.75Å; N227-F230 HydrophobicContact CB-CE2 3.97Å; N227-F230 VanDerWaalsContact ND2-CE2 3.35Å; N227-F230 WeakPolarHBondContact ND2-CE2 3.49Å; N227-F230 PolarHBondContact O-N 3.24Å; E228-F230 PolarHBondContact O-N 2.83Å; F230-M235 HydrophobicContact CD1-CE 4.01Å; F230-M235 HydrophobicContact CE1-CE 3.59Å; F230-M235 HydrophobicContact CZ-CE 4.29Å |
| 231 | L | 87.6 | Confident | 85.6 | Confident | 63 Ų | 63 | 95.5 Ų | 95.5 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -58.2 | 139.5 | 166.5 | -75.4 | 174.4 | 0 | 0 | 0 | 109.5 | E228 L229 G233 R234 | E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 VanDerWaalsContact O-CG 3.26Å; E228-L231 WeakPolarHBondContact O-CG 3.5Å; E228-L231 PolarHBondContact O-N 2.85Å; L229-L231 PolarHBondContact O-N 2.79Å; L231-G233 PolarHBondContact O-N 3.43Å; L231-G233 VanDerWaalsContact O-N 3.13Å; L231-R234 HydrophobicContact CB-CB 3.94Å; L231-R234 WeakPolarHBondContact O-CB 3.34Å; L231-R234 PolarHBondContact O-N 3.17Å |
| 232 | P | 88 | Confident | 85.9 | Confident | 55 Ų | 55 | 99.9 Ų | 99.9 | 36% | 0.357 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 122.7 | 179.7 | -27.7 | 35.1 | 0 | 0 | 0 | 111.4 | R234 | P232-R234 VanDerWaalsContact C-N 3.3Å; P232-R234 PolarHBondContact O-N 3.47Å |
| 233 | G | 86.6 | Confident | 85.8 | Confident | 47 Ų | 47 | 101.9 Ų | 101.9 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 1.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | L231 R256 | L231-G233 PolarHBondContact O-N 3.43Å; L231-G233 VanDerWaalsContact O-N 3.13Å; G233-R256 VanDerWaalsContact O-CD 3.28Å; G233-R256 WeakPolarHBondContact O-CD 3.33Å |
| 234 | R | 92.1 | Very high | 85.6 | Confident | 32 Ų | 32 | 103.2 Ų | 103.2 | 12% | 0.121 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -54.4 | -179.1 | -165 | 178 | 179.8 | 177.9 | -9.9 | 113.2 | E228 L231 P232 I255 R256 C261 | E228-R234 WeakPolarHBondContact O-CD 3.29Å; E228-R234 PolarHBondContact O-NH1 2.75Å; E228-R234 VanDerWaalsContact O-NH1 3.11Å; E228-R234 IonicContact OE2-CZ 3.58Å; E228-R234 IonicContact OE2-NH1 2.95Å; E228-R234 PolarHBondContact OE2-NH1 2.95Å; E228-R234 IonicContact OE2-NH2 3.24Å; E228-R234 PolarHBondContact OE2-NH2 3.48Å; L231-R234 HydrophobicContact CB-CB 3.94Å; L231-R234 WeakPolarHBondContact O-CB 3.34Å; L231-R234 PolarHBondContact O-N 3.17Å; P232-R234 VanDerWaalsContact C-N 3.3Å; P232-R234 PolarHBondContact O-N 3.47Å; R234-I255 HydrophobicContact CG-CG2 4.5Å; R234-I255 CarbonylContact O-C 3.51Å; R234-I255 WeakPolarHBondContact O-CA 3.36Å; R234-R256 WeakPolarHBondContact CG-O 3.43Å; R234-R256 PolarHBondContact O-N 2.91Å; R234-C261 WeakPolarHBondContact CA-SG 3.1Å; R234-C261 VanDerWaalsContact CB-SG 3.52Å |
| 235 | M | 93.8 | Very high | 85 | Confident | 45 Ų | 45 | 104.9 Ų | 104.9 | 22% | 0.222 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.5 | 176.9 | -171.5 | 170.9 | 67.7 | 0 | 0 | 109.9 | L229 F230 T253 L254 | L229-M235 HydrophobicContact CB-CB 4.37Å; L229-M235 HydrophobicContact CB-SD 4.12Å; L229-M235 HydrophobicContact CD1-SD 4.34Å; L229-M235 WeakPolarHBondContact O-CB 3.46Å; L229-M235 PolarHBondContact O-N 2.9Å; F230-M235 HydrophobicContact CD1-CE 4.01Å; F230-M235 HydrophobicContact CE1-CE 3.59Å; F230-M235 HydrophobicContact CZ-CE 4.29Å; M235-T253 HydrophobicContact CG-CG2 3.73Å; M235-T253 HydrophobicContact SD-CG2 4.08Å; M235-L254 CarbonylContact C-O 3.56Å; M235-L254 WeakPolarHBondContact CA-O 3.22Å |
| 236 | A | 92.9 | Very high | 84.3 | Confident | 38 Ų | 38 | 98.4 Ų | 98.4 | 31% | 0.314 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | T253 L254 | A236-T253 CarbonylContact O-C 3.26Å; A236-L254 HydrophobicContact CB-CB 4.47Å; A236-L254 PolarHBondContact N-O 3.31Å; A236-L254 PolarHBondContact O-N 3.35Å |
| 237 | Y | 92.7 | Very high | 83.4 | Confident | 140 Ų | 140 | 95.5 Ų | 95.5 | 55% | 0.549 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.2 | 176 | -65.1 | -73.2 | 0 | 0 | 0 | 108.6 | P251 T252 T253 | Y237-P251 HydrophobicContact CD1-CB 4.26Å; Y237-P251 HydrophobicContact CD1-CG 3.98Å; Y237-P251 HydrophobicContact CG-CG 4.39Å; Y237-T252 WeakPolarHBondContact CA-O 3.19Å; Y237-T253 HydrophobicContact CD1-CG2 4.4Å; Y237-T253 HydrophobicContact CE1-CG2 4Å; Y237-T253 VanDerWaalsContact CE1-OG1 3.27Å; Y237-T253 WeakPolarHBondContact CE1-OG1 3.21Å |
| 238 | V | 90.8 | Very high | 82.4 | Confident | 52 Ų | 52 | 95.9 Ų | 95.9 | 32% | 0.315 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.7 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | T252 L254 | V238-T252 PolarHBondContact N-O 3.31Å; V238-T252 PolarHBondContact O-N 3.08Å; V238-L254 HydrophobicContact CB-CD1 4.47Å; V238-L254 HydrophobicContact CG2-CD1 3.28Å; V238-L254 HydrophobicContact CG2-CG 3.68Å |
| 239 | V | 89.5 | Confident | 81.9 | Confident | 94 Ų | 94 | 99.5 Ų | 99.5 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | trans | -106.9 | 112.6 | 175.8 | -176.7 | 0 | 0 | 0 | 0 | 105.8 | L241 P251 | V239-L241 HydrophobicContact CG1-CD2 3.72Å; V239-L241 HydrophobicContact CG1-CG 4.46Å; V239-P251 HydrophobicContact CG2-CB 3.93Å | ||
| 240 | D | 85.3 | Confident | 81.7 | Confident | 89 Ų | 89 | 103.3 Ų | 103.3 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | trans | -81.9 | 116.3 | 174 | -62.7 | -40.2 | 0 | 0 | 0 | 107.7 | ||||
| 241 | L | 83.1 | Confident | 81.7 | Confident | 149 Ų | 149 | 98.6 Ų | 98.6 | 78% | 0.78 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -94.8 | -11.6 | -176.5 | -61 | 176.2 | 0 | 0 | 0 | 112.7 | V239 | V239-L241 HydrophobicContact CG1-CD2 3.72Å; V239-L241 HydrophobicContact CG1-CG 4.46Å |
| 242 | D | 78.7 | Confident | 81.8 | Confident | 157 Ų | 157 | 99.2 Ų | 99.2 | 84% | 0.84 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -100 | -16.6 | -171.3 | -62.6 | -41.8 | 0 | 0 | 0 | 113.2 | E244 | D242-E244 PolarHBondContact O-N 2.92Å; D242-E244 VanDerWaalsContact O-N 3.1Å |
| 243 | D | 72.1 | Confident | 82 | Confident | 98 Ų | 98 | 99.8 Ų | 99.8 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | trans | -80.7 | 92.9 | 178.3 | -93.1 | -10.1 | 0 | 0 | 0 | 110.1 | F245 T246 | D243-F245 PolarHBondContact O-N 3.26Å; D243-T246 HydrophobicContact CB-CG2 3.74Å; D243-T246 VanDerWaalsContact CB-OG1 3.23Å; D243-T246 WeakPolarHBondContact CB-OG1 3.2Å; D243-T246 PolarHBondContact O-N 3.39Å; D243-T246 VanDerWaalsContact O-N 3.07Å; D243-T246 PolarHBondContact O-OG1 2.99Å; D243-T246 VanDerWaalsContact O-OG1 3.09Å | ||
| 244 | E | 68.8 | Low | 82.3 | Confident | 168 Ų | 168 | 101.2 Ų | 101.2 | 79% | 0.785 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -3.1 | 171.1 | -163.5 | 171.2 | -164.3 | 0 | 0 | 113.1 | D242 | D242-E244 PolarHBondContact O-N 2.92Å; D242-E244 VanDerWaalsContact O-N 3.1Å |
| 245 | F | 63.5 | Low | 82.3 | Confident | 191 Ų | 191 | 104.6 Ų | 104.6 | 84% | 0.838 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -0.8 | 177.9 | -71.4 | -84.9 | 0 | 0 | 0 | 114.2 | D243 D247 | D243-F245 PolarHBondContact O-N 3.26Å; F245-D247 PolarHBondContact O-N 2.85Å |
| 246 | T | 65.3 | Low | 82.2 | Confident | 60 Ų | 60 | 109.4 Ų | 109.4 | 37% | 0.368 | 57% | 0.571 | S | S | . | * | trans | -98.4 | 67 | 170.2 | 57 | 0 | 0 | 0 | 0 | 109.8 | D243 T248 | D243-T246 HydrophobicContact CB-CG2 3.74Å; D243-T246 VanDerWaalsContact CB-OG1 3.23Å; D243-T246 WeakPolarHBondContact CB-OG1 3.2Å; D243-T246 PolarHBondContact O-N 3.39Å; D243-T246 VanDerWaalsContact O-N 3.07Å; D243-T246 PolarHBondContact O-OG1 2.99Å; D243-T246 VanDerWaalsContact O-OG1 3.09Å; T246-T248 PolarHBondContact O-N 3.25Å | ||
| 247 | D | 65.2 | Low | 82.1 | Confident | 154 Ų | 154 | 110.8 Ų | 110.8 | 82% | 0.824 | 58% | 0.578 | S | S | * | * | trans | -64.1 | 3.5 | 175.2 | -65.5 | -31.5 | 0 | 0 | 0 | 113.7 | F245 | F245-D247 PolarHBondContact O-N 2.85Š| ||
| 248 | T | 69.5 | Low | 81.8 | Confident | 94 Ų | 94 | 109.1 Ų | 109.1 | 58% | 0.577 | 57% | 0.574 | S | S | * | * | trans | -86.1 | 112.1 | 172.2 | 44 | 0 | 0 | 0 | 0 | 109.9 | T246 I250 | T246-T248 PolarHBondContact O-N 3.25Å; T248-I250 PolarHBondContact O-N 2.85Å | ||
| 249 | D | 76.8 | Confident | 81.4 | Confident | 162 Ų | 162 | 110.9 Ų | 110.9 | 87% | 0.866 | 59% | 0.594 | S | S | * | * | trans | -62.6 | 28.1 | 168.6 | -172 | 29.7 | 0 | 0 | 0 | 113.4 | ||||
| 250 | I | 83.8 | Confident | 81.1 | Confident | 132 Ų | 132 | 112.2 Ų | 112.2 | 68% | 0.677 | 60% | 0.598 | S | S | * | * | trans | -108.5 | 108.7 | -175.3 | -57.5 | 177.5 | 0 | 0 | 0 | 107.2 | T248 | T248-I250 PolarHBondContact O-N 2.85Š| ||
| 251 | P | 88.8 | Confident | 80.9 | Confident | 51 Ų | 51 | 108.7 Ų | 108.7 | 33% | 0.331 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 144.9 | 177.1 | 26 | -33.3 | 0 | 0 | 0 | 111.7 | Y237 V239 T253 | Y237-P251 HydrophobicContact CD1-CB 4.26Å; Y237-P251 HydrophobicContact CD1-CG 3.98Å; Y237-P251 HydrophobicContact CG-CG 4.39Å; V239-P251 HydrophobicContact CG2-CB 3.93Å; P251-T253 PolarHBondContact O-N 2.97Å |
| 252 | T | 89.8 | Confident | 80.7 | Confident | 76 Ų | 76 | 105 Ų | 105 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71 | 126.8 | 171.3 | -63.5 | 0 | 0 | 0 | 0 | 109.6 | Y237 V238 | Y237-T252 WeakPolarHBondContact CA-O 3.19Å; V238-T252 PolarHBondContact N-O 3.31Å; V238-T252 PolarHBondContact O-N 3.08Å |
| 253 | T | 93.1 | Very high | 80.4 | Confident | 66 Ų | 66 | 100.5 Ų | 100.5 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 118.9 | 177.3 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | M235 A236 Y237 P251 I255 | M235-T253 HydrophobicContact CG-CG2 3.73Å; M235-T253 HydrophobicContact SD-CG2 4.08Å; A236-T253 CarbonylContact O-C 3.26Å; Y237-T253 HydrophobicContact CD1-CG2 4.4Å; Y237-T253 HydrophobicContact CE1-CG2 4Å; Y237-T253 VanDerWaalsContact CE1-OG1 3.27Å; Y237-T253 WeakPolarHBondContact CE1-OG1 3.21Å; P251-T253 PolarHBondContact O-N 2.97Å; T253-I255 HydrophobicContact CG2-CG1 4.21Å |
| 254 | L | 91.8 | Very high | 80.1 | Confident | 78 Ų | 78 | 102.5 Ų | 102.5 | 41% | 0.408 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.2 | 171.8 | -65.6 | -171.8 | 0 | 0 | 0 | 110.7 | M235 A236 V238 | M235-L254 CarbonylContact C-O 3.56Å; M235-L254 WeakPolarHBondContact CA-O 3.22Å; A236-L254 HydrophobicContact CB-CB 4.47Å; A236-L254 PolarHBondContact N-O 3.31Å; A236-L254 PolarHBondContact O-N 3.35Å; V238-L254 HydrophobicContact CB-CD1 4.47Å; V238-L254 HydrophobicContact CG2-CD1 3.28Å; V238-L254 HydrophobicContact CG2-CG 3.68Å |
| 255 | I | 93.2 | Very high | 79.9 | Confident | 103 Ų | 103 | 101.9 Ų | 101.9 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.6 | 116.6 | 177.3 | -57.2 | 173.6 | 0 | 0 | 0 | 108.9 | L229 R234 T253 | L229-I255 HydrophobicContact CD2-CD1 4.06Å; L229-I255 HydrophobicContact CD2-CG1 4.4Å; L229-I255 HydrophobicContact CD2-CG2 3.88Å; R234-I255 HydrophobicContact CG-CG2 4.5Å; R234-I255 CarbonylContact O-C 3.51Å; R234-I255 WeakPolarHBondContact O-CA 3.36Å; T253-I255 HydrophobicContact CG2-CG1 4.21Å |
| 256 | R | 91.4 | Very high | 79.8 | Confident | 146 Ų | 146 | 94.7 Ų | 94.7 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | trans | -84.4 | 158.7 | 174.5 | -58.8 | -171.7 | -172.7 | -93 | -4 | 111.4 | G233 R234 | G233-R256 VanDerWaalsContact O-CD 3.28Å; G233-R256 WeakPolarHBondContact O-CD 3.33Å; R234-R256 WeakPolarHBondContact CG-O 3.43Å; R234-R256 PolarHBondContact O-N 2.91Å | ||
| 257 | S | 90.3 | Very high | 79.6 | Confident | 67 Ų | 67 | 97.1 Ų | 97.1 | 47% | 0.469 | 53% | 0.534 | S | S | . | . | trans | -63.1 | 149 | 169.6 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | A259 D260 C261 | S257-A259 PolarHBondContact O-N 2.8Å; S257-A259 PolarHBondContact OG-N 3.08Å; S257-D260 WeakPolarHBondContact CB-OD2 3.17Å; S257-D260 PolarHBondContact O-N 2.94Å; S257-C261 PolarHBondContact O-SG 2.74Å | ||
| 258 | K | 86.2 | Confident | 79.4 | Confident | 105 Ų | 105 | 94 Ų | 94 | 46% | 0.457 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -54.7 | -39.2 | 172.5 | -76.1 | -177.4 | 177.6 | 177.1 | 0 | 113 | E228 D260 C261 | E228-K258 VanDerWaalsContact OE1-CE 3.28Å; E228-K258 WeakPolarHBondContact OE1-CE 3.34Å; E228-K258 IonicContact OE1-NZ 2.62Å; E228-K258 PolarHBondContact OE1-NZ 2.78Å; E228-K258 WeakPolarHBondContact OE2-CE 3.25Å; E228-K258 IonicContact OE2-NZ 2.9Å; E228-K258 PolarHBondContact OE2-NZ 2.82Å; K258-D260 PolarHBondContact O-N 2.84Å; K258-C261 PolarHBondContact O-N 3.31Å |
| 259 | A | 83.5 | Confident | 78.9 | Confident | 89 Ų | 89 | 93 Ų | 93 | 74% | 0.736 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -67.9 | -25.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S257 | S257-A259 PolarHBondContact O-N 2.8Å; S257-A259 PolarHBondContact OG-N 3.08Å |
| 260 | D | 82.8 | Confident | 78.1 | Confident | 122 Ų | 122 | 90.3 Ų | 90.3 | 65% | 0.652 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -92.3 | -3.4 | -177.2 | -55.3 | -33.1 | 0 | 0 | 0 | 112.4 | S257 K258 | S257-D260 WeakPolarHBondContact CB-OD2 3.17Å; S257-D260 PolarHBondContact O-N 2.94Å; K258-D260 PolarHBondContact O-N 2.84Å |
| 261 | C | 80.8 | Confident | 77.3 | Confident | 15 Ų | 15 | 88.1 Ų | 88.1 | 10% | 0.101 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -91.9 | 138.9 | 179 | -61.7 | 0 | 0 | 0 | 0 | 110.2 | R234 S257 K258 S263 | R234-C261 WeakPolarHBondContact CA-SG 3.1Å; R234-C261 VanDerWaalsContact CB-SG 3.52Å; S257-C261 PolarHBondContact O-SG 2.74Å; K258-C261 PolarHBondContact O-N 3.31Å; C261-S263 PolarHBondContact O-N 3.15Å; C261-S263 VanDerWaalsContact O-N 3.14Å |
| 262 | P | 79.5 | Confident | 76.4 | Confident | 72 Ų | 72 | 89.5 Ų | 89.5 | 47% | 0.468 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 121.6 | 173.7 | -21.6 | 31.1 | 0 | 0 | 0 | 110.5 | ||
| 263 | S | 73.1 | Confident | 75.9 | Confident | 62 Ų | 62 | 89.9 Ų | 89.9 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 144.8 | 174.3 | 78 | 0 | 0 | 0 | 0 | 109.6 | C261 E265 A266 Q267 | C261-S263 PolarHBondContact O-N 3.15Å; C261-S263 VanDerWaalsContact O-N 3.14Å; S263-E265 PolarHBondContact O-N 3.48Å; S263-E265 VanDerWaalsContact O-N 3.16Å; S263-A266 PolarHBondContact O-N 3.42Å; S263-A266 WeakPolarHBondContact OG-CB 3.24Å; S263-A266 PolarHBondContact OG-N 2.86Å; S263-A266 VanDerWaalsContact OG-N 3.09Å; S263-Q267 PolarHBondContact O-N 3Å |
| 264 | M | 64.8 | Low | 75.4 | Confident | 140 Ų | 140 | 91 Ų | 91 | 69% | 0.69 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.9 | -28.9 | 174.4 | -80.9 | 176.7 | 60.8 | 0 | 0 | 112.1 | ||
| 265 | E | 65.1 | Low | 75.1 | Confident | 155 Ų | 155 | 92.6 Ų | 92.6 | 72% | 0.724 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.8 | -30.5 | 177.5 | -63 | 177.6 | 176.2 | 0 | 0 | 113 | S263 Q267 T268 T269 | S263-E265 PolarHBondContact O-N 3.48Å; S263-E265 VanDerWaalsContact O-N 3.16Å; E265-Q267 VanDerWaalsContact C-N 3.33Å; E265-T268 PolarHBondContact O-OG1 3.15Å; E265-T268 VanDerWaalsContact O-OG1 3.07Å; E265-T269 WeakPolarHBondContact O-CG2 3.48Å; E265-T269 PolarHBondContact O-N 3.49Å; E265-T269 PolarHBondContact O-OG1 2.94Å; E265-T269 VanDerWaalsContact O-OG1 3.09Å |
| 266 | A | 61.5 | Low | 75 | Confident | 40 Ų | 40 | 91.4 Ų | 91.4 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.5 | -30.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S263 T269 L270 | S263-A266 PolarHBondContact O-N 3.42Å; S263-A266 WeakPolarHBondContact OG-CB 3.24Å; S263-A266 PolarHBondContact OG-N 2.86Å; S263-A266 VanDerWaalsContact OG-N 3.09Å; A266-T269 PolarHBondContact O-OG1 3.47Å; A266-T269 VanDerWaalsContact O-OG1 3.1Å; A266-L270 PolarHBondContact O-N 3.01Å |
| 267 | Q | 60.7 | Low | 74.8 | Confident | 111 Ų | 111 | 88.9 Ų | 88.9 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.6 | -38.8 | 178.4 | -71.5 | -170.6 | -3.3 | 0 | 0 | 112.7 | S263 E265 L270 T271 | S263-Q267 PolarHBondContact O-N 3Å; E265-Q267 VanDerWaalsContact C-N 3.33Å; Q267-L270 PolarHBondContact O-N 3.49Å; Q267-T271 WeakPolarHBondContact O-CG2 3.38Å; Q267-T271 PolarHBondContact O-N 2.85Å |
| 268 | T | 61 | Low | 74.7 | Confident | 88 Ų | 88 | 89 Ų | 89 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -37.3 | 179.9 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | E265 T271 T272 | E265-T268 PolarHBondContact O-OG1 3.15Å; E265-T268 VanDerWaalsContact O-OG1 3.07Å; T268-T271 PolarHBondContact O-OG1 3.29Å; T268-T272 PolarHBondContact O-OG1 3.26Å |
| 269 | T | 58.9 | Low | 74.9 | Confident | 72 Ų | 72 | 89.8 Ų | 89.8 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.9 | -32.7 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | E265 A266 T272 N273 | E265-T269 WeakPolarHBondContact O-CG2 3.48Å; E265-T269 PolarHBondContact O-N 3.49Å; E265-T269 PolarHBondContact O-OG1 2.94Å; E265-T269 VanDerWaalsContact O-OG1 3.09Å; A266-T269 PolarHBondContact O-OG1 3.47Å; A266-T269 VanDerWaalsContact O-OG1 3.1Å; T269-T272 PolarHBondContact O-OG1 3.21Å; T269-N273 VanDerWaalsContact O-CB 3.26Å; T269-N273 WeakPolarHBondContact O-CB 3.3Å; T269-N273 PolarHBondContact O-N 2.96Å; T269-N273 PolarHBondContact O-ND2 2.94Å |
| 270 | L | 61 | Low | 75.3 | Confident | 106 Ų | 106 | 89.9 Ų | 89.9 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.3 | -47.2 | 175.1 | -120.6 | 105.7 | 0 | 0 | 0 | 112.1 | A266 Q267 T272 N273 D274 | A266-L270 PolarHBondContact O-N 3.01Å; Q267-L270 PolarHBondContact O-N 3.49Å; L270-T272 VanDerWaalsContact C-N 3.32Å; L270-T272 PolarHBondContact O-N 3.43Å; L270-N273 PolarHBondContact O-N 3.49Å; L270-D274 VanDerWaalsContact O-CG 3.23Å; L270-D274 PolarHBondContact O-N 3.43Å |
| 271 | T | 67.1 | Low | 75.6 | Confident | 86 Ų | 86 | 87.9 Ų | 87.9 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -32 | -173.2 | 63 | 0 | 0 | 0 | 0 | 114.5 | Q267 T268 I275 | Q267-T271 WeakPolarHBondContact O-CG2 3.38Å; Q267-T271 PolarHBondContact O-N 2.85Å; T268-T271 PolarHBondContact O-OG1 3.29Å; T271-I275 WeakPolarHBondContact O-CD1 3.21Å; T271-I275 WeakPolarHBondContact O-CG1 3.28Å |
| 272 | T | 69.9 | Low | 75.9 | Confident | 80 Ų | 80 | 91.3 Ų | 91.3 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -84.7 | -39.2 | 179.2 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | T268 T269 L270 D274 I275 V276 | T268-T272 PolarHBondContact O-OG1 3.26Å; T269-T272 PolarHBondContact O-OG1 3.21Å; L270-T272 VanDerWaalsContact C-N 3.32Å; L270-T272 PolarHBondContact O-N 3.43Å; T272-D274 VanDerWaalsContact C-N 3.32Å; T272-D274 PolarHBondContact O-N 3.03Å; T272-I275 PolarHBondContact O-N 3.26Å; T272-V276 WeakPolarHBondContact O-CG2 3.3Å; T272-V276 PolarHBondContact O-N 3.08Å |
| 273 | N | 78.6 | Confident | 76.5 | Confident | 85 Ų | 85 | 92.7 Ų | 92.7 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 175.5 | -72 | -27.7 | 0 | 0 | 0 | 111.2 | T269 L270 I275 V276 I277 | T269-N273 VanDerWaalsContact O-CB 3.26Å; T269-N273 WeakPolarHBondContact O-CB 3.3Å; T269-N273 PolarHBondContact O-N 2.96Å; T269-N273 PolarHBondContact O-ND2 2.94Å; L270-N273 PolarHBondContact O-N 3.49Å; N273-I275 PolarHBondContact O-N 3.4Å; N273-V276 PolarHBondContact O-N 2.96Å; N273-I277 HydrophobicContact CB-CD1 4.32Å; N273-I277 VanDerWaalsContact O-CB 3.25Å; N273-I277 WeakPolarHBondContact O-CB 3.42Å; N273-I277 WeakPolarHBondContact O-CD1 3.28Å; N273-I277 WeakPolarHBondContact O-CG1 3.47Å; N273-I277 PolarHBondContact O-N 3.16Å |
| 274 | D | 82.1 | Confident | 77.2 | Confident | 89 Ų | 89 | 94 Ų | 94 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 179.9 | -69.6 | -25.1 | 0 | 0 | 0 | 113.1 | L270 T272 S278 | L270-D274 VanDerWaalsContact O-CG 3.23Å; L270-D274 PolarHBondContact O-N 3.43Å; T272-D274 VanDerWaalsContact C-N 3.32Å; T272-D274 PolarHBondContact O-N 3.03Å; D274-S278 WeakPolarHBondContact O-CB 3.4Å; D274-S278 PolarHBondContact O-N 3.27Å |
| 275 | I | 85.9 | Confident | 77.9 | Confident | 111 Ų | 111 | 89.5 Ų | 89.5 | 57% | 0.569 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.6 | -44.7 | 175.5 | -63.5 | 168.9 | 0 | 0 | 0 | 110.1 | T271 T272 N273 S278 K279 | T271-I275 WeakPolarHBondContact O-CD1 3.21Å; T271-I275 WeakPolarHBondContact O-CG1 3.28Å; T272-I275 PolarHBondContact O-N 3.26Å; N273-I275 PolarHBondContact O-N 3.4Å; I275-S278 PolarHBondContact O-N 3Å; I275-K279 WeakPolarHBondContact O-CB 3.39Å; I275-K279 VanDerWaalsContact O-CG 3.27Å; I275-K279 WeakPolarHBondContact O-CG 3.35Å; I275-K279 PolarHBondContact O-N 3.49Å |
| 276 | V | 90.6 | Very high | 78.8 | Confident | 78 Ų | 78 | 89.5 Ų | 89.5 | 47% | 0.473 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 178.6 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | T272 N273 K279 L280 | T272-V276 WeakPolarHBondContact O-CG2 3.3Å; T272-V276 PolarHBondContact O-N 3.08Å; N273-V276 PolarHBondContact O-N 2.96Å; V276-K279 PolarHBondContact O-N 3.22Å; V276-L280 HydrophobicContact CG1-CD1 3.76Å; V276-L280 HydrophobicContact CG1-CG 4.19Å; V276-L280 WeakPolarHBondContact O-CB 3.43Å; V276-L280 VanDerWaalsContact O-CG 3.29Å; V276-L280 WeakPolarHBondContact O-CG 3.45Å; V276-L280 PolarHBondContact O-N 3.49Å |
| 277 | I | 87.5 | Confident | 79.9 | Confident | 93 Ų | 93 | 93.9 Ų | 93.9 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.4 | -69.3 | 163.4 | 0 | 0 | 0 | 110.3 | N273 K279 L280 T281 | N273-I277 HydrophobicContact CB-CD1 4.32Å; N273-I277 VanDerWaalsContact O-CB 3.25Å; N273-I277 WeakPolarHBondContact O-CB 3.42Å; N273-I277 WeakPolarHBondContact O-CD1 3.28Å; N273-I277 WeakPolarHBondContact O-CG1 3.47Å; N273-I277 PolarHBondContact O-N 3.16Å; I277-K279 PolarHBondContact O-N 2.95Å; I277-L280 PolarHBondContact O-N 3.22Å; I277-T281 HydrophobicContact CG2-CG2 4.29Å; I277-T281 WeakPolarHBondContact O-CB 3.34Å; I277-T281 VanDerWaalsContact O-CG2 3.25Å; I277-T281 WeakPolarHBondContact O-CG2 3.11Å; I277-T281 PolarHBondContact O-N 2.83Å; I277-T281 PolarHBondContact O-OG1 2.84Å |
| 278 | S | 89.1 | Confident | 80.7 | Confident | 70 Ų | 70 | 99.2 Ų | 99.2 | 49% | 0.49 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | D274 I275 T281 Q282 | D274-S278 WeakPolarHBondContact O-CB 3.4Å; D274-S278 PolarHBondContact O-N 3.27Å; I275-S278 PolarHBondContact O-N 3Å; S278-T281 VanDerWaalsContact CA-OG1 3.32Å; S278-T281 WeakPolarHBondContact CA-OG1 3.32Å; S278-T281 PolarHBondContact O-OG1 2.86Å; S278-Q282 WeakPolarHBondContact O-CB 3.29Å; S278-Q282 PolarHBondContact O-N 3.3Å |
| 279 | K | 90.3 | Very high | 81.2 | Confident | 121 Ų | 121 | 101.3 Ų | 101.3 | 53% | 0.526 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.3 | -42.1 | 176.4 | -69.6 | -69.6 | -180 | -175.3 | 0 | 112.7 | I275 V276 I277 Q282 I283 | I275-K279 WeakPolarHBondContact O-CB 3.39Å; I275-K279 VanDerWaalsContact O-CG 3.27Å; I275-K279 WeakPolarHBondContact O-CG 3.35Å; I275-K279 PolarHBondContact O-N 3.49Å; V276-K279 PolarHBondContact O-N 3.22Å; I277-K279 PolarHBondContact O-N 2.95Å; K279-Q282 PolarHBondContact O-N 3.38Å; K279-I283 VanDerWaalsContact O-CG1 3.28Å; K279-I283 WeakPolarHBondContact O-CG1 3.34Å; K279-I283 PolarHBondContact O-N 3.29Å |
| 280 | L | 91.3 | Very high | 81 | Confident | 92 Ų | 92 | 99.3 Ų | 99.3 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 176.8 | -73.4 | 174.8 | 0 | 0 | 0 | 111.5 | V276 I277 Q282 I283 L284 | V276-L280 HydrophobicContact CG1-CD1 3.76Å; V276-L280 HydrophobicContact CG1-CG 4.19Å; V276-L280 WeakPolarHBondContact O-CB 3.43Å; V276-L280 VanDerWaalsContact O-CG 3.29Å; V276-L280 WeakPolarHBondContact O-CG 3.45Å; V276-L280 PolarHBondContact O-N 3.49Å; I277-L280 PolarHBondContact O-N 3.22Å; L280-Q282 VanDerWaalsContact C-N 3.32Å; L280-Q282 PolarHBondContact O-N 3.2Å; L280-I283 PolarHBondContact O-N 3.36Å; L280-L284 VanDerWaalsContact O-CB 3.25Å; L280-L284 WeakPolarHBondContact O-CB 3.47Å; L280-L284 WeakPolarHBondContact O-CG 3.43Å; L280-L284 PolarHBondContact O-N 3.05Å |
| 281 | T | 88.8 | Confident | 81 | Confident | 80 Ų | 80 | 101.1 Ų | 101.1 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 174.1 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | I277 S278 S285 | I277-T281 HydrophobicContact CG2-CG2 4.29Å; I277-T281 WeakPolarHBondContact O-CB 3.34Å; I277-T281 VanDerWaalsContact O-CG2 3.25Å; I277-T281 WeakPolarHBondContact O-CG2 3.11Å; I277-T281 PolarHBondContact O-N 2.83Å; I277-T281 PolarHBondContact O-OG1 2.84Å; S278-T281 VanDerWaalsContact CA-OG1 3.32Å; S278-T281 WeakPolarHBondContact CA-OG1 3.32Å; S278-T281 PolarHBondContact O-OG1 2.86Å; T281-S285 WeakPolarHBondContact O-CB 3.32Å; T281-S285 PolarHBondContact O-N 3.42Å |
| 282 | Q | 88.4 | Confident | 80.5 | Confident | 87 Ų | 87 | 107 Ų | 107 | 41% | 0.407 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 173 | -173.6 | 176 | 24.5 | 0 | 0 | 112.2 | S278 K279 L280 S285 Y286 | S278-Q282 WeakPolarHBondContact O-CB 3.29Å; S278-Q282 PolarHBondContact O-N 3.3Å; K279-Q282 PolarHBondContact O-N 3.38Å; L280-Q282 VanDerWaalsContact C-N 3.32Å; L280-Q282 PolarHBondContact O-N 3.2Å; Q282-S285 WeakPolarHBondContact O-CB 3.4Å; Q282-S285 PolarHBondContact O-N 3.37Å; Q282-Y286 HydrophobicContact CG-CD2 3.88Å; Q282-Y286 HydrophobicContact CG-CE2 3.65Å; Q282-Y286 WeakPolarHBondContact O-CD2 3.4Å; Q282-Y286 PolarHBondContact O-N 2.92Å |
| 283 | I | 91.5 | Very high | 79.9 | Confident | 100 Ų | 100 | 111.9 Ų | 111.9 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -47.8 | 177.7 | -68.7 | 164.6 | 0 | 0 | 0 | 110.4 | K279 L280 S285 Y286 L287 | K279-I283 VanDerWaalsContact O-CG1 3.28Å; K279-I283 WeakPolarHBondContact O-CG1 3.34Å; K279-I283 PolarHBondContact O-N 3.29Å; L280-I283 PolarHBondContact O-N 3.36Å; I283-S285 VanDerWaalsContact C-N 3.29Å; I283-S285 PolarHBondContact O-N 3.19Å; I283-Y286 PolarHBondContact O-N 2.9Å; I283-L287 WeakPolarHBondContact O-CB 3.33Å; I283-L287 PolarHBondContact O-N 3.48Å |
| 284 | L | 87 | Confident | 78.7 | Confident | 91 Ų | 91 | 115.9 Ų | 115.9 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.5 | -32.8 | 178 | -69.7 | 171 | 0 | 0 | 0 | 111.9 | L280 L287 R288 | L280-L284 VanDerWaalsContact O-CB 3.25Å; L280-L284 WeakPolarHBondContact O-CB 3.47Å; L280-L284 WeakPolarHBondContact O-CG 3.43Å; L280-L284 PolarHBondContact O-N 3.05Å; L284-L287 PolarHBondContact O-N 2.77Å; L284-R288 WeakPolarHBondContact O-CB 3.45Å; L284-R288 PolarHBondContact O-N 3.09Å |
| 285 | S | 80.9 | Confident | 77.7 | Confident | 45 Ų | 45 | 121.5 Ų | 121.5 | 32% | 0.315 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.6 | -50.8 | 170.3 | 160.2 | 0 | 0 | 0 | 0 | 110.8 | T281 Q282 I283 L287 R288 Q289 | T281-S285 WeakPolarHBondContact O-CB 3.32Å; T281-S285 PolarHBondContact O-N 3.42Å; Q282-S285 WeakPolarHBondContact O-CB 3.4Å; Q282-S285 PolarHBondContact O-N 3.37Å; I283-S285 VanDerWaalsContact C-N 3.29Å; I283-S285 PolarHBondContact O-N 3.19Å; S285-L287 VanDerWaalsContact C-N 3.32Å; S285-L287 PolarHBondContact O-N 3.19Å; S285-R288 PolarHBondContact O-N 3.08Å; S285-Q289 VanDerWaalsContact O-CB 3.22Å; S285-Q289 WeakPolarHBondContact O-CB 3.4Å; S285-Q289 WeakPolarHBondContact O-CG 3.3Å; S285-Q289 PolarHBondContact O-N 3.28Å; S285-Q289 PolarHBondContact OG-NE2 2.95Å |
| 286 | Y | 82.2 | Confident | 75.9 | Confident | 154 Ų | 154 | 124.7 Ų | 124.7 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.5 | -38.6 | 176.7 | -80.7 | -66.1 | 0 | 0 | 0 | 112.7 | Q282 I283 Q289 G290 | Q282-Y286 HydrophobicContact CG-CD2 3.88Å; Q282-Y286 HydrophobicContact CG-CE2 3.65Å; Q282-Y286 WeakPolarHBondContact O-CD2 3.4Å; Q282-Y286 PolarHBondContact O-N 2.92Å; I283-Y286 PolarHBondContact O-N 2.9Å; Y286-Q289 CarbonylContact O-C 3.6Å; Y286-G290 WeakPolarHBondContact O-CA 3.32Å; Y286-G290 PolarHBondContact O-N 3.41Å; Y286-G290 VanDerWaalsContact O-N 3.09Å |
| 287 | L | 84.9 | Confident | 73.7 | Confident | 133 Ų | 133 | 130.5 Ų | 130.5 | 70% | 0.696 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.8 | -41.7 | 177.7 | -141.8 | 78.7 | 0 | 0 | 0 | 111.5 | I283 L284 S285 G290 | I283-L287 WeakPolarHBondContact O-CB 3.33Å; I283-L287 PolarHBondContact O-N 3.48Å; L284-L287 PolarHBondContact O-N 2.77Å; S285-L287 VanDerWaalsContact C-N 3.32Å; S285-L287 PolarHBondContact O-N 3.19Å; L287-G290 WeakPolarHBondContact O-CA 3.48Å; L287-G290 PolarHBondContact O-N 3.4Å; L287-G290 VanDerWaalsContact O-N 3.09Å |
| 288 | R | 78 | Confident | 72.4 | Confident | 222 Ų | 222 | 136.1 Ų | 136.1 | 84% | 0.838 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.8 | -30.7 | 177.1 | -166.7 | -173.6 | -63.6 | -104.3 | 5.4 | 111.9 | L284 S285 | L284-R288 WeakPolarHBondContact O-CB 3.45Å; L284-R288 PolarHBondContact O-N 3.09Å; S285-R288 PolarHBondContact O-N 3.08Å |
| 289 | Q | 71.1 | Confident | 70.3 | Confident | 133 Ų | 133 | 141.8 Ų | 141.8 | 62% | 0.621 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 1.4 | 170.3 | -68.5 | 175 | 27.8 | 0 | 0 | 113 | S285 Y286 T291 | S285-Q289 VanDerWaalsContact O-CB 3.22Å; S285-Q289 WeakPolarHBondContact O-CB 3.4Å; S285-Q289 WeakPolarHBondContact O-CG 3.3Å; S285-Q289 PolarHBondContact O-N 3.28Å; S285-Q289 PolarHBondContact OG-NE2 2.95Å; Y286-Q289 CarbonylContact O-C 3.6Å; Q289-T291 PolarHBondContact O-N 2.85Å |
| 290 | G | 54.7 | Low | 67.8 | Low | 30 Ų | 30 | 142.1 Ų | 142.1 | 31% | 0.309 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -37.8 | 126.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y286 L287 R292 | Y286-G290 WeakPolarHBondContact O-CA 3.32Å; Y286-G290 PolarHBondContact O-N 3.41Å; Y286-G290 VanDerWaalsContact O-N 3.09Å; L287-G290 WeakPolarHBondContact O-CA 3.48Å; L287-G290 PolarHBondContact O-N 3.4Å; L287-G290 VanDerWaalsContact O-N 3.09Å; G290-R292 PolarHBondContact O-N 3.24Å |
| 291 | T | 60.5 | Low | 65.4 | Low | 143 Ų | 143 | 147.4 Ų | 147.4 | 88% | 0.877 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 33.6 | 32.8 | 162.8 | 36 | 0 | 0 | 0 | 0 | 117.6 | Q289 H293 | Q289-T291 PolarHBondContact O-N 2.85Å; T291-H293 PolarHBondContact O-N 2.74Å; T291-H293 VanDerWaalsContact O-N 3.13Å |
| 292 | R | 57.8 | Low | 62.8 | Low | 211 Ų | 211 | 147 Ų | 147 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | trans | -87.8 | 82.2 | 170.6 | -79.9 | -172.1 | 160.6 | -165.8 | -2.3 | 108.7 | G290 K294 | G290-R292 PolarHBondContact O-N 3.24Å; R292-K294 PolarHBondContact O-N 3.01Å | ||
| 293 | H | 56.8 | Low | 60.4 | Low | 182 Ų | 182 | 152.1 Ų | 152.1 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | trans | -59.6 | 88.9 | 154.2 | -64 | -73.2 | 0 | 0 | 0 | 108.7 | T291 | T291-H293 PolarHBondContact O-N 2.74Å; T291-H293 VanDerWaalsContact O-N 3.13Å | ||
| 294 | K | 54.3 | Low | 57.8 | Low | 168 Ų | 168 | 154 Ų | 154 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | trans | -120.2 | 98.4 | 160.9 | -90.1 | -172.5 | 173.9 | -178.6 | 0 | 108.9 | R292 M296 | R292-K294 PolarHBondContact O-N 3.01Å; K294-M296 PolarHBondContact O-N 2.78Å; K294-M296 VanDerWaalsContact O-N 3.13Å | ||
| 295 | K | 60.1 | Low | 55.3 | Low | 207 Ų | 207 | 156 Ų | 156 | 90% | 0.9 | 74% | 0.743 | S | S | * | * | trans | -51.7 | 113.9 | 157.5 | -63.1 | -170.9 | 179.1 | -178.4 | 0 | 107.5 | ||||
| 296 | M | 49.3 | Very low | 53.6 | Low | 179 Ų | 179 | 160.5 Ų | 160.5 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | -120.6 | 127.9 | 157.2 | -88.1 | -62.2 | -159.8 | 0 | 0 | 109 | K294 | K294-M296 PolarHBondContact O-N 2.78Å; K294-M296 VanDerWaalsContact O-N 3.13Å | ||
| 297 | K | 44.6 | Very low | 51.7 | Low | 199 Ų | 199 | 162.2 Ų | 162.2 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -59.5 | 144.9 | -172 | -91.9 | 177.5 | 164.4 | 179.2 | 0 | 112.3 | K299 | K297-K299 PolarHBondContact O-N 3.17Š| ||
| 298 | K | 60.2 | Low | 49.3 | Very low | 212 Ų | 212 | 167.2 Ų | 167.2 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | trans | -48 | 119.8 | 152.6 | -165.9 | 177.2 | -173.8 | 178.4 | 0 | 111.1 | ||||
| 299 | K | 42.9 | Very low | 47.3 | Very low | 188 Ų | 188 | 160.8 Ų | 160.8 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -171.4 | 137.5 | 157.2 | -131.5 | -162.1 | 170 | -176 | 0 | 105.2 | K297 | K297-K299 PolarHBondContact O-N 3.17Š| ||
| 300 | D | 38.2 | Very low | 46.4 | Very low | 129 Ų | 129 | 160.2 Ų | 160.2 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | cis | -156.8 | 164.9 | -11.8 | -141.5 | -34.9 | 0 | 0 | 0 | 105.7 | ||||
| 301 | K | 41.7 | Very low | 45.9 | Very low | 203 Ų | 203 | 168.1 Ų | 168.1 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -29.4 | 142.3 | 164.3 | -97.5 | 160.3 | 162.7 | 176.8 | 0 | 117.8 | ||||
| 302 | G | 34.7 | Very low | 45.6 | Very low | 72 Ų | 72 | 165.7 Ų | 165.7 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | 158.2 | 85.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 303 | K | 37.6 | Very low | 45.5 | Very low | 194 Ų | 194 | 163 Ų | 163 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | 56.7 | 125.8 | 92.2 | -102.7 | -163.8 | 179.5 | -162.7 | 0 | 115.9 | |||||
| 304 | L | 35.7 | Very low | 45.2 | Very low | 138 Ų | 138 | 162.6 Ų | 162.6 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | trans | 65.4 | 143.9 | 157.7 | -98.4 | 78.2 | 0 | 0 | 0 | 115.8 | ||||
| 305 | D | 35.4 | Very low | 45.5 | Very low | 134 Ų | 134 | 159 Ų | 159 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | cis | -159.5 | 164.7 | 15.1 | -140.2 | -27 | 0 | 0 | 0 | 109.7 | ||||
| 306 | D | 46.1 | Very low | 45.6 | Very low | 139 Ų | 139 | 156.2 Ų | 156.2 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -59.2 | 155.6 | 172.3 | -86.6 | -49.6 | 0 | 0 | 0 | 113.3 | ||||
| 307 | K | 41.6 | Very low | 46.2 | Very low | 190 Ų | 190 | 154.5 Ų | 154.5 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 120.5 | 112.4 | 142 | -58.2 | -150.3 | -177.4 | -174.4 | 0 | 117.5 | ||||
| 308 | R | 33.3 | Very low | 46.9 | Very low | 239 Ų | 239 | 152.4 Ų | 152.4 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | 82.8 | 110.2 | 127.8 | -152.4 | 162.4 | -169.2 | 178.7 | 2.5 | 117.1 | |||||
| 309 | A | 37.8 | Very low | 46.9 | Very low | 86 Ų | 86 | 150.2 Ų | 150.2 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -66.8 | 173.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 310 | P | 50.8 | Low | 47.7 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | cis | -131.5 | 157.4 | -1.7 | 38.1 | -21.6 | 0 | 0 | 0 | 113.1 | ||||
| 311 | E | 44.8 | Very low | 49 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -146.2 | 104.4 | 160.7 | -145.9 | 167.6 | -159.3 | 0 | 0 | 110.3 | ||||
| 312 | A | 53.9 | Low | 49.9 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -87.6 | 108.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 313 | D | 56.3 | Low | 51.3 | Low | 154 Ų | 154 | 148.8 Ų | 148.8 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 175.1 | 74.7 | 148.6 | -103.9 | -11.7 | 0 | 0 | 0 | 110.3 | ||||
| 314 | L | 51.2 | Low | 51.9 | Low | 175 Ų | 175 | 146.8 Ų | 146.8 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -119.1 | 99.9 | 159.9 | -66.1 | 177 | 0 | 0 | 0 | 107.6 | I316 | L314-I316 PolarHBondContact O-N 3.17Å; L314-I316 VanDerWaalsContact O-N 3.13Å | ||
| 315 | S | 58.8 | Low | 52.6 | Low | 92 Ų | 92 | 144.9 Ų | 144.9 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | trans | -57.5 | 113 | 167.4 | -99.1 | 0 | 0 | 0 | 0 | 108.9 | F317 D318 | S315-F317 PolarHBondContact O-N 3.17Å; S315-D318 PolarHBondContact O-N 3.02Å | ||
| 316 | I | 62.4 | Low | 52.8 | Low | 148 Ų | 148 | 144.2 Ų | 144.2 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -1.3 | -178.2 | -166.4 | 170.5 | 0 | 0 | 0 | 114.5 | L314 | L314-I316 PolarHBondContact O-N 3.17Å; L314-I316 VanDerWaalsContact O-N 3.13Å |
| 317 | F | 61.5 | Low | 52.6 | Low | 144 Ų | 144 | 142.4 Ų | 142.4 | 63% | 0.632 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 15.7 | -175 | -61.6 | -65.2 | 0 | 0 | 0 | 115 | S315 D319 I320 | S315-F317 PolarHBondContact O-N 3.17Å; F317-D319 PolarHBondContact O-N 3.47Å; F317-I320 HydrophobicContact CD1-CD1 3.96Å; F317-I320 PolarHBondContact O-N 3.06Å |
| 318 | D | 59.8 | Low | 52.6 | Low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -14.8 | 175.7 | -107.5 | 21 | 0 | 0 | 0 | 113.7 | S315 | S315-D318 PolarHBondContact O-N 3.02Š|
| 319 | D | 59.7 | Low | 52.6 | Low | 165 Ų | 165 | 134.3 Ų | 134.3 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 9.5 | -177.6 | -147.1 | 21.9 | 0 | 0 | 0 | 113.8 | F317 | F317-D319 PolarHBondContact O-N 3.47Š|
| 320 | I | 61.5 | Low | 52.6 | Low | 125 Ų | 125 | 139.7 Ų | 139.7 | 64% | 0.641 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -122.4 | 97.3 | 177.4 | -49.5 | 179.7 | 0 | 0 | 0 | 109.3 | F317 | F317-I320 HydrophobicContact CD1-CD1 3.96Å; F317-I320 PolarHBondContact O-N 3.06Å |
| 321 | G | 65 | Low | 52.7 | Low | 67 Ų | 67 | 139.3 Ų | 139.3 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 161.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y323 | G321-Y323 PolarHBondContact O-N 3.11Š|
| 322 | D | 60 | Low | 52.1 | Low | 166 Ų | 166 | 139.4 Ų | 139.4 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 127.2 | -171 | -65.3 | -40.8 | 0 | 0 | 0 | 114.6 | I324 | D322-I324 PolarHBondContact O-N 3.19Š|
| 323 | Y | 63.5 | Low | 51.2 | Low | 205 Ų | 205 | 141.9 Ų | 141.9 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 116.2 | -179.4 | 179.1 | -101.3 | 0 | 0 | 0 | 112 | G321 P325 | G321-Y323 PolarHBondContact O-N 3.11Å; Y323-P325 HydrophobicContact CD1-CG 4.2Å; Y323-P325 HydrophobicContact CE1-CB 4.23Å; Y323-P325 HydrophobicContact CE1-CG 4.07Å |
| 324 | I | 51.8 | Low | 50.2 | Low | 151 Ų | 151 | 144.2 Ų | 144.2 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | -98 | 114 | 176.6 | -56.5 | 175.4 | 0 | 0 | 0 | 109.9 | D322 S326 | D322-I324 PolarHBondContact O-N 3.19Å; I324-S326 PolarHBondContact O-N 3.41Å | ||
| 325 | P | 49 | Very low | 49.3 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -78.7 | 117.8 | -178.7 | -9.7 | 26.1 | 0 | 0 | 0 | 112.2 | Y323 | Y323-P325 HydrophobicContact CD1-CG 4.2Å; Y323-P325 HydrophobicContact CE1-CB 4.23Å; Y323-P325 HydrophobicContact CE1-CG 4.07Å | ||
| 326 | S | 39.3 | Very low | 48.1 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -87.8 | 108.7 | 171.3 | 62 | 0 | 0 | 0 | 0 | 111.4 | I324 | I324-S326 PolarHBondContact O-N 3.41Š| ||
| 327 | A | 43.2 | Very low | 46.7 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | 166.8 | 94.6 | 140.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 328 | T | 41.2 | Very low | 45.3 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -84.5 | 122.3 | 158.4 | 48.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 329 | S | 33.8 | Very low | 43.9 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 172.2 | 124.6 | 136.3 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 330 | K | 37.5 | Very low | 42.6 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | -100.4 | -173.3 | 149 | -60 | -150.3 | 177.1 | -169.9 | 0 | 108.1 | ||||
| 331 | P | 52.8 | Low | 41.3 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -138.5 | 176.5 | -10.4 | 32.4 | -11 | 0 | 0 | 0 | 114.4 | ||||
| 332 | K | 32.1 | Very low | 39.9 | Very low | 199 Ų | 199 | 154.7 Ų | 154.7 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | 176.1 | 150.9 | 128.1 | -110.2 | -177.8 | 174.8 | 176.5 | 0 | 116.4 | |||||
| 333 | D | 34.9 | Very low | 38.9 | Very low | 144 Ų | 144 | 154.3 Ų | 154.3 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -63.7 | 153.6 | -175.3 | -52.7 | -73.1 | 0 | 0 | 0 | 117.7 | ||||
| 334 | K | 35.1 | Very low | 37.7 | Very low | 202 Ų | 202 | 150.2 Ų | 150.2 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | -176.9 | 154.8 | 110.3 | -126.7 | 169.6 | 177.2 | 173.5 | 0 | 115.2 | |||||
| 335 | E | 33.2 | Very low | 36.9 | Very low | 133 Ų | 133 | 153.4 Ų | 153.4 | 62% | 0.621 | 79% | 0.794 | S | S | * | * | trans | -60.6 | 150 | -169.6 | -76.8 | 179.7 | 123.9 | 0 | 0 | 121.3 | ||||
| 336 | R | 32.3 | Very low | 36.6 | Very low | 200 Ų | 200 | 153.4 Ų | 153.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 69.2 | 128.9 | 130.7 | -66.8 | 176.6 | -156.9 | -152.2 | 8.1 | 123.2 | ||||
| 337 | H | 33.1 | Very low | 37.1 | Very low | 130 Ų | 130 | 158.5 Ų | 158.5 | 60% | 0.602 | 80% | 0.798 | S | S | * | * | trans | 103.1 | 112.6 | 133.7 | -95 | -56.6 | 0 | 0 | 0 | 122.2 | ||||
| 338 | R | 32.8 | Very low | 36.9 | Very low | 224 Ų | 224 | 165.7 Ų | 165.7 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | 67.1 | 133.5 | 131 | -86.6 | 171.7 | -171.8 | 149.5 | -0.8 | 122.1 | ||||
| 339 | G | 30.8 | Very low | 37 | Very low | 72 Ų | 72 | 167.5 Ų | 167.5 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 111.2 | 93.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 340 | R | 32.2 | Very low | 37.9 | Very low | 225 Ų | 225 | 165.4 Ų | 165.4 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | 67.1 | 122 | 75.6 | -170.1 | 166.9 | -166.9 | 171.2 | 8.6 | 112.8 | |||||
| 341 | D | 33 | Very low | 38.5 | Very low | 131 Ų | 131 | 167 Ų | 167 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 70.3 | 145.6 | 172 | -48 | -28.7 | 0 | 0 | 0 | 115 | ||||
| 342 | E | 36.8 | Very low | 38.3 | Very low | 177 Ų | 177 | 171.4 Ų | 171.4 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | cis | -155.7 | 167.5 | -24.3 | -112.7 | -161.9 | 158.9 | 0 | 0 | 102.5 | ||||
| 343 | D | 39.5 | Very low | 39.2 | Very low | 158 Ų | 158 | 169.2 Ų | 169.2 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | 82.1 | 69.9 | 154.6 | -129.4 | 7.5 | 0 | 0 | 0 | 119.6 | ||||
| 344 | S | 36.8 | Very low | 40.1 | Very low | 119 Ų | 119 | 171.8 Ų | 171.8 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -175.1 | 81.8 | 142.5 | -100.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 345 | K | 36.3 | Very low | 40.7 | Very low | 218 Ų | 218 | 168 Ų | 168 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | -125.2 | 61.1 | 162.4 | -81.1 | -178.4 | 178.5 | 168.3 | 0 | 110.2 | ||||
| 346 | S | 42 | Very low | 41.2 | Very low | 99 Ų | 99 | 173.2 Ų | 173.2 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | -100.8 | 124.8 | 156.5 | -170.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 347 | R | 48.8 | Very low | 41.8 | Very low | 225 Ų | 225 | 169.9 Ų | 169.9 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 78.9 | 91.8 | 171.2 | -50.8 | 176.5 | -159.3 | -177.8 | 4 | 116.7 | ||
| 348 | R | 40.2 | Very low | 42.2 | Very low | 253 Ų | 253 | 170.7 Ų | 170.7 | 96% | 0.955 | 82% | 0.819 | S | S | * | * | trans | -177 | 90.1 | 132.1 | -95.9 | 160.2 | -163.6 | -153.2 | 6.4 | 108.8 | ||||
| 349 | H | 43 | Very low | 42.6 | Very low | 179 Ų | 179 | 169.2 Ų | 169.2 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -83 | 127.8 | 163.7 | -106.8 | -62.9 | 0 | 0 | 0 | 108.8 | ||||
| 350 | A | 53.7 | Low | 42.8 | Very low | 74 Ų | 74 | 174.8 Ų | 174.8 | 61% | 0.612 | 83% | 0.828 | S | S | * | * | trans | -76.2 | 137.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F352 | A350-F352 PolarHBondContact O-N 3.25Š| ||
| 351 | Y | 50.2 | Low | 43.2 | Very low | 231 Ų | 231 | 169.5 Ų | 169.5 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 9.2 | -166.3 | -154.2 | -101.9 | 0 | 0 | 0 | 115.8 | ||
| 352 | F | 48.6 | Very low | 43.4 | Very low | 206 Ų | 206 | 171.9 Ų | 171.9 | 90% | 0.904 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 8.8 | -174.6 | -91.9 | -83.1 | 0 | 0 | 0 | 115 | A350 | A350-F352 PolarHBondContact O-N 3.25Š|
| 353 | E | 49 | Very low | 43.4 | Very low | 153 Ų | 153 | 171.5 Ų | 171.5 | 72% | 0.715 | 84% | 0.835 | S | S | * | * | trans | -96 | 110.9 | 175 | -117.4 | 172 | 174 | 0 | 0 | 110.9 | ||||
| 354 | K | 54.8 | Low | 43.6 | Very low | 199 Ų | 199 | 172.2 Ų | 172.2 | 87% | 0.865 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132.7 | 174.4 | -99.9 | 164.2 | 173.1 | 174.5 | 0 | 110.2 | R356 | K354-R356 PolarHBondContact O-N 3.15Š|
| 355 | P | 48.6 | Very low | 43.9 | Very low | 122 Ų | 122 | 172 Ų | 172 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 134.4 | 177.5 | -14 | 27.4 | 0 | 0 | 0 | 110.8 | V357 | P355-V357 PolarHBondContact O-N 3.38Š|
| 356 | R | 42.4 | Very low | 44.3 | Very low | 242 Ų | 242 | 169.6 Ų | 169.6 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 127.6 | 167.6 | -70.6 | -178.8 | 176.5 | 169.1 | -0.7 | 108.1 | K354 D358 | K354-R356 PolarHBondContact O-N 3.15Å; R356-D358 PolarHBondContact O-N 3.36Å; R356-D358 VanDerWaalsContact O-N 3.11Å |
| 357 | V | 44.4 | Very low | 44.5 | Very low | 130 Ų | 130 | 171 Ų | 171 | 79% | 0.788 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -65.1 | 104 | 168.9 | 176.4 | 0 | 0 | 0 | 0 | 106.3 | P355 | P355-V357 PolarHBondContact O-N 3.38Š|
| 358 | D | 43 | Very low | 44.8 | Very low | 147 Ų | 147 | 163 Ų | 163 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | 173.9 | 139.2 | 142.4 | -81.1 | -27.8 | 0 | 0 | 0 | 108.7 | R356 | R356-D358 PolarHBondContact O-N 3.36Å; R356-D358 VanDerWaalsContact O-N 3.11Å | ||
| 359 | E | 40.1 | Very low | 45.5 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | 80.9 | 91.2 | -176.3 | -61.6 | -162.5 | 146.9 | 0 | 0 | 117.9 | ||||
| 360 | H | 35.4 | Very low | 46.2 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -124.9 | 140.5 | 141.8 | -102.1 | -76.1 | 0 | 0 | 0 | 110 | ||||
| 361 | P | 40.1 | Very low | 47.1 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -73.4 | 140.2 | -178 | -7.5 | 24.6 | 0 | 0 | 0 | 111.5 | M363 | P361-M363 PolarHBondContact O-N 2.99Å; P361-M363 VanDerWaalsContact O-N 3.15Å | ||
| 362 | L | 37.2 | Very low | 47.9 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 95% | 0.948 | 77% | 0.766 | S | S | * | * | trans | -50.7 | 112 | 174.1 | -81 | 152.5 | 0 | 0 | 0 | 111.5 | ||||
| 363 | M | 36.9 | Very low | 48.6 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | trans | -90.9 | 125.6 | 155.7 | -67.9 | -153.8 | 168.1 | 0 | 0 | 107.9 | P361 V365 | P361-M363 PolarHBondContact O-N 2.99Å; P361-M363 VanDerWaalsContact O-N 3.15Å; M363-V365 VanDerWaalsContact O-CG2 3.28Å; M363-V365 WeakPolarHBondContact O-CG2 3.39Å; M363-V365 PolarHBondContact O-N 3.35Å | ||
| 364 | D | 45.1 | Very low | 49.9 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 93% | 0.925 | 74% | 0.743 | S | S | * | * | trans | -65.2 | 100.9 | 179 | -145.6 | -7.2 | 0 | 0 | 0 | 108.5 | ||||
| 365 | V | 41.3 | Very low | 50.6 | Low | 115 Ų | 115 | 132 Ų | 132 | 70% | 0.697 | 72% | 0.724 | S | S | * | * | trans | -106 | 116.9 | 174.1 | -150.1 | 0 | 0 | 0 | 0 | 106.1 | M363 T367 | M363-V365 VanDerWaalsContact O-CG2 3.28Å; M363-V365 WeakPolarHBondContact O-CG2 3.39Å; M363-V365 PolarHBondContact O-N 3.35Å; V365-T367 VanDerWaalsContact C-N 3.33Å; V365-T367 PolarHBondContact O-N 3.07Å | ||
| 366 | D | 46 | Very low | 51.9 | Low | 167 Ų | 167 | 130.6 Ų | 130.6 | 89% | 0.893 | 71% | 0.708 | S | S | * | * | trans | -50.4 | 90.7 | -179.8 | -143.5 | -8.9 | 0 | 0 | 0 | 110.5 | G368 | D366-G368 PolarHBondContact O-N 3.42Š| ||
| 367 | T | 44.8 | Very low | 53.5 | Low | 129 Ų | 129 | 125.7 Ų | 125.7 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -74.5 | 110.2 | -179.9 | 30.9 | 0 | 0 | 0 | 0 | 108.7 | V365 | V365-T367 VanDerWaalsContact C-N 3.33Å; V365-T367 PolarHBondContact O-N 3.07Å | ||
| 368 | G | 55.6 | Low | 55 | Low | 56 Ų | 56 | 123 Ų | 123 | 58% | 0.577 | 67% | 0.673 | S | S | * | * | trans | -50.6 | 158.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D366 G370 | D366-G368 PolarHBondContact O-N 3.42Å; G368-G370 PolarHBondContact O-N 2.93Å | ||
| 369 | P | 54.7 | Low | 56.6 | Low | 48 Ų | 48 | 120.4 Ų | 120.4 | 31% | 0.312 | 66% | 0.659 | S | S | . | * | trans | -54.5 | 109.1 | -161.3 | 26.7 | -40 | 0 | 0 | 0 | 112.2 | S371 D374 Q375 M378 | P369-S371 PolarHBondContact O-N 2.85Å; P369-D374 HydrophobicContact CB-CB 3.76Å; P369-Q375 HydrophobicContact CB-CG 4.03Å; P369-Q375 HydrophobicContact CG-CG 3.48Å; P369-Q375 VanDerWaalsContact CG-CG 3.48Å; P369-M378 HydrophobicContact CB-CE 3.7Å; P369-M378 HydrophobicContact CG-CE 3.37Å | ||
| 370 | G | 57.9 | Low | 58.2 | Low | 82 Ų | 82 | 116.5 Ų | 116.5 | 85% | 0.845 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -73.6 | 17.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G368 | G368-G370 PolarHBondContact O-N 2.93Š|
| 371 | S | 72 | Confident | 60.2 | Low | 50 Ų | 50 | 114.2 Ų | 114.2 | 35% | 0.35 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -156 | 139.7 | 174.9 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | P369 K373 D374 Q375 | P369-S371 PolarHBondContact O-N 2.85Å; S371-K373 PolarHBondContact O-N 3.45Å; S371-K373 VanDerWaalsContact O-N 3.12Å; S371-K373 PolarHBondContact OG-N 3.14Å; S371-D374 WeakPolarHBondContact CB-OD2 3.49Å; S371-D374 WeakPolarHBondContact O-CA 3.35Å; S371-D374 WeakPolarHBondContact O-CB 3.48Å; S371-D374 PolarHBondContact O-N 3.27Å; S371-Q375 PolarHBondContact O-N 2.95Å |
| 372 | I | 67.7 | Low | 62 | Low | 124 Ų | 124 | 115.9 Ų | 115.9 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -54.7 | -30.6 | 173.3 | -66.3 | 168.2 | 0 | 0 | 0 | 110.5 | D374 Q375 I376 | I372-D374 VanDerWaalsContact C-N 3.31Å; I372-D374 PolarHBondContact O-N 3.06Å; I372-Q375 PolarHBondContact O-N 3.28Å; I372-I376 HydrophobicContact CG2-CD1 3.84Å; I372-I376 HydrophobicContact CG2-CG1 4.41Å; I372-I376 VanDerWaalsContact O-CG1 3.27Å; I372-I376 WeakPolarHBondContact O-CG1 3.42Å; I372-I376 PolarHBondContact O-N 3.21Å |
| 373 | K | 64.4 | Low | 63.5 | Low | 166 Ų | 166 | 114 Ų | 114 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.3 | -37.5 | 174.3 | -67.4 | -175.7 | 177.2 | 180 | 0 | 112.2 | S371 K377 | S371-K373 PolarHBondContact O-N 3.45Å; S371-K373 VanDerWaalsContact O-N 3.12Å; S371-K373 PolarHBondContact OG-N 3.14Å; K373-K377 WeakPolarHBondContact O-CB 3.44Å; K373-K377 PolarHBondContact O-N 2.8Å |
| 374 | D | 75.1 | Confident | 64.5 | Low | 79 Ų | 79 | 108.2 Ų | 108.2 | 42% | 0.422 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -77.5 | -32.9 | 179.9 | -61.2 | -33.5 | 0 | 0 | 0 | 111.8 | P369 S371 I372 K377 M378 | P369-D374 HydrophobicContact CB-CB 3.76Å; S371-D374 WeakPolarHBondContact CB-OD2 3.49Å; S371-D374 WeakPolarHBondContact O-CA 3.35Å; S371-D374 WeakPolarHBondContact O-CB 3.48Å; S371-D374 PolarHBondContact O-N 3.27Å; I372-D374 VanDerWaalsContact C-N 3.31Å; I372-D374 PolarHBondContact O-N 3.06Å; D374-K377 PolarHBondContact O-N 3.48Å; D374-M378 WeakPolarHBondContact O-CG 3.38Å; D374-M378 PolarHBondContact O-N 3.15Å |
| 375 | Q | 70.3 | Confident | 64.9 | Low | 97 Ų | 97 | 105.6 Ų | 105.6 | 45% | 0.453 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.1 | -44.7 | 169.7 | -76.8 | -177.1 | -7 | 0 | 0 | 111.9 | P369 S371 I372 K377 M378 I379 | P369-Q375 HydrophobicContact CB-CG 4.03Å; P369-Q375 HydrophobicContact CG-CG 3.48Å; P369-Q375 VanDerWaalsContact CG-CG 3.48Å; S371-Q375 PolarHBondContact O-N 2.95Å; I372-Q375 PolarHBondContact O-N 3.28Å; Q375-K377 VanDerWaalsContact C-N 3.32Å; Q375-K377 PolarHBondContact O-N 3.02Å; Q375-M378 PolarHBondContact O-N 3.35Å; Q375-I379 WeakPolarHBondContact O-CB 3.44Å; Q375-I379 WeakPolarHBondContact O-CD1 3.28Å; Q375-I379 WeakPolarHBondContact O-CG1 3.33Å; Q375-I379 PolarHBondContact O-N 3.17Å |
| 376 | I | 75.3 | Confident | 65.3 | Low | 91 Ų | 91 | 102.3 Ų | 102.3 | 47% | 0.467 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.9 | -39.7 | 177.4 | -68.6 | 166.5 | 0 | 0 | 0 | 110.8 | I372 I379 N380 | I372-I376 HydrophobicContact CG2-CD1 3.84Å; I372-I376 HydrophobicContact CG2-CG1 4.41Å; I372-I376 VanDerWaalsContact O-CG1 3.27Å; I372-I376 WeakPolarHBondContact O-CG1 3.42Å; I372-I376 PolarHBondContact O-N 3.21Å; I376-I379 PolarHBondContact O-N 2.91Å; I376-N380 WeakPolarHBondContact O-CB 3.49Å; I376-N380 PolarHBondContact O-N 3.19Å |
| 377 | K | 77 | Confident | 65.4 | Low | 140 Ų | 140 | 97.5 Ų | 97.5 | 61% | 0.609 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.9 | -47.3 | 176 | -165.9 | 178.7 | 178.7 | -170.2 | 0 | 111.4 | K373 D374 Q375 I379 N380 E381 | K373-K377 WeakPolarHBondContact O-CB 3.44Å; K373-K377 PolarHBondContact O-N 2.8Å; D374-K377 PolarHBondContact O-N 3.48Å; Q375-K377 VanDerWaalsContact C-N 3.32Å; Q375-K377 PolarHBondContact O-N 3.02Å; K377-I379 VanDerWaalsContact C-N 3.35Å; K377-I379 PolarHBondContact O-N 2.95Å; K377-N380 PolarHBondContact O-N 3.19Å; K377-E381 WeakPolarHBondContact O-CB 3.18Å; K377-E381 PolarHBondContact O-N 2.94Å |
| 378 | M | 75.9 | Confident | 65.5 | Low | 73 Ų | 73 | 98 Ų | 98 | 36% | 0.36 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -36.2 | 176.2 | -79.8 | -161.8 | -66.8 | 0 | 0 | 113.5 | P369 D374 Q375 E381 K382 | P369-M378 HydrophobicContact CB-CE 3.7Å; P369-M378 HydrophobicContact CG-CE 3.37Å; D374-M378 WeakPolarHBondContact O-CG 3.38Å; D374-M378 PolarHBondContact O-N 3.15Å; Q375-M378 PolarHBondContact O-N 3.35Å; M378-E381 PolarHBondContact O-N 3.21Å; M378-K382 WeakPolarHBondContact O-CB 3.32Å; M378-K382 VanDerWaalsContact O-CG 3.27Å; M378-K382 WeakPolarHBondContact O-CG 3.44Å; M378-K382 PolarHBondContact O-N 3.27Å |
| 379 | I | 75.9 | Confident | 65.2 | Low | 93 Ų | 93 | 103.4 Ų | 103.4 | 48% | 0.477 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.6 | -44.6 | 176.7 | -70.1 | 164 | 0 | 0 | 0 | 110.1 | Q375 I376 K377 E381 K382 F383 | Q375-I379 WeakPolarHBondContact O-CB 3.44Å; Q375-I379 WeakPolarHBondContact O-CD1 3.28Å; Q375-I379 WeakPolarHBondContact O-CG1 3.33Å; Q375-I379 PolarHBondContact O-N 3.17Å; I376-I379 PolarHBondContact O-N 2.91Å; K377-I379 VanDerWaalsContact C-N 3.35Å; K377-I379 PolarHBondContact O-N 2.95Å; I379-E381 VanDerWaalsContact C-N 3.32Å; I379-E381 PolarHBondContact O-N 3.3Å; I379-K382 PolarHBondContact O-N 3.21Å; I379-F383 HydrophobicContact CG2-CD2 4.23Å; I379-F383 WeakPolarHBondContact O-CB 3.41Å; I379-F383 WeakPolarHBondContact O-CD2 3.49Å; I379-F383 PolarHBondContact O-N 3.5Å |
| 380 | N | 74.6 | Confident | 64.6 | Low | 110 Ų | 110 | 110.9 Ų | 110.9 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.3 | -33.3 | 176.2 | -77.8 | -14 | 0 | 0 | 0 | 112.5 | I376 K377 G384 | I376-N380 WeakPolarHBondContact O-CB 3.49Å; I376-N380 PolarHBondContact O-N 3.19Å; K377-N380 PolarHBondContact O-N 3.19Å; N380-G384 WeakPolarHBondContact O-CA 3.38Å; N380-G384 PolarHBondContact O-N 3.2Å |
| 381 | E | 76.9 | Confident | 64 | Low | 142 Ų | 142 | 114.4 Ų | 114.4 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.9 | -39.7 | 175.1 | -128.5 | 169.5 | -173.3 | 0 | 0 | 112.2 | K377 M378 I379 | K377-E381 WeakPolarHBondContact O-CB 3.18Å; K377-E381 PolarHBondContact O-N 2.94Å; M378-E381 PolarHBondContact O-N 3.21Å; I379-E381 VanDerWaalsContact C-N 3.32Å; I379-E381 PolarHBondContact O-N 3.3Å |
| 382 | K | 76.5 | Confident | 62.6 | Low | 150 Ų | 150 | 119.5 Ų | 119.5 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.5 | -29.6 | -177.9 | -72.6 | -177.6 | -178.2 | -164.9 | 0 | 113.9 | M378 I379 | M378-K382 WeakPolarHBondContact O-CB 3.32Å; M378-K382 VanDerWaalsContact O-CG 3.27Å; M378-K382 WeakPolarHBondContact O-CG 3.44Å; M378-K382 PolarHBondContact O-N 3.27Å; I379-K382 PolarHBondContact O-N 3.21Å |
| 383 | F | 69.1 | Low | 61.3 | Low | 141 Ų | 141 | 121.3 Ų | 121.3 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -122.1 | -7.5 | -173.2 | -62.1 | -79.6 | 0 | 0 | 0 | 114.2 | I379 T385 A386 | I379-F383 HydrophobicContact CG2-CD2 4.23Å; I379-F383 WeakPolarHBondContact O-CB 3.41Å; I379-F383 WeakPolarHBondContact O-CD2 3.49Å; I379-F383 PolarHBondContact O-N 3.5Å; F383-T385 PolarHBondContact O-N 3.09Å; F383-A386 WeakPolarHBondContact O-CB 3.41Å; F383-A386 PolarHBondContact O-N 3.09Å; F383-A386 VanDerWaalsContact O-N 3.14Å |
| 384 | G | 58.6 | Low | 60.4 | Low | 47 Ų | 47 | 121.9 Ų | 121.9 | 49% | 0.485 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -21.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N380 | N380-G384 WeakPolarHBondContact O-CA 3.38Å; N380-G384 PolarHBondContact O-N 3.2Å |
| 385 | T | 52.4 | Low | 59 | Low | 118 Ų | 118 | 124.2 Ų | 124.2 | 72% | 0.724 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -15.6 | 175.5 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | F383 A387 | F383-T385 PolarHBondContact O-N 3.09Å; T385-A387 VanDerWaalsContact C-N 3.33Å; T385-A387 PolarHBondContact O-N 3.36Å |
| 386 | A | 50.4 | Low | 57.6 | Low | 45 Ų | 45 | 130 Ų | 130 | 37% | 0.372 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -78.2 | -15.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | F383 N388 Q389 | F383-A386 WeakPolarHBondContact O-CB 3.41Å; F383-A386 PolarHBondContact O-N 3.09Å; F383-A386 VanDerWaalsContact O-N 3.14Å; A386-N388 VanDerWaalsContact C-N 3.27Å; A386-N388 PolarHBondContact O-N 2.93Å; A386-Q389 PolarHBondContact O-N 3.33Å |
| 387 | A | 48 | Very low | 56.3 | Low | 66 Ų | 66 | 131.3 Ų | 131.3 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -67.8 | -23.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T385 | T385-A387 VanDerWaalsContact C-N 3.33Å; T385-A387 PolarHBondContact O-N 3.36Å |
| 388 | N | 47.7 | Very low | 54.6 | Low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -84.1 | -7 | -179.7 | -77.4 | -16.2 | 0 | 0 | 0 | 114.2 | A386 | A386-N388 VanDerWaalsContact C-N 3.27Å; A386-N388 PolarHBondContact O-N 2.93Å |
| 389 | Q | 48.1 | Very low | 52.9 | Low | 170 Ų | 170 | 134.6 Ų | 134.6 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -97.8 | -9.8 | -174.4 | -154.9 | 146.6 | 36.1 | 0 | 0 | 114.1 | A386 | A386-Q389 PolarHBondContact O-N 3.33Š|
| 390 | W | 42.4 | Very low | 51.4 | Low | 206 Ų | 206 | 137.5 Ų | 137.5 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -98.3 | 4.5 | -179.1 | -68.1 | 89.6 | 0 | 0 | 0 | 114.2 | ||
| 391 | Q | 44.8 | Very low | 49.9 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 73% | 0.729 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -99.5 | 2.2 | -174.4 | -141.3 | 148.3 | 16.8 | 0 | 0 | 114.2 | ||
| 392 | N | 44.1 | Very low | 48.2 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | -126.3 | 63.7 | 176.1 | -84.1 | -40.4 | 0 | 0 | 0 | 111.8 | ||||
| 393 | Q | 39 | Very low | 47.1 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | -120.1 | 113.2 | 154.8 | -73.6 | -170.7 | 16.2 | 0 | 0 | 108.1 | ||||
| 394 | E | 47 | Very low | 45.9 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.4 | 175.2 | -69.3 | -164.6 | 152.7 | 0 | 0 | 111.3 | Y396 | E394-Y396 PolarHBondContact O-N 3.46Š|
| 395 | P | 44.7 | Very low | 45.2 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 124.9 | 175.3 | 29.6 | -31 | 0 | 0 | 0 | 111 | ||
| 396 | Y | 41.1 | Very low | 44.9 | Very low | 219 Ų | 219 | 150.9 Ų | 150.9 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 149.2 | 169.6 | -78.2 | -86.5 | 0 | 0 | 0 | 112 | E394 | E394-Y396 PolarHBondContact O-N 3.46Š|
| 397 | P | 47.5 | Very low | 44.6 | Very low | 117 Ų | 117 | 156.8 Ų | 156.8 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 133.7 | -174.7 | 31 | -33 | 0 | 0 | 0 | 111.8 | L399 | P397-L399 PolarHBondContact O-N 3.34Š|
| 398 | S | 42.3 | Very low | 44.4 | Very low | 114 Ų | 114 | 162.2 Ų | 162.2 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70 | 122.9 | 172.4 | 54.8 | 0 | 0 | 0 | 0 | 111.1 | L400 | S398-L400 PolarHBondContact O-N 3.39Š|
| 399 | L | 40.5 | Very low | 44.2 | Very low | 169 Ų | 169 | 163.6 Ų | 163.6 | 89% | 0.885 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 123.3 | 170.8 | -79.1 | 161 | 0 | 0 | 0 | 110.8 | P397 L401 | P397-L399 PolarHBondContact O-N 3.34Å; L399-L401 PolarHBondContact O-N 3.23Å |
| 400 | L | 44 | Very low | 43.9 | Very low | 153 Ų | 153 | 163.2 Ų | 163.2 | 80% | 0.801 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 118.9 | 168.8 | -71.8 | 162 | 0 | 0 | 0 | 109.8 | S398 | S398-L400 PolarHBondContact O-N 3.39Š|
| 401 | L | 43.4 | Very low | 44 | Very low | 170 Ų | 170 | 160.1 Ų | 160.1 | 89% | 0.89 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 117.9 | 160.8 | -112.4 | 88.3 | 0 | 0 | 0 | 108.7 | L399 | L399-L401 PolarHBondContact O-N 3.23Š|
| 402 | F | 39.8 | Very low | 43.9 | Very low | 183 Ų | 183 | 160.5 Ų | 160.5 | 80% | 0.803 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 152.3 | 168.8 | -86.2 | -93.5 | 0 | 0 | 0 | 111.3 | ||
| 403 | P | 53.8 | Low | 43.9 | Very low | 117 Ų | 117 | 160.8 Ų | 160.8 | 76% | 0.76 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 141.9 | 178.1 | 34.9 | -30.7 | 0 | 0 | 0 | 111.1 | ||
| 404 | V | 44 | Very low | 44.4 | Very low | 219 Ų | 219 | 160.6 Ų | 160.6 | 100% | 1.327 | 87% | 0.868 | S | S | * | * | trans | -135 | 0 | 152.2 | 179 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 404 of 404 residues in 304.7 ms
(Link to these results)