| 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 | 43.3 | Very low | 50.8 | Low | 247 Ų | 247 | 167.2 Ų | 167.2 | 100% | 1.217 | 83% | 0.825 | S | S | * | * | 0 | 139.6 | 0 | -74 | 172.4 | 174.2 | 0 | 0 | 108.4 | |||||
| 2 | T | 49.2 | Very low | 50.8 | Low | 140 Ų | 140 | 164.8 Ų | 164.8 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79 | 141.7 | -179.9 | 38.6 | 0 | 0 | 0 | 0 | 111.2 | N4 | T2-N4 PolarHBondContact O-N 3.2Š|
| 3 | L | 54.3 | Low | 50.8 | Low | 182 Ų | 182 | 165.8 Ų | 165.8 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 126.3 | -179.6 | -133.1 | 78.8 | 0 | 0 | 0 | 110.4 | ||
| 4 | N | 49.5 | Very low | 51 | Low | 122 Ų | 122 | 168.9 Ų | 168.9 | 65% | 0.652 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 133.6 | -171.6 | -169.4 | -19.8 | 0 | 0 | 0 | 111.4 | T2 K6 | T2-N4 PolarHBondContact O-N 3.2Å; N4-K6 PolarHBondContact O-N 3.11Å |
| 5 | M | 58.1 | Low | 51.2 | Low | 186 Ų | 186 | 165.4 Ų | 165.4 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -76.6 | 51.7 | -166.8 | -161.2 | 165.1 | 64.9 | 0 | 0 | 113.7 | N7 | M5-N7 PolarHBondContact O-N 2.92Š| ||
| 6 | K | 53 | Low | 51.4 | Low | 170 Ų | 170 | 168.4 Ų | 168.4 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | trans | -86.9 | 9.6 | -168.9 | -73.8 | -168.3 | 175.3 | -176.5 | 0 | 116.6 | N4 | N4-K6 PolarHBondContact O-N 3.11Š| ||
| 7 | N | 54 | Low | 52.1 | Low | 160 Ų | 160 | 162.8 Ų | 162.8 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -135.7 | 72.7 | -174.6 | -83.7 | -33.8 | 0 | 0 | 0 | 114.1 | M5 | M5-N7 PolarHBondContact O-N 2.92Š| ||
| 8 | Y | 49.6 | Very low | 52.3 | Low | 223 Ų | 223 | 162.2 Ų | 162.2 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -145.5 | 113.3 | 149.3 | -154 | -105.7 | 0 | 0 | 0 | 111.4 | ||||
| 9 | K | 49.2 | Very low | 52.7 | Low | 178 Ų | 178 | 158.8 Ų | 158.8 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | -122.1 | 85.7 | 178 | -172.3 | -175.7 | 179 | -170.3 | 0 | 107.8 | ||||
| 10 | G | 50.6 | Low | 52.9 | Low | 38 Ų | 38 | 158.7 Ų | 158.7 | 39% | 0.392 | 79% | 0.786 | S | S | . | * | trans | -57.4 | 148.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | E12 | G10-E12 PolarHBondContact O-N 2.88Š| ||
| 11 | F | 47.9 | Very low | 53.2 | Low | 193 Ų | 193 | 158.6 Ų | 158.6 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 131.1 | 179.6 | -154.6 | -107.6 | 0 | 0 | 0 | 109.9 | K13 | F11-K13 PolarHBondContact O-N 2.77Š|
| 12 | E | 51.4 | Low | 54.3 | Low | 139 Ų | 139 | 151.5 Ų | 151.5 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.9 | 10.5 | 169.5 | -64.7 | -173.5 | -169.7 | 0 | 0 | 122.2 | G10 R14 | G10-E12 PolarHBondContact O-N 2.88Å; E12-R14 PolarHBondContact O-N 3.37Å |
| 13 | K | 50.9 | Low | 55.1 | Low | 178 Ų | 178 | 153 Ų | 153 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | trans | 49.5 | 23.5 | 156 | -83.9 | -159.9 | 176.6 | -168.4 | 0 | 118.3 | F11 | F11-K13 PolarHBondContact O-N 2.77Š| ||
| 14 | R | 52.4 | Low | 55.8 | Low | 209 Ų | 209 | 148.5 Ų | 148.5 | 79% | 0.789 | 73% | 0.725 | S | S | * | * | trans | -90.5 | 144.9 | 173.5 | -71.4 | 178.7 | 179 | -166.2 | -0.4 | 110.2 | E12 Y16 | E12-R14 PolarHBondContact O-N 3.37Å; R14-Y16 PolarHBondContact O-N 2.76Å | ||
| 15 | P | 54.7 | Low | 56.8 | Low | 116 Ų | 116 | 149.8 Ų | 149.8 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | -61.4 | 131 | 172.3 | 26.8 | -33.2 | 0 | 0 | 0 | 109 | C17 | P15-C17 PolarHBondContact O-N 2.81Š| ||
| 16 | Y | 54.5 | Low | 57.1 | Low | 214 Ų | 214 | 149.5 Ų | 149.5 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | trans | -61.9 | 101.4 | 172.1 | -93.6 | -93.7 | 0 | 0 | 0 | 108.8 | R14 | R14-Y16 PolarHBondContact O-N 2.76Š| ||
| 17 | C | 62.9 | Low | 57.9 | Low | 73 Ų | 73 | 147.1 Ų | 147.1 | 49% | 0.493 | 73% | 0.726 | S | S | . | * | trans | -88.1 | 145.3 | 174.4 | 60.1 | 0 | 0 | 0 | 0 | 110.3 | P15 A19 H20 | P15-C17 PolarHBondContact O-N 2.81Å; C17-A19 PolarHBondContact O-N 2.89Å; C17-H20 PolarHBondContact O-N 2.96Å | ||
| 18 | N | 56.2 | Low | 58.6 | Low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -14.7 | -177.1 | -79 | -28 | 0 | 0 | 0 | 114.5 | H20 | N18-H20 VanDerWaalsContact C-N 3.33Š|
| 19 | A | 59.2 | Low | 59.7 | Low | 98 Ų | 98 | 139.1 Ų | 139.1 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -17.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C17 | C17-A19 PolarHBondContact O-N 2.89Š|
| 20 | H | 56.6 | Low | 60.6 | Low | 156 Ų | 156 | 134.1 Ų | 134.1 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -112.3 | 16 | -177.2 | -133.7 | -132.7 | 0 | 0 | 0 | 112.6 | C17 N18 P22 | C17-H20 PolarHBondContact O-N 2.96Å; N18-H20 VanDerWaalsContact C-N 3.33Å; H20-P22 WeakPolarHBondContact O-CD 3.46Å |
| 21 | Y | 59.5 | Low | 61.7 | Low | 158 Ų | 158 | 137.5 Ų | 137.5 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -85.8 | 110.7 | 164.6 | -166 | -88.7 | 0 | 0 | 0 | 108.2 | K23 | Y21-K23 PolarHBondContact O-N 2.84Š|
| 22 | P | 66.3 | Low | 63.5 | Low | 97 Ų | 97 | 130.6 Ų | 130.6 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | trans | -65.7 | 107.1 | 179.1 | 26.7 | -33.1 | 0 | 0 | 0 | 109.1 | H20 T24 | H20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-T24 PolarHBondContact O-N 3.02Å | ||
| 23 | K | 67.4 | Low | 65.2 | Low | 171 Ų | 171 | 129.3 Ų | 129.3 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | trans | -74.1 | 80.1 | 175.6 | -63.4 | -176.5 | -175.7 | 179.6 | 0 | 109.3 | Y21 N25 | Y21-K23 PolarHBondContact O-N 2.84Å; K23-N25 PolarHBondContact O-N 3.14Å | ||
| 24 | T | 68.3 | Low | 66.7 | Low | 88 Ų | 88 | 126.6 Ų | 126.6 | 54% | 0.54 | 68% | 0.678 | S | S | . | * | trans | -69.1 | 97.3 | 172.3 | 39.9 | 0 | 0 | 0 | 0 | 109.3 | P22 F26 | P22-T24 PolarHBondContact O-N 3.02Å; T24-F26 HydrophobicContact CG2-CZ 4.38Å; T24-F26 VanDerWaalsContact O-CD2 3.31Å; T24-F26 WeakPolarHBondContact O-CD2 3.13Å; T24-F26 PolarHBondContact O-N 3.38Å; T24-F26 VanDerWaalsContact O-N 3.09Å; T24-F26 VanDerWaalsContact OG1-CE2 3.3Å; T24-F26 WeakPolarHBondContact OG1-CE2 3.48Å | ||
| 25 | N | 69.3 | Low | 68.3 | Low | 150 Ų | 150 | 120.5 Ų | 120.5 | 80% | 0.802 | 66% | 0.661 | S | S | * | * | trans | -76.4 | 94.6 | 172.4 | -66.5 | -35.2 | 0 | 0 | 0 | 108.7 | K23 T27 | K23-N25 PolarHBondContact O-N 3.14Å; N25-T27 PolarHBondContact O-N 3.36Å | ||
| 26 | F | 65.1 | Low | 69.8 | Low | 179 Ų | 179 | 118.3 Ų | 118.3 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | trans | -77.2 | 106.2 | 171.5 | -59.8 | -78.9 | 0 | 0 | 0 | 109.5 | T24 | T24-F26 HydrophobicContact CG2-CZ 4.38Å; T24-F26 VanDerWaalsContact O-CD2 3.31Å; T24-F26 WeakPolarHBondContact O-CD2 3.13Å; T24-F26 PolarHBondContact O-N 3.38Å; T24-F26 VanDerWaalsContact O-N 3.09Å; T24-F26 VanDerWaalsContact OG1-CE2 3.3Å; T24-F26 WeakPolarHBondContact OG1-CE2 3.48Å | ||
| 27 | T | 69.8 | Low | 71.5 | Confident | 121 Ų | 121 | 115.1 Ų | 115.1 | 74% | 0.742 | 63% | 0.629 | S | S | * | * | trans | -75.9 | 121.6 | 164.1 | 40.9 | 0 | 0 | 0 | 0 | 108.8 | N25 V29 | N25-T27 PolarHBondContact O-N 3.36Å; T27-V29 PolarHBondContact O-N 3.25Å | ||
| 28 | C | 69.7 | Low | 72.6 | Confident | 126 Ų | 126 | 115.3 Ų | 115.3 | 85% | 0.851 | 63% | 0.625 | S | S | * | * | trans | -69.3 | 98.5 | 170.9 | 47.3 | 0 | 0 | 0 | 0 | 109.1 | A30 | C28-A30 VanDerWaalsContact C-N 3.34Å; C28-A30 PolarHBondContact O-N 2.87Å | ||
| 29 | V | 71.7 | Confident | 74.1 | Confident | 89 Ų | 89 | 113.8 Ų | 113.8 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | trans | -70.6 | 92.9 | 175.5 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | T27 D31 T32 | T27-V29 PolarHBondContact O-N 3.25Å; V29-D31 PolarHBondContact O-N 3.16Å; V29-T32 HydrophobicContact CB-CG2 3.99Å; V29-T32 HydrophobicContact CG1-CG2 3.96Å; V29-T32 PolarHBondContact O-N 3.49Å; V29-T32 PolarHBondContact O-OG1 3.23Å | ||
| 30 | A | 67.8 | Low | 75.5 | Confident | 73 Ų | 73 | 114.9 Ų | 114.9 | 60% | 0.603 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -37.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C28 T32 N35 | C28-A30 VanDerWaalsContact C-N 3.34Å; C28-A30 PolarHBondContact O-N 2.87Å; A30-T32 PolarHBondContact O-N 2.85Å; A30-N35 WeakPolarHBondContact O-CB 3.39Å |
| 31 | D | 75.2 | Confident | 77 | Confident | 109 Ų | 109 | 111 Ų | 111 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 44.5 | -178.2 | -66 | -51.5 | 0 | 0 | 0 | 112.6 | V29 L36 | V29-D31 PolarHBondContact O-N 3.16Å; D31-L36 VanDerWaalsContact CA-CD1 3.47Å; D31-L36 HydrophobicContact CB-CD1 3.65Å |
| 32 | T | 85.3 | Confident | 78.4 | Confident | 47 Ų | 47 | 107.9 Ų | 107.9 | 29% | 0.288 | 58% | 0.579 | S | S | . | * | trans | -64.9 | 149.4 | 163.9 | 37 | 0 | 0 | 0 | 0 | 110.5 | V29 A30 E34 N35 L36 | V29-T32 HydrophobicContact CB-CG2 3.99Å; V29-T32 HydrophobicContact CG1-CG2 3.96Å; V29-T32 PolarHBondContact O-N 3.49Å; V29-T32 PolarHBondContact O-OG1 3.23Å; A30-T32 PolarHBondContact O-N 2.85Å; T32-E34 PolarHBondContact O-N 3.16Å; T32-E34 VanDerWaalsContact O-N 3.14Å; T32-N35 PolarHBondContact O-N 2.94Å; T32-N35 PolarHBondContact OG1-ND2 3.44Å; T32-L36 WeakPolarHBondContact O-CD1 3.34Å; T32-L36 PolarHBondContact O-N 3.47Å | ||
| 33 | P | 85.8 | Confident | 79.2 | Confident | 112 Ų | 112 | 108.6 Ų | 108.6 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.6 | -30.2 | -176.8 | 22.8 | -33.9 | 0 | 0 | 0 | 113 | R37 | P33-R37 WeakPolarHBondContact O-CB 3.46Å; P33-R37 PolarHBondContact O-N 2.98Å |
| 34 | E | 82.8 | Confident | 79.7 | Confident | 122 Ų | 122 | 107.8 Ų | 107.8 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.5 | -45.5 | 171.9 | -176.8 | 174.2 | -148.9 | 0 | 0 | 112.5 | T32 L36 R37 L38 | T32-E34 PolarHBondContact O-N 3.16Å; T32-E34 VanDerWaalsContact O-N 3.14Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 2.99Å; E34-R37 WeakPolarHBondContact O-CB 3.16Å; E34-R37 PolarHBondContact O-N 3.5Å; E34-L38 HydrophobicContact CG-CD1 4.2Å; E34-L38 PolarHBondContact O-N 2.95Å |
| 35 | N | 87.1 | Confident | 80.1 | Confident | 81 Ų | 81 | 110.1 Ų | 110.1 | 43% | 0.433 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -36.7 | 176.2 | -87 | -81.7 | 0 | 0 | 0 | 111.8 | A30 T32 L38 K39 | A30-N35 WeakPolarHBondContact O-CB 3.39Å; T32-N35 PolarHBondContact O-N 2.94Å; T32-N35 PolarHBondContact OG1-ND2 3.44Å; N35-L38 PolarHBondContact O-N 2.94Å; N35-K39 WeakPolarHBondContact O-CB 3.33Å; N35-K39 PolarHBondContact O-N 2.77Å |
| 36 | L | 85.9 | Confident | 80.7 | Confident | 70 Ų | 70 | 104.7 Ų | 104.7 | 37% | 0.366 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -45.4 | 171.5 | -93.3 | 68.2 | 0 | 0 | 0 | 111.6 | D31 T32 E34 K39 Q40 | D31-L36 VanDerWaalsContact CA-CD1 3.47Å; D31-L36 HydrophobicContact CB-CD1 3.65Å; T32-L36 WeakPolarHBondContact O-CD1 3.34Å; T32-L36 PolarHBondContact O-N 3.47Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 2.99Å; L36-K39 PolarHBondContact O-N 2.94Å; L36-Q40 WeakPolarHBondContact O-CG 3.19Å; L36-Q40 PolarHBondContact O-N 3.2Å |
| 37 | R | 89.3 | Confident | 80.7 | Confident | 146 Ų | 146 | 104.2 Ų | 104.2 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63 | -44.7 | 177.8 | -170 | -179.5 | 70 | 123.5 | -0.3 | 111.7 | P33 E34 Q40 Q41 | P33-R37 WeakPolarHBondContact O-CB 3.46Å; P33-R37 PolarHBondContact O-N 2.98Å; E34-R37 WeakPolarHBondContact O-CB 3.16Å; E34-R37 PolarHBondContact O-N 3.5Å; R37-Q40 PolarHBondContact O-N 3.42Å; R37-Q41 WeakPolarHBondContact O-CB 3.45Å; R37-Q41 PolarHBondContact O-N 3.43Å |
| 38 | L | 86.8 | Confident | 80.7 | Confident | 77 Ų | 77 | 104 Ų | 104 | 40% | 0.403 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 173.7 | -99.4 | 63.4 | 0 | 0 | 0 | 111.1 | E34 N35 Q40 Q41 T42 | E34-L38 HydrophobicContact CG-CD1 4.2Å; E34-L38 PolarHBondContact O-N 2.95Å; N35-L38 PolarHBondContact O-N 2.94Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.24Å; L38-Q41 PolarHBondContact O-N 2.77Å; L38-T42 WeakPolarHBondContact O-CB 3.49Å; L38-T42 PolarHBondContact O-N 3.01Å; L38-T42 PolarHBondContact O-OG1 3.1Å |
| 39 | K | 87.7 | Confident | 80.4 | Confident | 120 Ų | 120 | 101.8 Ų | 101.8 | 52% | 0.522 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 178 | -172 | 175.3 | -174.5 | 174.7 | 0 | 112.5 | N35 L36 K43 | N35-K39 WeakPolarHBondContact O-CB 3.33Å; N35-K39 PolarHBondContact O-N 2.77Å; L36-K39 PolarHBondContact O-N 2.94Å; K39-K43 VanDerWaalsContact O-CG 3.28Å; K39-K43 WeakPolarHBondContact O-CG 3.21Å; K39-K43 PolarHBondContact O-N 2.66Å; K39-K43 VanDerWaalsContact O-N 3.12Å |
| 40 | Q | 87.6 | Confident | 80 | Confident | 120 Ų | 120 | 106.7 Ų | 106.7 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.7 | -46.9 | 172.4 | -72.8 | 172.5 | -8.6 | 0 | 0 | 111.6 | L36 R37 L38 K43 M44 | L36-Q40 WeakPolarHBondContact O-CG 3.19Å; L36-Q40 PolarHBondContact O-N 3.2Å; R37-Q40 PolarHBondContact O-N 3.42Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.24Å; Q40-K43 WeakPolarHBondContact O-CB 3.49Å; Q40-K43 PolarHBondContact O-N 3.42Å; Q40-M44 WeakPolarHBondContact O-CG 3.32Å; Q40-M44 PolarHBondContact O-N 2.82Å |
| 41 | Q | 89.3 | Confident | 80.3 | Confident | 76 Ų | 76 | 108.9 Ų | 108.9 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 178.9 | -175 | 173.9 | -17.5 | 0 | 0 | 112.1 | R37 L38 K43 M44 Q45 | R37-Q41 WeakPolarHBondContact O-CB 3.45Å; R37-Q41 PolarHBondContact O-N 3.43Å; L38-Q41 PolarHBondContact O-N 2.77Å; Q41-K43 VanDerWaalsContact C-N 3.35Å; Q41-K43 PolarHBondContact O-N 3.48Å; Q41-M44 PolarHBondContact O-N 3.01Å; Q41-Q45 HydrophobicContact CG-CG 4.38Å; Q41-Q45 WeakPolarHBondContact O-CB 3.27Å; Q41-Q45 WeakPolarHBondContact O-CG 3.46Å; Q41-Q45 PolarHBondContact O-N 2.79Å |
| 42 | T | 87.6 | Confident | 80.4 | Confident | 91 Ų | 91 | 107.1 Ų | 107.1 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.9 | -39.5 | 175.2 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | L38 Q45 S46 | L38-T42 WeakPolarHBondContact O-CB 3.49Å; L38-T42 PolarHBondContact O-N 3.01Å; L38-T42 PolarHBondContact O-OG1 3.1Å; T42-Q45 PolarHBondContact O-N 2.82Å; T42-S46 WeakPolarHBondContact O-CB 3.41Å; T42-S46 PolarHBondContact O-N 2.86Å |
| 43 | K | 83.1 | Confident | 79.5 | Confident | 113 Ų | 113 | 109 Ų | 109 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -50.2 | 172.7 | -78.7 | 176.3 | 174.7 | -163.9 | 0 | 111.5 | K39 Q40 Q41 Q45 S46 | K39-K43 VanDerWaalsContact O-CG 3.28Å; K39-K43 WeakPolarHBondContact O-CG 3.21Å; K39-K43 PolarHBondContact O-N 2.66Å; K39-K43 VanDerWaalsContact O-N 3.12Å; Q40-K43 WeakPolarHBondContact O-CB 3.49Å; Q40-K43 PolarHBondContact O-N 3.42Å; Q41-K43 VanDerWaalsContact C-N 3.35Å; Q41-K43 PolarHBondContact O-N 3.48Å; K43-Q45 VanDerWaalsContact C-N 3.33Å; K43-Q45 PolarHBondContact O-N 2.9Å; K43-S46 PolarHBondContact O-N 3.04Å; K43-S46 PolarHBondContact O-OG 3.4Å |
| 44 | M | 79.1 | Confident | 78.7 | Confident | 154 Ų | 154 | 109.7 Ų | 109.7 | 76% | 0.759 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -34.8 | 179 | -67.9 | -174.8 | -65.1 | 0 | 0 | 113.2 | Q40 Q41 S46 | Q40-M44 WeakPolarHBondContact O-CG 3.32Å; Q40-M44 PolarHBondContact O-N 2.82Å; Q41-M44 PolarHBondContact O-N 3.01Å; M44-S46 VanDerWaalsContact C-N 3.35Å |
| 45 | Q | 76.6 | Confident | 78.3 | Confident | 137 Ų | 137 | 108.9 Ų | 108.9 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -82.9 | -9.1 | 177.9 | -69.4 | -177.2 | -12 | 0 | 0 | 113.5 | Q41 T42 K43 Q47 | Q41-Q45 HydrophobicContact CG-CG 4.38Å; Q41-Q45 WeakPolarHBondContact O-CB 3.27Å; Q41-Q45 WeakPolarHBondContact O-CG 3.46Å; Q41-Q45 PolarHBondContact O-N 2.79Å; T42-Q45 PolarHBondContact O-N 2.82Å; K43-Q45 VanDerWaalsContact C-N 3.33Å; K43-Q45 PolarHBondContact O-N 2.9Å; Q45-Q47 PolarHBondContact O-N 2.85Å |
| 46 | S | 80.7 | Confident | 77.6 | Confident | 35 Ų | 35 | 109.6 Ų | 109.6 | 25% | 0.245 | 52% | 0.517 | C | S | . | . | trans | -74.9 | 120.8 | -176.6 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | T42 K43 M44 V48 H49 Y50 | T42-S46 WeakPolarHBondContact O-CB 3.41Å; T42-S46 PolarHBondContact O-N 2.86Å; K43-S46 PolarHBondContact O-N 3.04Å; K43-S46 PolarHBondContact O-OG 3.4Å; M44-S46 VanDerWaalsContact C-N 3.35Å; S46-V48 PolarHBondContact O-N 3.03Å; S46-V48 VanDerWaalsContact O-N 3.12Å; S46-H49 PolarHBondContact O-N 2.88Å; S46-Y50 PolarHBondContact O-N 3.5Å | ||
| 47 | Q | 65 | Low | 76.8 | Confident | 169 Ų | 169 | 111.1 Ų | 111.1 | 79% | 0.79 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.2 | -19.8 | 175.7 | -62.4 | 179.3 | 16.6 | 0 | 0 | 112.6 | Q45 K51 | Q45-Q47 PolarHBondContact O-N 2.85Å; Q47-K51 WeakPolarHBondContact O-CB 3.5Å; Q47-K51 PolarHBondContact O-N 3.2Å |
| 48 | V | 70.3 | Confident | 75.8 | Confident | 117 Ų | 117 | 111.5 Ų | 111.5 | 71% | 0.709 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68 | -49.4 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | S46 Y50 K51 E52 | S46-V48 PolarHBondContact O-N 3.03Å; S46-V48 VanDerWaalsContact O-N 3.12Å; V48-Y50 VanDerWaalsContact C-N 3.34Å; V48-Y50 PolarHBondContact O-N 3.36Å; V48-K51 PolarHBondContact O-N 3.47Å; V48-E52 WeakPolarHBondContact O-CB 3.33Å; V48-E52 PolarHBondContact O-N 3.29Å |
| 49 | H | 64.3 | Low | 74.7 | Confident | 80 Ų | 80 | 111.5 Ų | 111.5 | 37% | 0.37 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 173.3 | -90.9 | -37 | 0 | 0 | 0 | 111.8 | S46 K51 E52 D53 | S46-H49 PolarHBondContact O-N 2.88Å; H49-K51 VanDerWaalsContact C-N 3.27Å; H49-K51 PolarHBondContact O-N 3.47Å; H49-E52 IonicContact CE1-OE2 2.68Å; H49-E52 PolarHBondContact CE1-OE2 2.98Å; H49-E52 IonicContact CG-OE2 3.92Å; H49-E52 IonicContact ND1-OE2 3.76Å; H49-E52 PolarHBondContact ND1-OE2 2.87Å; H49-E52 WeakPolarHBondContact O-CB 3.49Å; H49-E52 PolarHBondContact O-N 3.36Å; H49-E52 VanDerWaalsContact O-N 3.13Å; H49-D53 PolarHBondContact O-N 3.28Å; H49-D53 VanDerWaalsContact O-N 3.15Å |
| 50 | Y | 63.5 | Low | 73.6 | Confident | 192 Ų | 192 | 112.6 Ų | 112.6 | 75% | 0.753 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.2 | -39.9 | 176 | -175.3 | -97 | 0 | 0 | 0 | 112.4 | S46 V48 F54 | S46-Y50 PolarHBondContact O-N 3.5Å; V48-Y50 VanDerWaalsContact C-N 3.34Å; V48-Y50 PolarHBondContact O-N 3.36Å; Y50-F54 PolarHBondContact O-N 3.17Å |
| 51 | K | 73.6 | Confident | 72.1 | Confident | 118 Ų | 118 | 109.9 Ų | 109.9 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -76.4 | -30.9 | 175.9 | -166.8 | 172.5 | -175 | -101.8 | 0 | 112.8 | Q47 V48 H49 F54 E55 | Q47-K51 WeakPolarHBondContact O-CB 3.5Å; Q47-K51 PolarHBondContact O-N 3.2Å; V48-K51 PolarHBondContact O-N 3.47Å; H49-K51 VanDerWaalsContact C-N 3.27Å; H49-K51 PolarHBondContact O-N 3.47Å; K51-F54 PolarHBondContact O-N 3.04Å; K51-E55 VanDerWaalsContact CE-OE1 3.25Å; K51-E55 WeakPolarHBondContact CE-OE1 3.22Å; K51-E55 HydrophobicContact CG-CG 4.3Å; K51-E55 IonicContact NZ-OE1 3.28Å; K51-E55 PolarHBondContact NZ-OE1 3.18Å; K51-E55 WeakPolarHBondContact O-CB 3.44Å; K51-E55 WeakPolarHBondContact O-CG 3.34Å; K51-E55 PolarHBondContact O-N 3.17Å |
| 52 | E | 77.6 | Confident | 70.3 | Confident | 72 Ų | 72 | 115.2 Ų | 115.2 | 34% | 0.336 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.8 | -46.5 | 177.1 | -169.4 | -165.3 | 161.6 | 0 | 0 | 111.6 | V48 H49 E55 K56 | V48-E52 WeakPolarHBondContact O-CB 3.33Å; V48-E52 PolarHBondContact O-N 3.29Å; H49-E52 IonicContact CE1-OE2 2.68Å; H49-E52 PolarHBondContact CE1-OE2 2.98Å; H49-E52 IonicContact CG-OE2 3.92Å; H49-E52 IonicContact ND1-OE2 3.76Å; H49-E52 PolarHBondContact ND1-OE2 2.87Å; H49-E52 WeakPolarHBondContact O-CB 3.49Å; H49-E52 PolarHBondContact O-N 3.36Å; H49-E52 VanDerWaalsContact O-N 3.13Å; E52-E55 PolarHBondContact O-N 3.31Å; E52-K56 HydrophobicContact CG-CD 4.43Å; E52-K56 WeakPolarHBondContact O-CB 3.26Å; E52-K56 VanDerWaalsContact O-CG 3.27Å; E52-K56 WeakPolarHBondContact O-CG 3.45Å; E52-K56 PolarHBondContact O-N 3.02Å; E52-K56 WeakPolarHBondContact OE1-CE 3.22Å; E52-K56 IonicContact OE1-NZ 2.75Å; E52-K56 PolarHBondContact OE1-NZ 3Å; E52-K56 IonicContact OE2-NZ 2.62Å |
| 53 | D | 66.6 | Low | 68.9 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 47% | 0.465 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.6 | -33.5 | 177.5 | -69.6 | -21.8 | 0 | 0 | 0 | 112.1 | H49 K56 N57 | H49-D53 PolarHBondContact O-N 3.28Å; H49-D53 VanDerWaalsContact O-N 3.15Å; D53-K56 IonicContact OD1-NZ 3.95Å; D53-K56 PolarHBondContact OD1-NZ 3.17Å; D53-K56 VanDerWaalsContact OD1-NZ 3.11Å; D53-N57 WeakPolarHBondContact O-CB 3.46Å; D53-N57 PolarHBondContact O-N 3.18Å |
| 54 | F | 69 | Low | 67.8 | Low | 127 Ų | 127 | 115.2 Ų | 115.2 | 56% | 0.557 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.7 | -46.4 | 168.8 | 179.9 | -104 | 0 | 0 | 0 | 111.7 | Y50 K51 N57 K58 | Y50-F54 PolarHBondContact O-N 3.17Å; K51-F54 PolarHBondContact O-N 3.04Å; F54-N57 CarbonylContact O-C 3.55Å; F54-N57 PolarHBondContact O-N 3.39Å; F54-K58 HydrophobicContact CE1-CD 3.88Å; F54-K58 HydrophobicContact CZ-CD 4.35Å; F54-K58 WeakPolarHBondContact O-CB 3.49Å; F54-K58 PolarHBondContact O-N 3.41Å |
| 55 | E | 73.6 | Confident | 67 | Low | 104 Ų | 104 | 111.9 Ų | 111.9 | 49% | 0.486 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.1 | -38.2 | 179.6 | -75.6 | 177.1 | 177.1 | 0 | 0 | 112.8 | K51 E52 N57 K58 | K51-E55 VanDerWaalsContact CE-OE1 3.25Å; K51-E55 WeakPolarHBondContact CE-OE1 3.22Å; K51-E55 HydrophobicContact CG-CG 4.3Å; K51-E55 IonicContact NZ-OE1 3.28Å; K51-E55 PolarHBondContact NZ-OE1 3.18Å; K51-E55 WeakPolarHBondContact O-CB 3.44Å; K51-E55 WeakPolarHBondContact O-CG 3.34Å; K51-E55 PolarHBondContact O-N 3.17Å; E52-E55 PolarHBondContact O-N 3.31Å; E55-N57 PolarHBondContact O-N 2.94Å; E55-K58 PolarHBondContact O-N 3.37Å |
| 56 | K | 72.9 | Confident | 66.2 | Low | 97 Ų | 97 | 107.7 Ų | 107.7 | 42% | 0.422 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.5 | -26.5 | 171.4 | -76.5 | 169.6 | -172.2 | 154.5 | 0 | 113.3 | E52 D53 K60 | E52-K56 HydrophobicContact CG-CD 4.43Å; E52-K56 WeakPolarHBondContact O-CB 3.26Å; E52-K56 VanDerWaalsContact O-CG 3.27Å; E52-K56 WeakPolarHBondContact O-CG 3.45Å; E52-K56 PolarHBondContact O-N 3.02Å; E52-K56 WeakPolarHBondContact OE1-CE 3.22Å; E52-K56 IonicContact OE1-NZ 2.75Å; E52-K56 PolarHBondContact OE1-NZ 3Å; E52-K56 IonicContact OE2-NZ 2.62Å; D53-K56 IonicContact OD1-NZ 3.95Å; D53-K56 PolarHBondContact OD1-NZ 3.17Å; D53-K56 VanDerWaalsContact OD1-NZ 3.11Å; K56-K60 VanDerWaalsContact O-CD 3.27Å; K56-K60 WeakPolarHBondContact O-CD 3.44Å; K56-K60 WeakPolarHBondContact O-CE 3.25Å; K56-K60 PolarHBondContact O-NZ 3.12Å |
| 57 | N | 68.5 | Low | 65.4 | Low | 101 Ų | 101 | 111.1 Ų | 111.1 | 54% | 0.54 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -103.3 | -18.3 | -178 | -68.4 | 9.7 | 0 | 0 | 0 | 112.3 | D53 F54 E55 G59 K60 | D53-N57 WeakPolarHBondContact O-CB 3.46Å; D53-N57 PolarHBondContact O-N 3.18Å; F54-N57 CarbonylContact O-C 3.55Å; F54-N57 PolarHBondContact O-N 3.39Å; E55-N57 PolarHBondContact O-N 2.94Å; N57-G59 VanDerWaalsContact C-N 3.27Å; N57-G59 PolarHBondContact O-N 3.04Å; N57-K60 PolarHBondContact O-N 2.98Å; N57-K60 VanDerWaalsContact O-N 3.13Å; N57-K60 VanDerWaalsContact O-O 3.1Å |
| 58 | K | 68.6 | Low | 66.1 | Low | 154 Ų | 154 | 105.5 Ų | 105.5 | 67% | 0.67 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 76 | 175.2 | -170.7 | -171.5 | -176.9 | -175.1 | 0 | 111.3 | F54 E55 | F54-K58 HydrophobicContact CE1-CD 3.88Å; F54-K58 HydrophobicContact CZ-CD 4.35Å; F54-K58 WeakPolarHBondContact O-CB 3.49Å; F54-K58 PolarHBondContact O-N 3.41Å; E55-K58 PolarHBondContact O-N 3.37Å |
| 59 | G | 64.3 | Low | 66.7 | Low | 78 Ų | 78 | 104.2 Ų | 104.2 | 80% | 0.804 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.7 | -22.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N57 G61 | N57-G59 VanDerWaalsContact C-N 3.27Å; N57-G59 PolarHBondContact O-N 3.04Å; G59-G61 PolarHBondContact O-N 2.73Å; G59-G61 VanDerWaalsContact O-N 3.14Å |
| 60 | K | 62.9 | Low | 67.3 | Low | 142 Ų | 142 | 106 Ų | 106 | 62% | 0.617 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -75.6 | 97 | 158.4 | -62.1 | 175.7 | -171.4 | 156.1 | 0 | 106.1 | K56 N57 | K56-K60 VanDerWaalsContact O-CD 3.27Å; K56-K60 WeakPolarHBondContact O-CD 3.44Å; K56-K60 WeakPolarHBondContact O-CE 3.25Å; K56-K60 PolarHBondContact O-NZ 3.12Å; N57-K60 PolarHBondContact O-N 2.98Å; N57-K60 VanDerWaalsContact O-N 3.13Å; N57-K60 VanDerWaalsContact O-O 3.1Å |
| 61 | G | 56 | Low | 68.3 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 66% | 0.66 | 55% | 0.545 | S | S | * | . | trans | -50.9 | 155.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G59 S63 | G59-G61 PolarHBondContact O-N 2.73Å; G59-G61 VanDerWaalsContact O-N 3.14Å; G61-S63 VanDerWaalsContact C-N 3.31Å; G61-S63 PolarHBondContact O-N 3.23Å | ||
| 62 | F | 53.2 | Low | 68.7 | Low | 188 Ų | 188 | 97.7 Ų | 97.7 | 83% | 0.825 | 54% | 0.538 | S | S | * | . | trans | -50.8 | 92.3 | -176.3 | -179.3 | -96.7 | 0 | 0 | 0 | 111.1 | V64 | F62-V64 HydrophobicContact CD1-CG2 4.22Å; F62-V64 HydrophobicContact CE1-CG2 4.08Å; F62-V64 PolarHBondContact O-N 2.83Å | ||
| 63 | S | 57 | Low | 69.3 | Low | 90 Ų | 90 | 101.4 Ų | 101.4 | 63% | 0.629 | 55% | 0.549 | S | S | * | . | trans | -73.3 | 103.1 | 173.7 | 179.5 | 0 | 0 | 0 | 0 | 105.2 | G61 V65 | G61-S63 VanDerWaalsContact C-N 3.31Å; G61-S63 PolarHBondContact O-N 3.23Å; S63-V65 PolarHBondContact O-N 2.66Å | ||
| 64 | V | 60.3 | Low | 70.2 | Confident | 114 Ų | 114 | 101.8 Ų | 101.8 | 69% | 0.691 | 55% | 0.55 | S | S | * | * | trans | -44.4 | 115.8 | 169.8 | 173.4 | 0 | 0 | 0 | 0 | 106.6 | F62 A66 | F62-V64 HydrophobicContact CD1-CG2 4.22Å; F62-V64 HydrophobicContact CE1-CG2 4.08Å; F62-V64 PolarHBondContact O-N 2.83Å; V64-A66 PolarHBondContact O-N 2.9Å | ||
| 65 | V | 62 | Low | 71 | Confident | 83 Ų | 83 | 100.3 Ų | 100.3 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | trans | -51.5 | 100.3 | -158.6 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | S63 D67 T68 | S63-V65 PolarHBondContact O-N 2.66Å; V65-D67 PolarHBondContact O-N 2.86Å; V65-T68 HydrophobicContact CB-CG2 3.74Å; V65-T68 HydrophobicContact CG1-CG2 3.83Å; V65-T68 PolarHBondContact O-N 3.22Å | ||
| 66 | A | 60.2 | Low | 71.6 | Confident | 49 Ų | 49 | 101.7 Ų | 101.7 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V64 L71 | V64-A66 PolarHBondContact O-N 2.9Å; A66-L71 WeakPolarHBondContact O-CD2 3.47Å |
| 67 | D | 64.3 | Low | 72.3 | Confident | 108 Ų | 108 | 100.6 Ų | 100.6 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | 42 | -177.5 | -68.9 | -59.6 | 0 | 0 | 0 | 112.2 | V65 Q72 | V65-D67 PolarHBondContact O-N 2.86Å; D67-Q72 PolarHBondContact OD1-NE2 3.01Å |
| 68 | T | 80.3 | Confident | 73.1 | Confident | 50 Ų | 50 | 101.9 Ų | 101.9 | 31% | 0.307 | 55% | 0.552 | S | S | . | * | trans | -60.5 | 140.2 | 160.2 | 68.3 | 0 | 0 | 0 | 0 | 108.2 | V65 E70 L71 Q72 | V65-T68 HydrophobicContact CB-CG2 3.74Å; V65-T68 HydrophobicContact CG1-CG2 3.83Å; V65-T68 PolarHBondContact O-N 3.22Å; T68-E70 PolarHBondContact O-N 2.89Å; T68-L71 PolarHBondContact O-N 3.41Å; T68-L71 VanDerWaalsContact O-N 3.09Å; T68-L71 WeakPolarHBondContact OG1-CB 3.44Å; T68-L71 PolarHBondContact OG1-N 2.79Å; T68-Q72 PolarHBondContact O-N 2.75Å | ||
| 69 | P | 80.9 | Confident | 73.7 | Confident | 90 Ų | 90 | 98 Ų | 98 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.7 | -16.9 | 179 | 25.7 | -34.9 | 0 | 0 | 0 | 112.2 | R73 | P69-R73 WeakPolarHBondContact O-CG 3.42Å; P69-R73 PolarHBondContact O-N 3.49Å; P69-R73 PolarHBondContact O-NE 2.68Å |
| 70 | E | 77.7 | Confident | 74.4 | Confident | 119 Ų | 119 | 100.6 Ų | 100.6 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -77.3 | -49.5 | 171.4 | -176.6 | 165.4 | -145.2 | 0 | 0 | 112.7 | T68 Q72 R73 I74 | T68-E70 PolarHBondContact O-N 2.89Å; E70-Q72 PolarHBondContact O-N 3.45Å; E70-R73 WeakPolarHBondContact O-CA 3.38Å; E70-R73 WeakPolarHBondContact O-CB 3.38Å; E70-R73 PolarHBondContact O-N 2.83Å; E70-I74 HydrophobicContact CG-CD1 4.05Å; E70-I74 WeakPolarHBondContact O-CG1 3.34Å; E70-I74 PolarHBondContact O-N 3.03Å |
| 71 | L | 84.6 | Confident | 75.2 | Confident | 58 Ų | 58 | 99.4 Ų | 99.4 | 30% | 0.304 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 176.7 | -177.2 | 56.9 | 0 | 0 | 0 | 111.7 | A66 T68 I74 K75 | A66-L71 WeakPolarHBondContact O-CD2 3.47Å; T68-L71 PolarHBondContact O-N 3.41Å; T68-L71 VanDerWaalsContact O-N 3.09Å; T68-L71 WeakPolarHBondContact OG1-CB 3.44Å; T68-L71 PolarHBondContact OG1-N 2.79Å; L71-I74 PolarHBondContact O-N 3.45Å; L71-K75 HydrophobicContact CD1-CD 4.49Å; L71-K75 HydrophobicContact CD1-CG 4.39Å; L71-K75 HydrophobicContact CG-CD 4.29Å; L71-K75 WeakPolarHBondContact O-CB 3.49Å; L71-K75 WeakPolarHBondContact O-CG 3.36Å; L71-K75 PolarHBondContact O-N 3.44Å |
| 72 | Q | 82.9 | Confident | 76.2 | Confident | 77 Ų | 77 | 98.3 Ų | 98.3 | 36% | 0.36 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -32.4 | 172 | -69.6 | -171.4 | -7.8 | 0 | 0 | 113.5 | D67 T68 E70 K76 | D67-Q72 PolarHBondContact OD1-NE2 3.01Å; T68-Q72 PolarHBondContact O-N 2.75Å; E70-Q72 PolarHBondContact O-N 3.45Å; Q72-K76 VanDerWaalsContact O-CG 3.27Å; Q72-K76 WeakPolarHBondContact O-CG 3.38Å; Q72-K76 PolarHBondContact O-N 2.96Å |
| 73 | R | 88.6 | Confident | 77.1 | Confident | 150 Ų | 150 | 95.7 Ų | 95.7 | 57% | 0.566 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.5 | -48.4 | 172.2 | -76.8 | -177.3 | -61.8 | -108.7 | 6.1 | 110.7 | P69 E70 K75 K76 T77 | P69-R73 WeakPolarHBondContact O-CG 3.42Å; P69-R73 PolarHBondContact O-N 3.49Å; P69-R73 PolarHBondContact O-NE 2.68Å; E70-R73 WeakPolarHBondContact O-CA 3.38Å; E70-R73 WeakPolarHBondContact O-CB 3.38Å; E70-R73 PolarHBondContact O-N 2.83Å; R73-K75 PolarHBondContact O-N 2.8Å; R73-K76 PolarHBondContact O-N 2.93Å; R73-T77 PolarHBondContact O-N 3.27Å; R73-T77 PolarHBondContact O-OG1 2.87Å |
| 74 | I | 85.7 | Confident | 77.7 | Confident | 95 Ų | 95 | 97.6 Ų | 97.6 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.7 | -49.4 | -179.5 | -65.5 | 165.7 | 0 | 0 | 0 | 110.6 | E70 L71 K76 T77 Q78 | E70-I74 HydrophobicContact CG-CD1 4.05Å; E70-I74 WeakPolarHBondContact O-CG1 3.34Å; E70-I74 PolarHBondContact O-N 3.03Å; L71-I74 PolarHBondContact O-N 3.45Å; I74-K76 PolarHBondContact O-N 2.93Å; I74-T77 PolarHBondContact O-N 2.96Å; I74-Q78 WeakPolarHBondContact O-CB 3.17Å; I74-Q78 PolarHBondContact O-N 3.2Å |
| 75 | K | 86.3 | Confident | 78.2 | Confident | 95 Ų | 95 | 95.4 Ų | 95.4 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 176.5 | -74.1 | 172.6 | 178 | 172.2 | 0 | 112.9 | L71 R73 Q78 D79 | L71-K75 HydrophobicContact CD1-CD 4.49Å; L71-K75 HydrophobicContact CD1-CG 4.39Å; L71-K75 HydrophobicContact CG-CD 4.29Å; L71-K75 WeakPolarHBondContact O-CB 3.49Å; L71-K75 WeakPolarHBondContact O-CG 3.36Å; L71-K75 PolarHBondContact O-N 3.44Å; R73-K75 PolarHBondContact O-N 2.8Å; K75-Q78 PolarHBondContact O-N 3.25Å; K75-D79 WeakPolarHBondContact O-CB 2.86Å; K75-D79 PolarHBondContact O-N 3.21Å |
| 76 | K | 86.8 | Confident | 78.5 | Confident | 134 Ų | 134 | 98.4 Ų | 98.4 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -43.1 | 177.5 | -75.2 | 173.9 | -177.1 | 178.8 | 0 | 112.3 | Q72 R73 I74 D79 Q80 | Q72-K76 VanDerWaalsContact O-CG 3.27Å; Q72-K76 WeakPolarHBondContact O-CG 3.38Å; Q72-K76 PolarHBondContact O-N 2.96Å; R73-K76 PolarHBondContact O-N 2.93Å; I74-K76 PolarHBondContact O-N 2.93Å; K76-D79 WeakPolarHBondContact O-CB 3.21Å; K76-D79 PolarHBondContact O-N 3.4Å; K76-Q80 WeakPolarHBondContact O-CB 3.4Å; K76-Q80 VanDerWaalsContact O-CG 3.26Å; K76-Q80 WeakPolarHBondContact O-CG 3.37Å; K76-Q80 PolarHBondContact O-N 2.97Å; K76-Q80 PolarHBondContact O-OE1 3.4Å |
| 77 | T | 86.8 | Confident | 79.1 | Confident | 73 Ų | 73 | 102 Ų | 102 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 177.2 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | R73 I74 Q80 I81 | R73-T77 PolarHBondContact O-N 3.27Å; R73-T77 PolarHBondContact O-OG1 2.87Å; I74-T77 PolarHBondContact O-N 2.96Å; T77-Q80 PolarHBondContact O-N 3.3Å; T77-I81 HydrophobicContact CG2-CD1 3.68Å; T77-I81 WeakPolarHBondContact O-CD1 3.27Å; T77-I81 VanDerWaalsContact O-CG1 3.25Å; T77-I81 WeakPolarHBondContact O-CG1 3.38Å; T77-I81 PolarHBondContact O-N 2.69Å |
| 78 | Q | 85.6 | Confident | 79.8 | Confident | 129 Ų | 129 | 101.5 Ų | 101.5 | 60% | 0.603 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.3 | -49.3 | 174.8 | -176.6 | 179 | 12.7 | 0 | 0 | 111.6 | I74 K75 Q80 I81 S82 | I74-Q78 WeakPolarHBondContact O-CB 3.17Å; I74-Q78 PolarHBondContact O-N 3.2Å; K75-Q78 PolarHBondContact O-N 3.25Å; Q78-Q80 VanDerWaalsContact C-N 3.31Å; Q78-Q80 PolarHBondContact O-N 2.94Å; Q78-I81 PolarHBondContact O-N 2.77Å; Q78-I81 VanDerWaalsContact O-N 3.17Å; Q78-S82 PolarHBondContact O-N 3.4Å |
| 79 | D | 82.1 | Confident | 79.3 | Confident | 73 Ų | 73 | 102.8 Ų | 102.8 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -53.3 | -47.4 | 174.1 | -85.8 | 3.3 | 0 | 0 | 0 | 111.7 | K75 K76 I81 S82 K85 | K75-D79 WeakPolarHBondContact O-CB 2.86Å; K75-D79 PolarHBondContact O-N 3.21Å; K76-D79 WeakPolarHBondContact O-CB 3.21Å; K76-D79 PolarHBondContact O-N 3.4Å; D79-I81 PolarHBondContact O-N 3.17Å; D79-S82 PolarHBondContact O-N 2.88Å; D79-S82 PolarHBondContact O-OG 2.82Å; D79-K85 HydrophobicContact CB-CD 4.03Å; D79-K85 IonicContact OD1-NZ 2.66Å; D79-K85 IonicContact OD2-NZ 3.04Å; D79-K85 PolarHBondContact OD2-NZ 2.93Å |
| 80 | Q | 78.4 | Confident | 78.9 | Confident | 132 Ų | 132 | 104.3 Ų | 104.3 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.6 | -14.7 | -177.8 | -74.6 | 178.7 | -57.4 | 0 | 0 | 114.8 | K76 T77 Q78 Y86 | K76-Q80 WeakPolarHBondContact O-CB 3.4Å; K76-Q80 VanDerWaalsContact O-CG 3.26Å; K76-Q80 WeakPolarHBondContact O-CG 3.37Å; K76-Q80 PolarHBondContact O-N 2.97Å; K76-Q80 PolarHBondContact O-OE1 3.4Å; T77-Q80 PolarHBondContact O-N 3.3Å; Q78-Q80 VanDerWaalsContact C-N 3.31Å; Q78-Q80 PolarHBondContact O-N 2.94Å; Q80-Y86 WeakPolarHBondContact O-CE2 3.4Å; Q80-Y86 PolarHBondContact O-OH 3.09Å |
| 81 | I | 79.1 | Confident | 78.5 | Confident | 117 Ų | 117 | 102 Ų | 102 | 60% | 0.6 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -104 | -23 | 180 | -66.7 | 169.5 | 0 | 0 | 0 | 111.2 | T77 Q78 D79 N83 | T77-I81 HydrophobicContact CG2-CD1 3.68Å; T77-I81 WeakPolarHBondContact O-CD1 3.27Å; T77-I81 VanDerWaalsContact O-CG1 3.25Å; T77-I81 WeakPolarHBondContact O-CG1 3.38Å; T77-I81 PolarHBondContact O-N 2.69Å; Q78-I81 PolarHBondContact O-N 2.77Å; Q78-I81 VanDerWaalsContact O-N 3.17Å; D79-I81 PolarHBondContact O-N 3.17Å; I81-N83 PolarHBondContact O-N 3.26Å |
| 82 | S | 78.4 | Confident | 78.2 | Confident | 40 Ų | 40 | 105.2 Ų | 105.2 | 28% | 0.28 | 50% | 0.497 | S | S | . | . | trans | -68 | 115.1 | -173.5 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | Q78 D79 I84 K85 Y86 | Q78-S82 PolarHBondContact O-N 3.4Å; D79-S82 PolarHBondContact O-N 2.88Å; D79-S82 PolarHBondContact O-OG 2.82Å; S82-I84 PolarHBondContact O-N 3.11Å; S82-I84 VanDerWaalsContact O-N 3.17Å; S82-K85 PolarHBondContact O-N 2.92Å; S82-K85 VanDerWaalsContact OG-CB 3.22Å; S82-K85 WeakPolarHBondContact OG-CB 3.27Å; S82-Y86 WeakPolarHBondContact O-CD2 3.35Å; S82-Y86 PolarHBondContact O-N 3.38Å | ||
| 83 | N | 70.7 | Confident | 77.5 | Confident | 134 Ų | 134 | 108.8 Ų | 108.8 | 72% | 0.717 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.3 | -29.3 | 179.2 | -73.1 | -17.2 | 0 | 0 | 0 | 113.5 | I81 Y86 H87 | I81-N83 PolarHBondContact O-N 3.26Å; N83-Y86 PolarHBondContact O-N 2.82Å; N83-H87 PolarHBondContact O-N 2.81Å; N83-H87 VanDerWaalsContact O-N 3.16Å |
| 84 | I | 70.6 | Confident | 76.9 | Confident | 129 Ų | 129 | 107.5 Ų | 107.5 | 66% | 0.662 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -50.5 | 178.6 | -53.1 | 177.2 | 0 | 0 | 0 | 109.3 | S82 Y86 H87 E88 | S82-I84 PolarHBondContact O-N 3.11Å; S82-I84 VanDerWaalsContact O-N 3.17Å; I84-Y86 VanDerWaalsContact C-N 3.33Å; I84-Y86 PolarHBondContact O-N 3.31Å; I84-H87 WeakPolarHBondContact O-CA 3.37Å; I84-H87 WeakPolarHBondContact O-CB 3.29Å; I84-H87 PolarHBondContact O-N 3.23Å; I84-E88 WeakPolarHBondContact O-CG 3.44Å; I84-E88 PolarHBondContact O-N 2.83Å |
| 85 | K | 69.8 | Low | 75.8 | Confident | 69 Ų | 69 | 108.4 Ų | 108.4 | 30% | 0.3 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 178.4 | -168.2 | 161.7 | -177.3 | 155.1 | 0 | 113 | D79 S82 H87 E88 D89 | D79-K85 HydrophobicContact CB-CD 4.03Å; D79-K85 IonicContact OD1-NZ 2.66Å; D79-K85 IonicContact OD2-NZ 3.04Å; D79-K85 PolarHBondContact OD2-NZ 2.93Å; S82-K85 PolarHBondContact O-N 2.92Å; S82-K85 VanDerWaalsContact OG-CB 3.22Å; S82-K85 WeakPolarHBondContact OG-CB 3.27Å; K85-H87 VanDerWaalsContact C-N 3.32Å; K85-H87 PolarHBondContact O-N 2.92Å; K85-E88 WeakPolarHBondContact CA-OE1 3.48Å; K85-E88 PolarHBondContact O-N 3.04Å; K85-D89 PolarHBondContact O-N 2.85Å |
| 86 | Y | 68.6 | Low | 74.5 | Confident | 146 Ų | 146 | 107.2 Ų | 107.2 | 57% | 0.573 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.1 | -40.8 | 170.6 | -83.6 | -76.1 | 0 | 0 | 0 | 112.8 | Q80 S82 N83 I84 F90 | Q80-Y86 WeakPolarHBondContact O-CE2 3.4Å; Q80-Y86 PolarHBondContact O-OH 3.09Å; S82-Y86 WeakPolarHBondContact O-CD2 3.35Å; S82-Y86 PolarHBondContact O-N 3.38Å; N83-Y86 PolarHBondContact O-N 2.82Å; I84-Y86 VanDerWaalsContact C-N 3.33Å; I84-Y86 PolarHBondContact O-N 3.31Å; Y86-F90 WeakPolarHBondContact O-CB 3.46Å; Y86-F90 PolarHBondContact O-N 3.03Å |
| 87 | H | 72.2 | Confident | 72.6 | Confident | 125 Ų | 125 | 104.5 Ų | 104.5 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.5 | -38.8 | 178.4 | -120.8 | 79.9 | 0 | 0 | 0 | 112.3 | N83 I84 K85 F90 E91 | N83-H87 PolarHBondContact O-N 2.81Å; N83-H87 VanDerWaalsContact O-N 3.16Å; I84-H87 WeakPolarHBondContact O-CA 3.37Å; I84-H87 WeakPolarHBondContact O-CB 3.29Å; I84-H87 PolarHBondContact O-N 3.23Å; K85-H87 VanDerWaalsContact C-N 3.32Å; K85-H87 PolarHBondContact O-N 2.92Å; H87-F90 PolarHBondContact O-N 3.45Å; H87-E91 PolarHBondContact O-N 2.8Å |
| 88 | E | 79.1 | Confident | 70.7 | Confident | 97 Ų | 97 | 109.1 Ų | 109.1 | 45% | 0.453 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -57.9 | -49.4 | 173.3 | -67.6 | 169.7 | -121.2 | 0 | 0 | 111.9 | I84 K85 K92 | I84-E88 WeakPolarHBondContact O-CG 3.44Å; I84-E88 PolarHBondContact O-N 2.83Å; K85-E88 WeakPolarHBondContact CA-OE1 3.48Å; K85-E88 PolarHBondContact O-N 3.04Å; E88-K92 WeakPolarHBondContact O-CG 3.2Å; E88-K92 PolarHBondContact O-N 3.03Å |
| 89 | D | 69.8 | Low | 68.7 | Low | 77 Ų | 77 | 107 Ų | 107 | 41% | 0.412 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.8 | -28.3 | -178.1 | -71.7 | -20.6 | 0 | 0 | 0 | 112 | K85 K92 M93 | K85-D89 PolarHBondContact O-N 2.85Å; D89-K92 IonicContact OD1-NZ 3.67Å; D89-K92 PolarHBondContact OD1-NZ 3.47Å; D89-M93 WeakPolarHBondContact O-CB 3.27Å; D89-M93 PolarHBondContact O-N 2.59Å |
| 90 | F | 73.7 | Confident | 67.9 | Low | 121 Ų | 121 | 109.2 Ų | 109.2 | 53% | 0.531 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.3 | -48.5 | 169.9 | 178.5 | -100.7 | 0 | 0 | 0 | 112.3 | Y86 H87 K92 M93 K94 | Y86-F90 WeakPolarHBondContact O-CB 3.46Å; Y86-F90 PolarHBondContact O-N 3.03Å; H87-F90 PolarHBondContact O-N 3.45Å; F90-K92 VanDerWaalsContact C-N 3.33Å; F90-K92 PolarHBondContact O-N 3.21Å; F90-M93 PolarHBondContact O-N 3Å; F90-K94 HydrophobicContact CE1-CD 4.39Å; F90-K94 WeakPolarHBondContact O-CB 3.46Å; F90-K94 PolarHBondContact O-N 2.81Å |
| 91 | E | 69.3 | Low | 65.8 | Low | 72 Ų | 72 | 112.7 Ų | 112.7 | 34% | 0.336 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.1 | -31.5 | 177.1 | -70.3 | -64.8 | 122 | 0 | 0 | 111.9 | H87 K94 T95 | H87-E91 PolarHBondContact O-N 2.8Å; E91-K94 WeakPolarHBondContact OE1-CD 3.44Å; E91-K94 IonicContact OE1-NZ 3.03Å; E91-K94 PolarHBondContact OE1-NZ 2.99Å; E91-K94 IonicContact OE2-NZ 2.68Å; E91-K94 PolarHBondContact OE2-NZ 3.06Å; E91-T95 WeakPolarHBondContact O-CB 3.44Å; E91-T95 WeakPolarHBondContact O-CG2 3.37Å; E91-T95 PolarHBondContact O-N 2.88Å; E91-T95 PolarHBondContact O-OG1 3.46Å |
| 92 | K | 77.3 | Confident | 64.3 | Low | 124 Ų | 124 | 116 Ų | 116 | 54% | 0.539 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.9 | -43.5 | 167.8 | -78.3 | 173.9 | -165.8 | 149.9 | 0 | 112.9 | E88 D89 F90 K94 T95 G96 | E88-K92 WeakPolarHBondContact O-CG 3.2Å; E88-K92 PolarHBondContact O-N 3.03Å; D89-K92 IonicContact OD1-NZ 3.67Å; D89-K92 PolarHBondContact OD1-NZ 3.47Å; F90-K92 VanDerWaalsContact C-N 3.33Å; F90-K92 PolarHBondContact O-N 3.21Å; K92-K94 VanDerWaalsContact C-N 3.35Å; K92-T95 WeakPolarHBondContact CA-OG1 3.4Å; K92-T95 PolarHBondContact O-N 2.86Å; K92-T95 PolarHBondContact O-OG1 3.26Å; K92-T95 VanDerWaalsContact O-OG1 3.12Å; K92-G96 PolarHBondContact O-N 2.69Å |
| 93 | M | 69.1 | Low | 62.7 | Low | 152 Ų | 152 | 118.3 Ų | 118.3 | 75% | 0.749 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.9 | -41.8 | 177.9 | -173.4 | 119.7 | 70 | 0 | 0 | 111.2 | D89 F90 G96 | D89-M93 WeakPolarHBondContact O-CB 3.27Å; D89-M93 PolarHBondContact O-N 2.59Å; F90-M93 PolarHBondContact O-N 3Å; M93-G96 PolarHBondContact O-N 3.36Å |
| 94 | K | 75.4 | Confident | 60.7 | Low | 123 Ų | 123 | 117.4 Ų | 117.4 | 54% | 0.535 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.4 | -35.3 | 177.1 | 179.6 | -172.2 | 173.7 | -162.1 | 0 | 113.4 | F90 E91 K92 G96 | F90-K94 HydrophobicContact CE1-CD 4.39Å; F90-K94 WeakPolarHBondContact O-CB 3.46Å; F90-K94 PolarHBondContact O-N 2.81Å; E91-K94 WeakPolarHBondContact OE1-CD 3.44Å; E91-K94 IonicContact OE1-NZ 3.03Å; E91-K94 PolarHBondContact OE1-NZ 2.99Å; E91-K94 IonicContact OE2-NZ 2.68Å; E91-K94 PolarHBondContact OE2-NZ 3.06Å; K92-K94 VanDerWaalsContact C-N 3.35Å; K94-G96 VanDerWaalsContact C-N 3.29Å |
| 95 | T | 63.9 | Low | 59.6 | Low | 115 Ų | 115 | 118.1 Ų | 118.1 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -79.6 | -8.9 | 175.7 | 47 | 0 | 0 | 0 | 0 | 113.8 | E91 K92 | E91-T95 WeakPolarHBondContact O-CB 3.44Å; E91-T95 WeakPolarHBondContact O-CG2 3.37Å; E91-T95 PolarHBondContact O-N 2.88Å; E91-T95 PolarHBondContact O-OG1 3.46Å; K92-T95 WeakPolarHBondContact CA-OG1 3.4Å; K92-T95 PolarHBondContact O-N 2.86Å; K92-T95 PolarHBondContact O-OG1 3.26Å; K92-T95 VanDerWaalsContact O-OG1 3.12Å |
| 96 | G | 58.1 | Low | 58 | Low | 70 Ų | 70 | 120.8 Ų | 120.8 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 0.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K92 M93 K94 | K92-G96 PolarHBondContact O-N 2.69Å; M93-G96 PolarHBondContact O-N 3.36Å; K94-G96 VanDerWaalsContact C-N 3.29Å |
| 97 | A | 47.6 | Very low | 56.2 | Low | 77 Ų | 77 | 120.2 Ų | 120.2 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | trans | -121.6 | 118.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 98 | D | 45.7 | Very low | 54.1 | Low | 170 Ų | 170 | 123.5 Ų | 123.5 | 91% | 0.909 | 68% | 0.679 | S | S | * | * | trans | -75.9 | 154 | 172.6 | -147.5 | -25.9 | 0 | 0 | 0 | 111.1 | ||||
| 99 | A | 43 | Very low | 51.6 | Low | 83 Ų | 83 | 121.9 Ų | 121.9 | 69% | 0.686 | 69% | 0.688 | S | S | * | * | trans | -92.5 | -164 | -160 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 100 | P | 65.4 | Low | 49.5 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | cis | -136 | 165.1 | -16.6 | 39.6 | -23.4 | 0 | 0 | 0 | 115.5 | ||||
| 101 | Y | 34.5 | Very low | 47.3 | Very low | 205 Ų | 205 | 128.1 Ų | 128.1 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | -159.9 | 133.6 | 155.4 | -161.8 | -108.8 | 0 | 0 | 0 | 115.6 | P103 | Y101-P103 VanDerWaalsContact CZ-CD 3.43Å; Y101-P103 WeakPolarHBondContact OH-CD 3.45Å | ||
| 102 | Q | 48.1 | Very low | 45.5 | Very low | 187 Ų | 187 | 134 Ų | 134 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -146 | 136.8 | 156 | -74.3 | -157 | -10.3 | 0 | 0 | 108.1 | ||||
| 103 | P | 44.5 | Very low | 43.6 | Very low | 89 Ų | 89 | 137 Ų | 137 | 58% | 0.578 | 76% | 0.763 | S | S | * | * | -144.1 | -174.6 | 96.2 | 43 | -28.8 | 0 | 0 | 0 | 111.5 | Y101 | Y101-P103 VanDerWaalsContact CZ-CD 3.43Å; Y101-P103 WeakPolarHBondContact OH-CD 3.45Å | |||
| 104 | S | 29.9 | Very low | 41.7 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | cis | -155.3 | 175.2 | -4.8 | 23.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 105 | N | 46.6 | Very low | 39.5 | Very low | 144 Ų | 144 | 134 Ų | 134 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -136.8 | 126.3 | 174.6 | -179 | 15.4 | 0 | 0 | 0 | 112.6 | ||||
| 106 | P | 35.5 | Very low | 37.8 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -113.4 | 113.5 | 157.1 | 25.5 | -8 | 0 | 0 | 0 | 112.3 | ||||
| 107 | N | 32.3 | Very low | 37.2 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -57.5 | 138.2 | 179 | 177.6 | 17.7 | 0 | 0 | 0 | 116.1 | ||||
| 108 | Q | 28.1 | Very low | 36.5 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | -172.7 | 127.5 | 127.2 | -105.5 | 176.5 | 53.9 | 0 | 0 | 113.8 | |||||
| 109 | G | 26.2 | Very low | 35.7 | Very low | 63 Ų | 63 | 138.5 Ų | 138.5 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | 128 | 77.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 110 | S | 24.8 | Very low | 35.1 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | 66.2 | 135.2 | 165.1 | -53.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 111 | Y | 28 | Very low | 33.9 | Very low | 226 Ų | 226 | 146.9 Ų | 146.9 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | cis | -136.5 | 160.5 | 31.2 | -67.9 | -93.1 | 0 | 0 | 0 | 113.2 | ||||
| 112 | Q | 30.9 | Very low | 34.3 | Very low | 197 Ų | 197 | 145.7 Ų | 145.7 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -82 | 144.6 | 178 | -83.8 | 163.4 | -33.6 | 0 | 0 | 113.1 | ||||
| 113 | Q | 37 | Very low | 33.6 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -98.5 | 146.5 | 170.9 | -60.5 | 170.9 | -6.8 | 0 | 0 | 110.6 | ||||
| 114 | P | 30.8 | Very low | 33.3 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -100.6 | 115.9 | 144.1 | 28.6 | -16.3 | 0 | 0 | 0 | 108.5 | ||||
| 115 | A | 29.4 | Very low | 33.9 | Very low | 93 Ų | 93 | 153.2 Ų | 153.2 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | 84.4 | 136.5 | 68.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 116 | A | 27.2 | Very low | 33.4 | Very low | 100 Ų | 100 | 152.4 Ų | 152.4 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | 75.1 | 103.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 117 | S | 46.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -68.8 | 128.8 | 158.6 | 50.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 118 | Q | 32.5 | Very low | 34.2 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | -140.3 | 130.9 | 158.8 | -74.4 | -167 | -22.2 | 0 | 0 | 111 | ||||
| 119 | D | 28.2 | Very low | 35 | Very low | 129 Ų | 129 | 150.8 Ų | 150.8 | 69% | 0.69 | 81% | 0.807 | S | S | * | * | trans | 47 | 128.1 | 147.6 | -146.5 | 5 | 0 | 0 | 0 | 120.6 | H121 | D119-H121 PolarHBondContact O-N 3.17Š| ||
| 120 | Y | 30.1 | Very low | 35.8 | Very low | 223 Ų | 223 | 154.4 Ų | 154.4 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -100.7 | 37.5 | -171.7 | -22.5 | -86 | 0 | 0 | 0 | 112.3 | ||
| 121 | H | 41.6 | Very low | 36.8 | Very low | 156 Ų | 156 | 160.9 Ų | 160.9 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -129.3 | 143 | 170.1 | -90.8 | 34.1 | 0 | 0 | 0 | 109.5 | D119 | D119-H121 PolarHBondContact O-N 3.17Š|
| 122 | Q | 41.3 | Very low | 37.4 | Very low | 179 Ų | 179 | 158.3 Ų | 158.3 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | 60.1 | 92.5 | -176.7 | -112.6 | 72.9 | 30.6 | 0 | 0 | 116.6 | ||||
| 123 | R | 34.4 | Very low | 38 | Very low | 246 Ų | 246 | 152.7 Ų | 152.7 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | trans | -142.4 | 115.7 | 140.6 | -69 | -163.6 | -175.2 | -138.5 | -1.8 | 109.8 | ||||
| 124 | E | 38.4 | Very low | 38.1 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -63.6 | 148.8 | 159.6 | -68 | -174.2 | 122.9 | 0 | 0 | 109.4 | T126 | E124-T126 PolarHBondContact O-N 3Å; E124-T126 VanDerWaalsContact O-N 3.14Å | ||
| 125 | P | 41.6 | Very low | 38.6 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -68 | 111.2 | 170.2 | 28.6 | -32.2 | 0 | 0 | 0 | 109.4 | ||||
| 126 | T | 36.9 | Very low | 39.6 | Very low | 126 Ų | 126 | 148.4 Ų | 148.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -55.4 | 131.3 | 168.4 | -35.6 | 0 | 0 | 0 | 0 | 108.8 | E124 E128 | E124-T126 PolarHBondContact O-N 3Å; E124-T126 VanDerWaalsContact O-N 3.14Å; T126-E128 PolarHBondContact O-N 2.96Å | ||
| 127 | P | 44.1 | Very low | 40.6 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -67.9 | 108.3 | -177 | 25.6 | -33.9 | 0 | 0 | 0 | 110.8 | ||||
| 128 | E | 39.4 | Very low | 40.6 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -65.6 | 148.1 | 162 | -74.7 | -161 | 157 | 0 | 0 | 109.8 | T126 V130 | T126-E128 PolarHBondContact O-N 2.96Å; E128-V130 PolarHBondContact O-N 2.87Å | ||
| 129 | P | 46.2 | Very low | 41.5 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | trans | -67.6 | 104.5 | -174.4 | 27.8 | -34.4 | 0 | 0 | 0 | 110 | R131 | P129-R131 PolarHBondContact O-N 3.18Å; P129-R131 VanDerWaalsContact O-N 3.11Å | ||
| 130 | V | 43.3 | Very low | 42.6 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -51 | 120 | 169.7 | -110.3 | 0 | 0 | 0 | 0 | 108.4 | E128 E132 | E128-V130 PolarHBondContact O-N 2.87Å; V130-E132 PolarHBondContact O-N 3.45Å | ||
| 131 | R | 45.1 | Very low | 44.2 | Very low | 238 Ų | 238 | 139 Ų | 139 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | -52.4 | 126.2 | 165.8 | -70.9 | 178 | 172 | -175.5 | -2.7 | 107.2 | P129 A133 | P129-R131 PolarHBondContact O-N 3.18Å; P129-R131 VanDerWaalsContact O-N 3.11Å; R131-A133 PolarHBondContact O-N 3.14Å | ||
| 132 | E | 39.4 | Very low | 45.8 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -54.3 | 104.6 | 178.7 | -74.2 | 173.8 | 111.1 | 0 | 0 | 110.1 | V130 | V130-E132 PolarHBondContact O-N 3.45Š| ||
| 133 | A | 44.4 | Very low | 47.9 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 66% | 0.661 | 73% | 0.726 | S | S | * | * | trans | -51.1 | 141.6 | 149 | 0 | 0 | 0 | 0 | 0 | 107 | R131 A135 | R131-A133 PolarHBondContact O-N 3.14Å; A133-A135 PolarHBondContact O-N 2.85Å | ||
| 134 | P | 38.3 | Very low | 50.7 | Low | 124 Ų | 124 | 125 Ų | 125 | 81% | 0.805 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -50.6 | 115.2 | -161.9 | 21.3 | -34.6 | 0 | 0 | 0 | 110.1 | N136 | P134-N136 PolarHBondContact O-N 3.03Š|
| 135 | A | 42.6 | Very low | 53.3 | Low | 66 Ų | 66 | 121.6 Ų | 121.6 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | trans | -48.5 | 103 | -166.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A133 R137 | A133-A135 PolarHBondContact O-N 2.85Å; A135-R137 VanDerWaalsContact C-N 3.29Å; A135-R137 PolarHBondContact O-N 3.36Å | ||
| 136 | N | 50.1 | Low | 55.6 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | trans | -65.5 | 102.8 | 167.7 | -149.9 | 17.3 | 0 | 0 | 0 | 103.5 | P134 Q170 | P134-N136 PolarHBondContact O-N 3.03Å; N136-Q170 PolarHBondContact ND2-OE1 3.12Å | ||
| 137 | R | 47.6 | Very low | 58.3 | Low | 221 Ų | 221 | 111.6 Ų | 111.6 | 83% | 0.834 | 60% | 0.602 | S | S | * | * | trans | -49.5 | 136.6 | -163.6 | -63.9 | 175 | -177.9 | -140.8 | -2.1 | 108.3 | A135 S139 | A135-R137 VanDerWaalsContact C-N 3.29Å; A135-R137 PolarHBondContact O-N 3.36Å; R137-S139 PolarHBondContact O-N 2.9Å | ||
| 138 | P | 46.3 | Very low | 60 | Low | 103 Ų | 103 | 112.4 Ų | 112.4 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | trans | -53.9 | 116.2 | 175.2 | 24 | -33.3 | 0 | 0 | 0 | 107.3 | S140 | P138-S140 PolarHBondContact O-N 3.47Å; P138-S140 PolarHBondContact O-OG 3.3Å | ||
| 139 | S | 51.9 | Low | 62.2 | Low | 50 Ų | 50 | 109.1 Ų | 109.1 | 35% | 0.35 | 58% | 0.578 | S | S | . | * | trans | -74.3 | 61.6 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | R137 G141 R142 | R137-S139 PolarHBondContact O-N 2.9Å; S139-G141 PolarHBondContact O-N 2.96Å; S139-R142 PolarHBondContact O-N 3.11Å; S139-R142 WeakPolarHBondContact OG-CD 3.21Å; S139-R142 WeakPolarHBondContact OG-CG 3.42Å | ||
| 140 | S | 52.2 | Low | 63.9 | Low | 113 Ų | 113 | 105 Ų | 105 | 79% | 0.79 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 50.8 | -163.1 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | P138 | P138-S140 PolarHBondContact O-N 3.47Å; P138-S140 PolarHBondContact O-OG 3.3Å |
| 141 | G | 63 | Low | 66 | Low | 64 Ų | 64 | 104 Ų | 104 | 66% | 0.66 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -177.5 | -21.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S139 R143 | S139-G141 PolarHBondContact O-N 2.96Å; G141-R143 PolarHBondContact O-N 3.26Å |
| 142 | R | 75.4 | Confident | 67.8 | Low | 133 Ų | 133 | 94.4 Ų | 94.4 | 50% | 0.502 | 51% | 0.512 | S | S | . | . | trans | -87.1 | 106.1 | 176.1 | -62.6 | -173.5 | 178.1 | -151.6 | 0.2 | 109.9 | S139 Y144 E197 | S139-R142 PolarHBondContact O-N 3.11Å; S139-R142 WeakPolarHBondContact OG-CD 3.21Å; S139-R142 WeakPolarHBondContact OG-CG 3.42Å; R142-Y144 HydrophobicContact CB-CE2 3.84Å; R142-E197 WeakPolarHBondContact CD-OE1 3.22Å; R142-E197 WeakPolarHBondContact CG-OE1 3.44Å; R142-E197 IonicContact CZ-OE1 3.54Å; R142-E197 IonicContact NE-OE1 3.36Å; R142-E197 PolarHBondContact NE-OE1 3.19Å; R142-E197 IonicContact NH1-OE1 2.77Å; R142-E197 PolarHBondContact NH1-OE1 3.13Å; R142-E197 IonicContact NH1-OE2 2.69Å | ||
| 143 | R | 86.2 | Confident | 69.5 | Low | 135 Ų | 135 | 90.3 Ų | 90.3 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | trans | -102.1 | 142.2 | 171.2 | -61.1 | -177.4 | -179.1 | -152.9 | -4.3 | 107.6 | G141 M165 F198 | G141-R143 PolarHBondContact O-N 3.26Å; R143-M165 HydrophobicContact CB-CE 3.83Å; R143-F198 PolarHBondContact O-N 3.49Å | ||
| 144 | Y | 92.2 | Very high | 71.1 | Confident | 21 Ų | 21 | 91.6 Ų | 91.6 | 8% | 0.082 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 150.2 | 174.4 | -63.5 | -102.9 | 0 | 0 | 0 | 108.5 | R142 M165 I166 V169 M177 V195 D196 E197 | R142-Y144 HydrophobicContact CB-CE2 3.84Å; Y144-M165 WeakPolarHBondContact O-CA 3.25Å; Y144-I166 PolarHBondContact N-O 2.85Å; Y144-I166 PolarHBondContact O-N 3.14Å; Y144-V169 HydrophobicContact CD2-CB 3.7Å; Y144-V169 HydrophobicContact CD2-CG1 3.91Å; Y144-V169 HydrophobicContact CD2-CG2 3.53Å; Y144-V169 HydrophobicContact CE2-CB 3.72Å; Y144-V169 HydrophobicContact CE2-CG1 3.84Å; Y144-V169 HydrophobicContact CE2-CG2 4.1Å; Y144-V169 HydrophobicContact CG-CG2 4.38Å; Y144-M177 HydrophobicContact CD1-CE 4.38Å; Y144-M177 HydrophobicContact CE1-CE 3.81Å; Y144-M177 HydrophobicContact CE2-CE 4.3Å; Y144-V195 HydrophobicContact CD1-CG2 4.29Å; Y144-D196 CarbonylContact C-O 3.46Å; Y144-D196 WeakPolarHBondContact CA-O 3.3Å; Y144-E197 HydrophobicContact CD1-CB 3.83Å; Y144-E197 HydrophobicContact CD1-CG 4.28Å; Y144-E197 HydrophobicContact CE1-CB 3.47Å; Y144-E197 VanDerWaalsContact CE1-CB 3.47Å; Y144-E197 HydrophobicContact CE1-CG 3.71Å; Y144-E197 HydrophobicContact CE2-CG 4.4Å; Y144-E197 VanDerWaalsContact OH-CD 3.22Å; Y144-E197 PolarHBondContact OH-OE2 2.83Å |
| 145 | R | 93.3 | Very high | 73 | Confident | 106 Ų | 106 | 93.9 Ų | 93.9 | 40% | 0.4 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.8 | 174.3 | -172.4 | -176.1 | 63.3 | -151.3 | -7.8 | 108.7 | D164 M165 V195 D196 | R145-D164 CarbonylContact C-O 3.56Å; R145-D164 WeakPolarHBondContact CA-O 3.45Å; R145-M165 HydrophobicContact CB-SD 4.1Å; R145-M165 HydrophobicContact CG-SD 4.07Å; R145-V195 WeakPolarHBondContact O-CA 3.39Å; R145-D196 PolarHBondContact N-O 3.01Å; R145-D196 PolarHBondContact O-N 2.84Å |
| 146 | A | 90.6 | Very high | 75 | Confident | 0 Ų | 0 | 95 Ų | 95 | 0% | 0 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 137.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F160 L161 G163 D164 Y194 | A146-F160 HydrophobicContact CB-CD2 3.42Å; A146-F160 VanDerWaalsContact CB-CD2 3.42Å; A146-F160 HydrophobicContact CB-CE2 3.77Å; A146-F160 HydrophobicContact CB-CG 4.43Å; A146-L161 WeakPolarHBondContact CB-O 3.37Å; A146-G163 PolarHBondContact O-N 3.34Å; A146-D164 HydrophobicContact CB-CB 4.25Å; A146-D164 PolarHBondContact N-O 3.42Å; A146-Y194 WeakPolarHBondContact CA-O 3.38Å |
| 147 | V | 92 | Very high | 76.9 | Confident | 42 Ų | 42 | 91 Ų | 91 | 26% | 0.255 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -105.3 | -14.1 | 178.3 | -169.5 | 0 | 0 | 0 | 0 | 111 | D162 Y194 D196 | V147-D162 VanDerWaalsContact C-OD1 3.29Å; V147-Y194 PolarHBondContact N-O 2.93Å; V147-D196 HydrophobicContact CG2-CB 3.93Å; V147-D196 WeakPolarHBondContact CG2-OD2 3.31Å |
| 148 | Y | 80.9 | Confident | 78.9 | Confident | 139 Ų | 139 | 80.5 Ų | 80.5 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -147.6 | 154.2 | -177.7 | -55.4 | -65.6 | 0 | 0 | 0 | 110.2 | F160 Y194 | Y148-F160 WeakPolarHBondContact O-CE2 3.35Å; Y148-Y194 HydrophobicContact CD2-CD1 4.3Å; Y148-Y194 HydrophobicContact CD2-CG 4.47Å |
| 149 | D | 85.6 | Confident | 81 | Confident | 105 Ų | 105 | 77.7 Ų | 77.7 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | trans | -65.7 | 140.4 | 168.3 | -58.9 | -32.7 | 0 | 0 | 0 | 110.9 | L161 D162 | D149-L161 HydrophobicContact CB-CD2 4.31Å; D149-L161 WeakPolarHBondContact OD1-CA 3.38Å; D149-L161 WeakPolarHBondContact OD1-CD2 3.29Å; D149-D162 PolarHBondContact OD1-N 3.29Å | ||
| 150 | Y | 81.9 | Confident | 82.9 | Confident | 38 Ų | 38 | 75.5 Ų | 75.5 | 15% | 0.149 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -138.2 | 131.9 | 174.5 | -173 | -101.8 | 0 | 0 | 0 | 111.3 | E157 V158 S159 F160 P191 Y194 | Y150-E157 WeakPolarHBondContact CE1-OE2 3.44Å; Y150-E157 VanDerWaalsContact OH-CD 3.31Å; Y150-E157 PolarHBondContact OH-OE1 3.03Å; Y150-E157 PolarHBondContact OH-OE2 3.04Å; Y150-V158 WeakPolarHBondContact CD1-O 3.46Å; Y150-S159 CarbonylContact O-C 3.56Å; Y150-S159 VanDerWaalsContact O-CA 3.29Å; Y150-S159 WeakPolarHBondContact O-CA 3.45Å; Y150-F160 HydrophobicContact CD1-CD1 4.33Å; Y150-F160 AromaticContact CD1-CE1 3.71Å; Y150-F160 HydrophobicContact CD1-CE1 3.71Å; Y150-F160 HydrophobicContact CD1-CZ 4.2Å; Y150-F160 AromaticContact CG-CE1 3.89Å; Y150-F160 HydrophobicContact CG-CE1 3.89Å; Y150-F160 AromaticContact CG-CZ 3.9Å; Y150-F160 HydrophobicContact CG-CZ 3.9Å; Y150-F160 PolarHBondContact N-O 3.44Å; Y150-F160 PolarHBondContact O-N 3.43Å; Y150-P191 HydrophobicContact CD2-CG 3.78Å; Y150-P191 HydrophobicContact CE1-CG 4.48Å; Y150-P191 HydrophobicContact CE2-CG 3.73Å; Y150-P191 HydrophobicContact CG-CG 4.19Å; Y150-Y194 HydrophobicContact CD2-CD1 4.17Å; Y150-Y194 HydrophobicContact CD2-CE1 4.08Å |
| 151 | T | 86.1 | Confident | 84.4 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 71% | 0.712 | 40% | 0.395 | S | S | * | . | trans | -108.2 | 123.6 | 173.5 | 54.8 | 0 | 0 | 0 | 0 | 109.1 | A153 | T151-A153 PolarHBondContact O-N 2.78Š| ||
| 152 | A | 83.8 | Confident | 85.7 | Confident | 36 Ų | 36 | 76 Ų | 76 | 30% | 0.298 | 39% | 0.389 | S | S | . | . | trans | -53.2 | 133.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E157 S159 | A152-E157 HydrophobicContact CB-CB 3.7Å; A152-S159 WeakPolarHBondContact CB-OG 3.33Å; A152-S159 PolarHBondContact N-OG 3.39Å | ||
| 153 | A | 76 | Confident | 86.3 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 71% | 0.711 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -93.2 | -22.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T151 E157 | T151-A153 PolarHBondContact O-N 2.78Å; A153-E157 PolarHBondContact N-OE2 3.37Å |
| 154 | D | 76.5 | Confident | 86.6 | Confident | 108 Ų | 108 | 65.7 Ų | 65.7 | 58% | 0.578 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -142 | 168.7 | -178.4 | -150.2 | -28 | 0 | 0 | 0 | 110.4 | D156 E157 | D154-D156 PolarHBondContact O-N 3.2Å; D154-E157 PolarHBondContact O-N 3Å |
| 155 | D | 79.4 | Confident | 86.5 | Confident | 172 Ų | 172 | 67.1 Ų | 67.1 | 92% | 0.92 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.3 | -172.6 | -75.3 | -23.7 | 0 | 0 | 0 | 114 | ||
| 156 | D | 84.9 | Confident | 86.5 | Confident | 89 Ų | 89 | 62 Ų | 62 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -5.4 | 176.5 | 69.3 | -21.4 | 0 | 0 | 0 | 114.2 | D154 G188 M189 | D154-D156 PolarHBondContact O-N 3.2Å; D156-G188 CarbonylContact O-C 3.57Å; D156-G188 WeakPolarHBondContact O-CA 3.36Å; D156-M189 PolarHBondContact O-N 3.37Å |
| 157 | E | 89.7 | Confident | 86.5 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -91.3 | 160.1 | 176 | -69.4 | -173.3 | -175.5 | 0 | 0 | 113.3 | Y150 A152 A153 D154 W176 M189 | Y150-E157 WeakPolarHBondContact CE1-OE2 3.44Å; Y150-E157 VanDerWaalsContact OH-CD 3.31Å; Y150-E157 PolarHBondContact OH-OE1 3.03Å; Y150-E157 PolarHBondContact OH-OE2 3.04Å; A152-E157 HydrophobicContact CB-CB 3.7Å; A153-E157 PolarHBondContact N-OE2 3.37Å; D154-E157 PolarHBondContact O-N 3Å; E157-W176 HydrophobicContact CG-CZ3 4.41Å; E157-W176 VanDerWaalsContact OE1-CH2 3.25Å; E157-W176 WeakPolarHBondContact OE1-CH2 3.41Å; E157-M189 CarbonylContact C-O 3.6Å; E157-M189 VanDerWaalsContact CA-O 3.29Å; E157-M189 WeakPolarHBondContact CA-O 3.32Å; E157-M189 HydrophobicContact CG-CB 4.25Å |
| 158 | V | 89.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | trans | -117.3 | 132.6 | 177.8 | 66.1 | 0 | 0 | 0 | 0 | 113 | Y150 F160 V181 Q186 M189 L190 | Y150-V158 WeakPolarHBondContact CD1-O 3.46Å; V158-F160 HydrophobicContact CG1-CD1 4.46Å; V158-F160 WeakPolarHBondContact O-CD1 3.2Å; V158-V181 HydrophobicContact CG1-CG2 4.31Å; V158-V181 HydrophobicContact CG2-CB 4.4Å; V158-V181 HydrophobicContact CG2-CG2 3.53Å; V158-Q186 HydrophobicContact CG2-CB 3.71Å; V158-M189 PolarHBondContact N-O 2.81Å; V158-L190 HydrophobicContact CG1-CB 4.05Å; V158-L190 HydrophobicContact CG1-CD2 3.95Å | ||
| 159 | S | 90.3 | Very high | 86.7 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | trans | -87.1 | 135.2 | 175.4 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | Y150 A152 | Y150-S159 CarbonylContact O-C 3.56Å; Y150-S159 VanDerWaalsContact O-CA 3.29Å; Y150-S159 WeakPolarHBondContact O-CA 3.45Å; A152-S159 WeakPolarHBondContact CB-OG 3.33Å; A152-S159 PolarHBondContact N-OG 3.39Å | ||
| 160 | F | 90.5 | Very high | 86.7 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 1% | 0.013 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -146 | 165 | 179.4 | 54.6 | -91.9 | 0 | 0 | 0 | 111.9 | A146 Y148 Y150 V158 D164 I166 V181 L190 V195 | A146-F160 HydrophobicContact CB-CD2 3.42Å; A146-F160 VanDerWaalsContact CB-CD2 3.42Å; A146-F160 HydrophobicContact CB-CE2 3.77Å; A146-F160 HydrophobicContact CB-CG 4.43Å; Y148-F160 WeakPolarHBondContact O-CE2 3.35Å; Y150-F160 HydrophobicContact CD1-CD1 4.33Å; Y150-F160 AromaticContact CD1-CE1 3.71Å; Y150-F160 HydrophobicContact CD1-CE1 3.71Å; Y150-F160 HydrophobicContact CD1-CZ 4.2Å; Y150-F160 AromaticContact CG-CE1 3.89Å; Y150-F160 HydrophobicContact CG-CE1 3.89Å; Y150-F160 AromaticContact CG-CZ 3.9Å; Y150-F160 HydrophobicContact CG-CZ 3.9Å; Y150-F160 PolarHBondContact N-O 3.44Å; Y150-F160 PolarHBondContact O-N 3.43Å; V158-F160 HydrophobicContact CG1-CD1 4.46Å; V158-F160 WeakPolarHBondContact O-CD1 3.2Å; F160-D164 WeakPolarHBondContact CA-OD2 3.36Å; F160-D164 HydrophobicContact CB-CB 4.14Å; F160-I166 HydrophobicContact CB-CD1 4.38Å; F160-I166 HydrophobicContact CG-CD1 4.39Å; F160-V181 HydrophobicContact CB-CG1 4.47Å; F160-V181 HydrophobicContact CB-CG2 3.82Å; F160-L190 HydrophobicContact CE1-CB 3.67Å; F160-L190 HydrophobicContact CZ-CB 4.37Å; F160-V195 HydrophobicContact CE2-CG1 4.28Å; F160-V195 HydrophobicContact CZ-CG1 4.26Å |
| 161 | L | 85.3 | Confident | 86.7 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 45% | 0.45 | 36% | 0.359 | S | S | . | . | trans | -114.3 | 159.9 | 178.4 | -61.6 | 175.6 | 0 | 0 | 0 | 110.4 | A146 D149 G163 D164 | A146-L161 WeakPolarHBondContact CB-O 3.37Å; D149-L161 HydrophobicContact CB-CD2 4.31Å; D149-L161 WeakPolarHBondContact OD1-CA 3.38Å; D149-L161 WeakPolarHBondContact OD1-CD2 3.29Å; L161-G163 PolarHBondContact O-N 3.49Å; L161-D164 PolarHBondContact N-OD2 2.78Å; L161-D164 VanDerWaalsContact O-CB 3.27Å; L161-D164 WeakPolarHBondContact O-CB 3.42Å; L161-D164 PolarHBondContact O-N 3.12Å | ||
| 162 | D | 89.8 | Confident | 86.4 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 133.9 | 170.3 | 176 | 41.5 | 0 | 0 | 0 | 111.2 | V147 D149 D164 | V147-D162 VanDerWaalsContact C-OD1 3.29Å; D149-D162 PolarHBondContact OD1-N 3.29Å; D162-D164 VanDerWaalsContact C-N 3.32Å; D162-D164 PolarHBondContact O-N 3.28Å |
| 163 | G | 88.4 | Confident | 86.1 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -5.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | A146 L161 | A146-G163 PolarHBondContact O-N 3.34Å; L161-G163 PolarHBondContact O-N 3.49Å |
| 164 | D | 91 | Very high | 85.9 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 8% | 0.075 | 36% | 0.355 | C | S | . | . | trans | -62.5 | 138 | 174.7 | -87.6 | -26.7 | 0 | 0 | 0 | 112 | R145 A146 F160 L161 D162 V181 R183 | R145-D164 CarbonylContact C-O 3.56Å; R145-D164 WeakPolarHBondContact CA-O 3.45Å; A146-D164 HydrophobicContact CB-CB 4.25Å; A146-D164 PolarHBondContact N-O 3.42Å; F160-D164 WeakPolarHBondContact CA-OD2 3.36Å; F160-D164 HydrophobicContact CB-CB 4.14Å; L161-D164 PolarHBondContact N-OD2 2.78Å; L161-D164 VanDerWaalsContact O-CB 3.27Å; L161-D164 WeakPolarHBondContact O-CB 3.42Å; L161-D164 PolarHBondContact O-N 3.12Å; D162-D164 VanDerWaalsContact C-N 3.32Å; D162-D164 PolarHBondContact O-N 3.28Å; D164-V181 HydrophobicContact CB-CG1 4.22Å; D164-R183 VanDerWaalsContact CG-NE 3.3Å; D164-R183 WeakPolarHBondContact OD1-CB 3.5Å; D164-R183 VanDerWaalsContact OD1-CD 3.27Å; D164-R183 WeakPolarHBondContact OD1-CD 3.48Å; D164-R183 IonicContact OD1-CZ 2.75Å; D164-R183 IonicContact OD1-NE 3.43Å; D164-R183 PolarHBondContact OD1-NE 3.32Å; D164-R183 IonicContact OD1-NH2 3.93Å; D164-R183 IonicContact OD2-CZ 2.66Å; D164-R183 VanDerWaalsContact OD2-CZ 3.28Å; D164-R183 IonicContact OD2-NE 3.48Å; D164-R183 PolarHBondContact OD2-NE 3.28Å; D164-R183 IonicContact OD2-NH2 3.6Å; D164-R183 PolarHBondContact OD2-NH2 2.91Å | ||
| 165 | M | 91.6 | Very high | 86.2 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 127.1 | 175 | -62.6 | -55.9 | -53.8 | 0 | 0 | 110.6 | R143 Y144 R145 E182 | R143-M165 HydrophobicContact CB-CE 3.83Å; Y144-M165 WeakPolarHBondContact O-CA 3.25Å; R145-M165 HydrophobicContact CB-SD 4.1Å; R145-M165 HydrophobicContact CG-SD 4.07Å; M165-E182 HydrophobicContact CB-CB 4.11Å; M165-E182 WeakPolarHBondContact CB-OE2 3.36Å; M165-E182 WeakPolarHBondContact O-CB 3.47Å; M165-E182 PolarHBondContact O-N 2.94Å |
| 166 | I | 92.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.5 | 174.5 | -37.3 | -61.2 | 0 | 0 | 0 | 109.2 | Y144 F160 V169 R180 V181 L190 V195 | Y144-I166 PolarHBondContact N-O 2.85Å; Y144-I166 PolarHBondContact O-N 3.14Å; F160-I166 HydrophobicContact CB-CD1 4.38Å; F160-I166 HydrophobicContact CG-CD1 4.39Å; I166-V169 HydrophobicContact CB-CG2 4.05Å; I166-V169 HydrophobicContact CG2-CG2 3.6Å; I166-R180 CarbonylContact C-O 3.57Å; I166-R180 WeakPolarHBondContact CA-O 3.39Å; I166-V181 HydrophobicContact CD1-CB 4.4Å; I166-V181 HydrophobicContact CD1-CG2 3.69Å; I166-L190 HydrophobicContact CG2-CD2 3.75Å; I166-V195 HydrophobicContact CG1-CG1 4.01Å |
| 167 | V | 91.2 | Very high | 86.8 | Confident | 27 Ų | 27 | 54 Ų | 54 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 170.8 | -179.1 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | V169 R180 | V167-V169 PolarHBondContact O-N 2.86Å; V167-V169 VanDerWaalsContact O-N 3.16Å; V167-R180 HydrophobicContact CG2-CB 4.09Å; V167-R180 HydrophobicContact CG2-CG 4.43Å; V167-R180 PolarHBondContact N-O 3.23Å; V167-R180 PolarHBondContact O-N 3.29Å |
| 168 | D | 87.9 | Confident | 86.8 | Confident | 94 Ų | 94 | 56.1 Ų | 56.1 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.2 | 31.6 | -178.2 | -58 | -37.7 | 0 | 0 | 0 | 114 | Q170 | D168-Q170 PolarHBondContact O-N 3.42Å |
| 169 | V | 87.6 | Confident | 86.9 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 128.1 | -168.4 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | Y144 I166 V167 M177 Y178 | Y144-V169 HydrophobicContact CD2-CB 3.7Å; Y144-V169 HydrophobicContact CD2-CG1 3.91Å; Y144-V169 HydrophobicContact CD2-CG2 3.53Å; Y144-V169 HydrophobicContact CE2-CB 3.72Å; Y144-V169 HydrophobicContact CE2-CG1 3.84Å; Y144-V169 HydrophobicContact CE2-CG2 4.1Å; Y144-V169 HydrophobicContact CG-CG2 4.38Å; I166-V169 HydrophobicContact CB-CG2 4.05Å; I166-V169 HydrophobicContact CG2-CG2 3.6Å; V167-V169 PolarHBondContact O-N 2.86Å; V167-V169 VanDerWaalsContact O-N 3.16Å; V169-M177 HydrophobicContact CG1-CB 4.01Å; V169-M177 HydrophobicContact CG1-CE 3.56Å; V169-M177 HydrophobicContact CG1-SD 4.17Å; V169-Y178 CarbonylContact C-O 3.54Å; V169-Y178 VanDerWaalsContact CA-O 3.27Å; V169-Y178 WeakPolarHBondContact CA-O 3.21Å |
| 170 | Q | 85.7 | Confident | 87 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.7 | 173.7 | -63.4 | -176.2 | 67.5 | 0 | 0 | 109.1 | N136 D168 I172 M177 Y178 | N136-Q170 PolarHBondContact ND2-OE1 3.12Å; D168-Q170 PolarHBondContact O-N 3.42Å; Q170-I172 PolarHBondContact O-N 2.75Å; Q170-M177 WeakPolarHBondContact O-CA 3.38Å; Q170-Y178 PolarHBondContact N-O 3.36Å; Q170-Y178 PolarHBondContact O-N 2.8Å |
| 171 | K | 81.8 | Confident | 87.1 | Confident | 120 Ų | 120 | 58.5 Ų | 58.5 | 52% | 0.522 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 122.1 | 174.1 | -172.7 | 172 | 177.8 | 179.7 | 0 | 109.3 | D173 D174 M177 | K171-D173 WeakPolarHBondContact CE-O 3.04Å; K171-D173 WeakPolarHBondContact CG-O 3.45Å; K171-D174 WeakPolarHBondContact CE-OD1 3.32Å; K171-D174 IonicContact NZ-OD1 3.11Å; K171-D174 PolarHBondContact NZ-OD1 3.29Å; K171-M177 HydrophobicContact CB-CE 4.11Å; K171-M177 HydrophobicContact CG-CE 4.44Å; K171-M177 HydrophobicContact CG-CG 4.5Å |
| 172 | I | 79.8 | Confident | 87.4 | Confident | 99 Ų | 99 | 59.8 Ų | 59.8 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | trans | -88.3 | -54.6 | 178.2 | -61.2 | 171.9 | 0 | 0 | 0 | 108.8 | Q170 W176 M189 | Q170-I172 PolarHBondContact O-N 2.75Å; I172-W176 PolarHBondContact N-O 3.15Å; I172-W176 VanDerWaalsContact N-O 3.1Å; I172-M189 HydrophobicContact CD1-CE 4.22Å; I172-M189 HydrophobicContact CD1-CG 4.31Å; I172-M189 HydrophobicContact CD1-SD 4.34Å | ||
| 173 | D | 79.2 | Confident | 87.3 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -143.9 | -168.4 | 175.8 | 65.3 | 37.2 | 0 | 0 | 0 | 110.5 | K171 G175 W176 | K171-D173 WeakPolarHBondContact CE-O 3.04Å; K171-D173 WeakPolarHBondContact CG-O 3.45Å; D173-G175 VanDerWaalsContact C-N 3.32Å; D173-G175 WeakPolarHBondContact OD1-CA 3.27Å; D173-G175 PolarHBondContact OD1-N 3.13Å; D173-W176 PolarHBondContact N-O 2.87Å; D173-W176 PolarHBondContact OD1-N 2.84Å |
| 174 | D | 71.8 | Confident | 87.2 | Confident | 132 Ų | 132 | 62 Ų | 62 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -77.4 | -12.3 | -179.4 | -72 | -42 | 0 | 0 | 0 | 114.6 | K171 | K171-D174 WeakPolarHBondContact CE-OD1 3.32Å; K171-D174 IonicContact NZ-OD1 3.11Å; K171-D174 PolarHBondContact NZ-OD1 3.29Å |
| 175 | G | 81.8 | Confident | 87.1 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 27% | 0.268 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -100.9 | -30.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D173 P191 A192 | D173-G175 VanDerWaalsContact C-N 3.32Å; D173-G175 WeakPolarHBondContact OD1-CA 3.27Å; D173-G175 PolarHBondContact OD1-N 3.13Å; G175-P191 CarbonylContact O-C 3.57Å; G175-P191 WeakPolarHBondContact O-CA 3.25Å; G175-A192 PolarHBondContact O-N 3.06Å |
| 176 | W | 86.5 | Confident | 86.6 | Confident | 80 Ų | 80 | 66.3 Ų | 66.3 | 30% | 0.303 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.6 | -168.7 | -63.5 | 98.7 | 0 | 0 | 0 | 114.2 | E157 I172 D173 M189 | E157-W176 HydrophobicContact CG-CZ3 4.41Å; E157-W176 VanDerWaalsContact OE1-CH2 3.25Å; E157-W176 WeakPolarHBondContact OE1-CH2 3.41Å; I172-W176 PolarHBondContact N-O 3.15Å; I172-W176 VanDerWaalsContact N-O 3.1Å; D173-W176 PolarHBondContact N-O 2.87Å; D173-W176 PolarHBondContact OD1-N 2.84Å; W176-M189 HydrophobicContact CB-CE 3.88Å; W176-M189 HydrophobicContact CD2-CE 3.95Å; W176-M189 HydrophobicContact CE3-CB 4.26Å; W176-M189 HydrophobicContact CE3-CE 4.08Å; W176-M189 HydrophobicContact CG-CE 3.87Å |
| 177 | M | 90.4 | Very high | 86.5 | Confident | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.049 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 154.1 | 172.3 | -49.6 | -179.9 | 90.7 | 0 | 0 | 108.7 | Y144 V169 Q170 K171 M189 L190 A192 V195 | Y144-M177 HydrophobicContact CD1-CE 4.38Å; Y144-M177 HydrophobicContact CE1-CE 3.81Å; Y144-M177 HydrophobicContact CE2-CE 4.3Å; V169-M177 HydrophobicContact CG1-CB 4.01Å; V169-M177 HydrophobicContact CG1-CE 3.56Å; V169-M177 HydrophobicContact CG1-SD 4.17Å; Q170-M177 WeakPolarHBondContact O-CA 3.38Å; K171-M177 HydrophobicContact CB-CE 4.11Å; K171-M177 HydrophobicContact CG-CE 4.44Å; K171-M177 HydrophobicContact CG-CG 4.5Å; M177-M189 CarbonylContact O-C 3.49Å; M177-M189 WeakPolarHBondContact O-CA 3.06Å; M177-L190 HydrophobicContact CB-CD1 4.02Å; M177-L190 HydrophobicContact CB-CG 4.17Å; M177-L190 PolarHBondContact N-O 3.09Å; M177-L190 PolarHBondContact O-N 2.88Å; M177-A192 HydrophobicContact CG-CB 3.72Å; M177-A192 HydrophobicContact SD-CB 3.94Å; M177-V195 HydrophobicContact SD-CG2 3.78Å |
| 178 | Y | 90.3 | Very high | 86.4 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 30% | 0.302 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 136.6 | 164.3 | -169.7 | -92.9 | 0 | 0 | 0 | 108.3 | V169 Q170 Q187 G188 M189 | V169-Y178 CarbonylContact C-O 3.54Å; V169-Y178 VanDerWaalsContact CA-O 3.27Å; V169-Y178 WeakPolarHBondContact CA-O 3.21Å; Q170-Y178 PolarHBondContact N-O 3.36Å; Q170-Y178 PolarHBondContact O-N 2.8Å; Y178-Q187 HydrophobicContact CE1-CB 4.42Å; Y178-Q187 WeakPolarHBondContact OH-CG 3.28Å; Y178-G188 WeakPolarHBondContact CA-O 3.35Å; Y178-G188 WeakPolarHBondContact CD2-O 3.19Å; Y178-M189 HydrophobicContact CD2-CG 4.27Å |
| 179 | G | 91.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 173 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q187 G188 | G179-Q187 VanDerWaalsContact O-CA 3.22Å; G179-Q187 WeakPolarHBondContact O-CA 3.27Å; G179-G188 PolarHBondContact N-O 3.25Å; G179-G188 PolarHBondContact O-N 2.62Å |
| 180 | R | 92.6 | Very high | 86.8 | Confident | 98 Ų | 98 | 67.1 Ų | 67.1 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.2 | 179 | -178.9 | -177.4 | -65.2 | -176.2 | 1.1 | 111 | I166 V167 Q186 Q187 | I166-R180 CarbonylContact C-O 3.57Å; I166-R180 WeakPolarHBondContact CA-O 3.39Å; V167-R180 HydrophobicContact CG2-CB 4.09Å; V167-R180 HydrophobicContact CG2-CG 4.43Å; V167-R180 PolarHBondContact N-O 3.23Å; V167-R180 PolarHBondContact O-N 3.29Å; R180-Q186 CarbonylContact C-O 3.56Å; R180-Q186 WeakPolarHBondContact CA-O 3.41Å; R180-Q187 HydrophobicContact CB-CB 3.97Å; R180-Q187 HydrophobicContact CG-CB 4.23Å |
| 181 | V | 93 | Very high | 87 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 120.3 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | V158 F160 D164 I166 R183 T184 G185 Q186 | V158-V181 HydrophobicContact CG1-CG2 4.31Å; V158-V181 HydrophobicContact CG2-CB 4.4Å; V158-V181 HydrophobicContact CG2-CG2 3.53Å; F160-V181 HydrophobicContact CB-CG1 4.47Å; F160-V181 HydrophobicContact CB-CG2 3.82Å; D164-V181 HydrophobicContact CB-CG1 4.22Å; I166-V181 HydrophobicContact CD1-CB 4.4Å; I166-V181 HydrophobicContact CD1-CG2 3.69Å; V181-R183 VanDerWaalsContact C-N 3.3Å; V181-R183 HydrophobicContact CG1-CB 4.14Å; V181-R183 PolarHBondContact O-N 3.37Å; V181-T184 WeakPolarHBondContact CB-OG1 3.39Å; V181-T184 HydrophobicContact CG1-CG2 4.32Å; V181-T184 PolarHBondContact O-N 2.78Å; V181-G185 WeakPolarHBondContact O-CA 3.39Å; V181-G185 PolarHBondContact O-N 2.98Å; V181-Q186 PolarHBondContact N-O 3.39Å |
| 182 | E | 90.5 | Very high | 87.3 | Confident | 112 Ų | 112 | 58.7 Ų | 58.7 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -33.8 | -177.7 | -169.3 | 171 | -145.9 | 0 | 0 | 112.2 | M165 | M165-E182 HydrophobicContact CB-CB 4.11Å; M165-E182 WeakPolarHBondContact CB-OE2 3.36Å; M165-E182 WeakPolarHBondContact O-CB 3.47Å; M165-E182 PolarHBondContact O-N 2.94Å |
| 183 | R | 88.7 | Confident | 87.8 | Confident | 136 Ų | 136 | 60.1 Ų | 60.1 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -41.6 | 179.9 | 179.5 | 179.6 | 57.8 | 79.5 | 6 | 114 | D164 V181 | D164-R183 VanDerWaalsContact CG-NE 3.3Å; D164-R183 WeakPolarHBondContact OD1-CB 3.5Å; D164-R183 VanDerWaalsContact OD1-CD 3.27Å; D164-R183 WeakPolarHBondContact OD1-CD 3.48Å; D164-R183 IonicContact OD1-CZ 2.75Å; D164-R183 IonicContact OD1-NE 3.43Å; D164-R183 PolarHBondContact OD1-NE 3.32Å; D164-R183 IonicContact OD1-NH2 3.93Å; D164-R183 IonicContact OD2-CZ 2.66Å; D164-R183 VanDerWaalsContact OD2-CZ 3.28Å; D164-R183 IonicContact OD2-NE 3.48Å; D164-R183 PolarHBondContact OD2-NE 3.28Å; D164-R183 IonicContact OD2-NH2 3.6Å; D164-R183 PolarHBondContact OD2-NH2 2.91Å; V181-R183 VanDerWaalsContact C-N 3.3Å; V181-R183 HydrophobicContact CG1-CB 4.14Å; V181-R183 PolarHBondContact O-N 3.37Å |
| 184 | T | 86.4 | Confident | 88.2 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 32% | 0.319 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -17 | -174.8 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | V181 Q186 | V181-T184 WeakPolarHBondContact CB-OG1 3.39Å; V181-T184 HydrophobicContact CG1-CG2 4.32Å; V181-T184 PolarHBondContact O-N 2.78Å; T184-Q186 PolarHBondContact O-N 2.68Å; T184-Q186 WeakPolarHBondContact OG1-CB 3.18Å; T184-Q186 PolarHBondContact OG1-N 3.43Å |
| 185 | G | 87.5 | Confident | 89 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | trans | 69.9 | -2.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V181 | V181-G185 WeakPolarHBondContact O-CA 3.39Å; V181-G185 PolarHBondContact O-N 2.98Å | ||
| 186 | Q | 81.7 | Confident | 89.3 | Confident | 106 Ų | 106 | 58 Ų | 58 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | trans | -72.9 | 146.2 | 179.4 | -64.3 | 179 | 2.2 | 0 | 0 | 110.3 | V158 R180 V181 T184 | V158-Q186 HydrophobicContact CG2-CB 3.71Å; R180-Q186 CarbonylContact C-O 3.56Å; R180-Q186 WeakPolarHBondContact CA-O 3.41Å; V181-Q186 PolarHBondContact N-O 3.39Å; T184-Q186 PolarHBondContact O-N 2.68Å; T184-Q186 WeakPolarHBondContact OG1-CB 3.18Å; T184-Q186 PolarHBondContact OG1-N 3.43Å | ||
| 187 | Q | 90.6 | Very high | 89.3 | Confident | 99 Ų | 99 | 59 Ų | 59 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140.6 | -179.7 | 62.7 | -178.8 | 21.5 | 0 | 0 | 109.7 | Y178 G179 R180 | Y178-Q187 HydrophobicContact CE1-CB 4.42Å; Y178-Q187 WeakPolarHBondContact OH-CG 3.28Å; G179-Q187 VanDerWaalsContact O-CA 3.22Å; G179-Q187 WeakPolarHBondContact O-CA 3.27Å; R180-Q187 HydrophobicContact CB-CB 3.97Å; R180-Q187 HydrophobicContact CG-CB 4.23Å |
| 188 | G | 89.4 | Confident | 88.5 | Confident | 2 Ų | 2 | 68 Ų | 68 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | -173.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D156 Y178 G179 | D156-G188 CarbonylContact O-C 3.57Å; D156-G188 WeakPolarHBondContact O-CA 3.36Å; Y178-G188 WeakPolarHBondContact CA-O 3.35Å; Y178-G188 WeakPolarHBondContact CD2-O 3.19Å; G179-G188 PolarHBondContact N-O 3.25Å; G179-G188 PolarHBondContact O-N 2.62Å |
| 189 | M | 92.5 | Very high | 88.4 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 142.2 | 171.6 | -68.3 | -172.9 | 56.3 | 0 | 0 | 111.1 | D156 E157 V158 I172 W176 M177 Y178 | D156-M189 PolarHBondContact O-N 3.37Å; E157-M189 CarbonylContact C-O 3.6Å; E157-M189 VanDerWaalsContact CA-O 3.29Å; E157-M189 WeakPolarHBondContact CA-O 3.32Å; E157-M189 HydrophobicContact CG-CB 4.25Å; V158-M189 PolarHBondContact N-O 2.81Å; I172-M189 HydrophobicContact CD1-CE 4.22Å; I172-M189 HydrophobicContact CD1-CG 4.31Å; I172-M189 HydrophobicContact CD1-SD 4.34Å; W176-M189 HydrophobicContact CB-CE 3.88Å; W176-M189 HydrophobicContact CD2-CE 3.95Å; W176-M189 HydrophobicContact CE3-CB 4.26Å; W176-M189 HydrophobicContact CE3-CE 4.08Å; W176-M189 HydrophobicContact CG-CE 3.87Å; M177-M189 CarbonylContact O-C 3.49Å; M177-M189 WeakPolarHBondContact O-CA 3.06Å; Y178-M189 HydrophobicContact CD2-CG 4.27Å |
| 190 | L | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 145.5 | 178.1 | 60.4 | 107.2 | 0 | 0 | 0 | 110.9 | V158 F160 I166 M177 A192 V195 | V158-L190 HydrophobicContact CG1-CB 4.05Å; V158-L190 HydrophobicContact CG1-CD2 3.95Å; F160-L190 HydrophobicContact CE1-CB 3.67Å; F160-L190 HydrophobicContact CZ-CB 4.37Å; I166-L190 HydrophobicContact CG2-CD2 3.75Å; M177-L190 HydrophobicContact CB-CD1 4.02Å; M177-L190 HydrophobicContact CB-CG 4.17Å; M177-L190 PolarHBondContact N-O 3.09Å; M177-L190 PolarHBondContact O-N 2.88Å; L190-A192 PolarHBondContact O-N 2.97Å; L190-V195 HydrophobicContact CD1-CB 4.44Å; L190-V195 HydrophobicContact CD1-CG1 3.8Å; L190-V195 HydrophobicContact CD1-CG2 3.72Å |
| 191 | P | 89.2 | Confident | 88 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126.3 | 179.6 | 26.5 | -33.1 | 0 | 0 | 0 | 111.3 | Y150 G175 N193 Y194 | Y150-P191 HydrophobicContact CD2-CG 3.78Å; Y150-P191 HydrophobicContact CE1-CG 4.48Å; Y150-P191 HydrophobicContact CE2-CG 3.73Å; Y150-P191 HydrophobicContact CG-CG 4.19Å; G175-P191 CarbonylContact O-C 3.57Å; G175-P191 WeakPolarHBondContact O-CA 3.25Å; P191-N193 PolarHBondContact O-N 3.43Å; P191-N193 VanDerWaalsContact O-N 3.17Å; P191-Y194 HydrophobicContact CB-CD2 3.72Å; P191-Y194 HydrophobicContact CB-CE2 4.22Å; P191-Y194 HydrophobicContact CB-CG 4.37Å; P191-Y194 HydrophobicContact CG-CD1 4.37Å; P191-Y194 HydrophobicContact CG-CD2 3.51Å; P191-Y194 HydrophobicContact CG-CE2 4.07Å; P191-Y194 HydrophobicContact CG-CG 3.71Å; P191-Y194 PolarHBondContact O-N 3.35Å; P191-Y194 VanDerWaalsContact O-N 3.11Å |
| 192 | A | 89.2 | Confident | 87.7 | Confident | 18 Ų | 18 | 73.7 Ų | 73.7 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -58.6 | -31.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G175 M177 L190 Y194 | G175-A192 PolarHBondContact O-N 3.06Å; M177-A192 HydrophobicContact CG-CB 3.72Å; M177-A192 HydrophobicContact SD-CB 3.94Å; L190-A192 PolarHBondContact O-N 2.97Å; A192-Y194 PolarHBondContact O-N 3.31Å |
| 193 | N | 90 | Very high | 87.5 | Confident | 129 Ų | 129 | 71.3 Ų | 71.3 | 69% | 0.69 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -74.9 | -3.9 | -178.6 | -61.7 | -62.6 | 0 | 0 | 0 | 114.3 | P191 | P191-N193 PolarHBondContact O-N 3.43Å; P191-N193 VanDerWaalsContact O-N 3.17Å |
| 194 | Y | 87.8 | Confident | 87.5 | Confident | 90 Ų | 90 | 67 Ų | 67 | 35% | 0.353 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -103.2 | -1.4 | -177.7 | -75.3 | -121.1 | 0 | 0 | 0 | 112.4 | A146 V147 Y148 Y150 P191 A192 | A146-Y194 WeakPolarHBondContact CA-O 3.38Å; V147-Y194 PolarHBondContact N-O 2.93Å; Y148-Y194 HydrophobicContact CD2-CD1 4.3Å; Y148-Y194 HydrophobicContact CD2-CG 4.47Å; Y150-Y194 HydrophobicContact CD2-CD1 4.17Å; Y150-Y194 HydrophobicContact CD2-CE1 4.08Å; P191-Y194 HydrophobicContact CB-CD2 3.72Å; P191-Y194 HydrophobicContact CB-CE2 4.22Å; P191-Y194 HydrophobicContact CB-CG 4.37Å; P191-Y194 HydrophobicContact CG-CD1 4.37Å; P191-Y194 HydrophobicContact CG-CD2 3.51Å; P191-Y194 HydrophobicContact CG-CE2 4.07Å; P191-Y194 HydrophobicContact CG-CG 3.71Å; P191-Y194 PolarHBondContact O-N 3.35Å; P191-Y194 VanDerWaalsContact O-N 3.11Å; A192-Y194 PolarHBondContact O-N 3.31Å |
| 195 | V | 87.4 | Confident | 87.5 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.055 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 131.9 | -174.6 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | Y144 R145 F160 I166 M177 L190 | Y144-V195 HydrophobicContact CD1-CG2 4.29Å; R145-V195 WeakPolarHBondContact O-CA 3.39Å; F160-V195 HydrophobicContact CE2-CG1 4.28Å; F160-V195 HydrophobicContact CZ-CG1 4.26Å; I166-V195 HydrophobicContact CG1-CG1 4.01Å; M177-V195 HydrophobicContact SD-CG2 3.78Å; L190-V195 HydrophobicContact CD1-CB 4.44Å; L190-V195 HydrophobicContact CD1-CG1 3.8Å; L190-V195 HydrophobicContact CD1-CG2 3.72Å |
| 196 | D | 88.2 | Confident | 87.5 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140.1 | 176.1 | -84.3 | -24 | 0 | 0 | 0 | 110.8 | Y144 R145 V147 | Y144-D196 CarbonylContact C-O 3.46Å; Y144-D196 WeakPolarHBondContact CA-O 3.3Å; R145-D196 PolarHBondContact N-O 3.01Å; R145-D196 PolarHBondContact O-N 2.84Å; V147-D196 HydrophobicContact CG2-CB 3.93Å; V147-D196 WeakPolarHBondContact CG2-OD2 3.31Å |
| 197 | E | 87.8 | Confident | 88 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 137.5 | 172.5 | -161.9 | 167 | 161.3 | 0 | 0 | 110.7 | R142 Y144 | R142-E197 WeakPolarHBondContact CD-OE1 3.22Å; R142-E197 WeakPolarHBondContact CG-OE1 3.44Å; R142-E197 IonicContact CZ-OE1 3.54Å; R142-E197 IonicContact NE-OE1 3.36Å; R142-E197 PolarHBondContact NE-OE1 3.19Å; R142-E197 IonicContact NH1-OE1 2.77Å; R142-E197 PolarHBondContact NH1-OE1 3.13Å; R142-E197 IonicContact NH1-OE2 2.69Å; Y144-E197 HydrophobicContact CD1-CB 3.83Å; Y144-E197 HydrophobicContact CD1-CG 4.28Å; Y144-E197 HydrophobicContact CE1-CB 3.47Å; Y144-E197 VanDerWaalsContact CE1-CB 3.47Å; Y144-E197 HydrophobicContact CE1-CG 3.71Å; Y144-E197 HydrophobicContact CE2-CG 4.4Å; Y144-E197 VanDerWaalsContact OH-CD 3.22Å; Y144-E197 PolarHBondContact OH-OE2 2.83Å |
| 198 | F | 72.7 | Confident | 87.8 | Confident | 199 Ų | 199 | 63.7 Ų | 63.7 | 87% | 0.873 | 31% | 0.311 | S | S | * | . | trans | -131.8 | 0 | 179.8 | -169.9 | -80.4 | 0 | 0 | 0 | 112.6 | R143 | R143-F198 PolarHBondContact O-N 3.49Š|
Retrieved 198 of 198 residues in 280.7 ms
(Link to these results)