| 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 | 40.3 | Very low | 44.4 | Very low | 240 Ų | 240 | 169.5 Ų | 169.5 | 100% | 1.182 | 87% | 0.867 | S | S | * | * | 0 | 96 | 0 | -70.4 | 161.2 | 87.9 | 0 | 0 | 107.4 | |||||
| 2 | T | 39 | Very low | 44.2 | Very low | 147 Ų | 147 | 165.9 Ų | 165.9 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | trans | -95 | 99.6 | -165.9 | 35.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 3 | S | 38.4 | Very low | 43.8 | Very low | 126 Ų | 126 | 160 Ų | 160 | 88% | 0.881 | 84% | 0.841 | S | S | * | * | trans | -114.2 | 78.8 | 170.9 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 4 | S | 51.4 | Low | 43.9 | Very low | 112 Ų | 112 | 154.9 Ų | 154.9 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | trans | -145 | 74.6 | 168.2 | -175.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 5 | R | 51.1 | Low | 43.7 | Very low | 231 Ų | 231 | 149.5 Ų | 149.5 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -141.7 | 18.4 | 179.6 | -78.7 | -158.7 | 171.4 | -168 | -1.3 | 114.5 | ||||
| 6 | L | 48.8 | Very low | 43.6 | Very low | 155 Ų | 155 | 151.4 Ų | 151.4 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -122.5 | 7.8 | 180 | -66.8 | 174.9 | 0 | 0 | 0 | 115.4 | ||
| 7 | W | 41.3 | Very low | 43.6 | Very low | 253 Ų | 253 | 145.9 Ų | 145.9 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -104.5 | 1.1 | 175 | -94.7 | 10.1 | 0 | 0 | 0 | 115.6 | ||
| 8 | F | 42.5 | Very low | 43.7 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -100.7 | 9.5 | -179 | -93.6 | -80.3 | 0 | 0 | 0 | 115.4 | ||
| 9 | S | 45.5 | Very low | 44.3 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -99.6 | -2.7 | -173.6 | -43.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 10 | L | 44.8 | Very low | 44.8 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -108.4 | -0.8 | -178.3 | -95.4 | 155.4 | 0 | 0 | 0 | 114.9 | ||
| 11 | L | 44.9 | Very low | 45.2 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -104.8 | 7.1 | 173.8 | -73.7 | 170.1 | 0 | 0 | 0 | 113.8 | ||
| 12 | L | 42.7 | Very low | 46.5 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 67% | 0.665 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -111.8 | 28.3 | 178.5 | -146.2 | 79.4 | 0 | 0 | 0 | 113.7 | ||
| 13 | A | 38.8 | Very low | 48.2 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -112.2 | 1.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 14 | A | 44.3 | Very low | 49.6 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -96.3 | -11.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 15 | A | 42.2 | Very low | 51.2 | Low | 75 Ų | 75 | 130.5 Ų | 130.5 | 62% | 0.62 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -94.3 | -1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 16 | F | 41.6 | Very low | 52.5 | Low | 180 Ų | 180 | 127 Ų | 127 | 79% | 0.789 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -121.6 | 15.6 | 174.4 | -68.3 | -73.8 | 0 | 0 | 0 | 113.5 | G18 | F16-G18 PolarHBondContact O-N 3.18Š|
| 17 | A | 43.8 | Very low | 54.2 | Low | 58 Ų | 58 | 121 Ų | 121 | 48% | 0.479 | 66% | 0.658 | S | S | . | * | trans | -74.7 | 97.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | R19 T21 | A17-R19 PolarHBondContact O-N 3.27Å; A17-T21 HydrophobicContact CB-CG2 3.82Å | ||
| 18 | G | 44.8 | Very low | 56.4 | Low | 63 Ų | 63 | 118.4 Ų | 118.4 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | trans | -58.8 | 119.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | F16 A20 | F16-G18 PolarHBondContact O-N 3.18Å; G18-A20 PolarHBondContact O-N 3.35Å | ||
| 19 | R | 55.7 | Low | 58.6 | Low | 180 Ų | 180 | 115.5 Ų | 115.5 | 68% | 0.679 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 47.1 | -11 | 147.8 | -63.3 | -177.9 | 177.4 | 169.4 | 2.4 | 122 | A17 D34 | A17-R19 PolarHBondContact O-N 3.27Å; R19-D34 IonicContact CZ-OD1 3.95Å; R19-D34 IonicContact NH1-OD1 2.89Å; R19-D34 PolarHBondContact NH1-OD1 3.45Å |
| 20 | A | 53.7 | Low | 60.7 | Low | 22 Ų | 22 | 114.9 Ų | 114.9 | 18% | 0.182 | 64% | 0.636 | C | S | . | * | trans | -127.1 | 47 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G18 A22 F30 | G18-A20 PolarHBondContact O-N 3.35Å; A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 2.87Å; A20-F30 HydrophobicContact CB-CE1 4Å; A20-F30 HydrophobicContact CB-CZ 3.86Å | ||
| 21 | T | 52.7 | Low | 62.7 | Low | 117 Ų | 117 | 115 Ų | 115 | 72% | 0.718 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 5.7 | -177 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | A17 | A17-T21 HydrophobicContact CB-CG2 3.82Š|
| 22 | A | 68.6 | Low | 64.7 | Low | 96 Ų | 96 | 112.9 Ų | 112.9 | 79% | 0.793 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 5.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A20 W24 | A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 2.87Å; A22-W24 PolarHBondContact O-N 2.56Å |
| 23 | L | 74.3 | Confident | 66.7 | Low | 76 Ų | 76 | 110.6 Ų | 110.6 | 40% | 0.398 | 62% | 0.62 | S | S | . | * | trans | -80.7 | 121.4 | 179.3 | -65.8 | 176.7 | 0 | 0 | 0 | 110.8 | P27 F30 | L23-P27 HydrophobicContact CD1-CG 4.32Å; L23-F30 HydrophobicContact CD1-CD2 3.85Å; L23-F30 HydrophobicContact CD1-CE2 3.53Å; L23-F30 HydrophobicContact CD1-CZ 4Å | ||
| 24 | W | 68.7 | Low | 68.8 | Low | 240 Ų | 240 | 112.2 Ų | 112.2 | 91% | 0.909 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -146.2 | 129.5 | 174.3 | -172.2 | -91 | 0 | 0 | 0 | 112 | A22 | A22-W24 PolarHBondContact O-N 2.56Š|
| 25 | P | 83.6 | Confident | 70.7 | Confident | 91 Ų | 91 | 112.1 Ų | 112.1 | 59% | 0.591 | 60% | 0.601 | S | S | * | * | S | Bend | cis | -60.8 | 160.9 | -11 | -21.9 | 34.7 | 0 | 0 | 0 | 112.9 | ||
| 26 | W | 79.6 | Confident | 72.5 | Confident | 156 Ų | 156 | 116.8 Ų | 116.8 | 59% | 0.591 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 128.6 | 177.4 | -165.3 | -88.2 | 0 | 0 | 0 | 110.4 | ||
| 27 | P | 84.4 | Confident | 74.6 | Confident | 29 Ų | 29 | 110.6 Ų | 110.6 | 19% | 0.188 | 57% | 0.574 | C | S | . | * | P | Polyproline II helix | trans | -70.6 | 153.9 | -179.1 | 29.4 | -36.1 | 0 | 0 | 0 | 112.3 | L23 N29 F30 | L23-P27 HydrophobicContact CD1-CG 4.32Å; P27-N29 PolarHBondContact O-N 3.21Å; P27-F30 HydrophobicContact CG-CB 4.03Å; P27-F30 HydrophobicContact CG-CD2 4.28Å; P27-F30 HydrophobicContact CG-CG 4.46Å |
| 28 | Q | 87.6 | Confident | 76.5 | Confident | 200 Ų | 200 | 109.2 Ų | 109.2 | 94% | 0.935 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -65.2 | -38.8 | -179.5 | -67.8 | -65.6 | -42.3 | 0 | 0 | 113 | ||
| 29 | N | 89.5 | Confident | 78.4 | Confident | 127 Ų | 127 | 109.8 Ų | 109.8 | 68% | 0.679 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -129.8 | 131.9 | 175.4 | -172.3 | 6.8 | 0 | 0 | 0 | 109.1 | P27 | P27-N29 PolarHBondContact O-N 3.21Š|
| 30 | F | 88.4 | Confident | 79.7 | Confident | 80 Ų | 80 | 105 Ų | 105 | 35% | 0.351 | 53% | 0.53 | S | S | . | . | trans | -143.3 | 127.8 | -177.2 | -179.5 | -108.1 | 0 | 0 | 0 | 110.7 | A20 L23 P27 T32 | A20-F30 HydrophobicContact CB-CE1 4Å; A20-F30 HydrophobicContact CB-CZ 3.86Å; L23-F30 HydrophobicContact CD1-CD2 3.85Å; L23-F30 HydrophobicContact CD1-CE2 3.53Å; L23-F30 HydrophobicContact CD1-CZ 4Å; P27-F30 HydrophobicContact CG-CB 4.03Å; P27-F30 HydrophobicContact CG-CD2 4.28Å; P27-F30 HydrophobicContact CG-CG 4.46Å; F30-T32 HydrophobicContact CE1-CG2 3.89Å; F30-T32 HydrophobicContact CZ-CG2 4.26Å | ||
| 31 | Q | 88.1 | Confident | 81.2 | Confident | 170 Ų | 170 | 105.1 Ų | 105.1 | 79% | 0.794 | 53% | 0.529 | S | S | * | . | trans | -133.5 | 132.1 | 173.2 | -61.5 | -175.9 | 8.3 | 0 | 0 | 107.8 | ||||
| 32 | T | 85.7 | Confident | 82.6 | Confident | 106 Ų | 106 | 107.1 Ų | 107.1 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | trans | -124 | 147 | -179 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | F30 | F30-T32 HydrophobicContact CE1-CG2 3.89Å; F30-T32 HydrophobicContact CZ-CG2 4.26Å | ||
| 33 | S | 85.4 | Confident | 83.4 | Confident | 79 Ų | 79 | 106.8 Ų | 106.8 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | trans | -108.6 | 163.8 | 170.8 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | Q35 | S33-Q35 PolarHBondContact OG-N 3.26Š| ||
| 34 | D | 83.3 | Confident | 84.2 | Confident | 124 Ų | 124 | 103.4 Ų | 103.4 | 66% | 0.663 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -81.2 | -4.9 | 170.1 | -87.9 | -45.6 | 0 | 0 | 0 | 113.2 | R19 | R19-D34 IonicContact CZ-OD1 3.95Å; R19-D34 IonicContact NH1-OD1 2.89Å; R19-D34 PolarHBondContact NH1-OD1 3.45Å |
| 35 | Q | 82.3 | Confident | 85.3 | Confident | 86 Ų | 86 | 96.6 Ų | 96.6 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | trans | -65.3 | 139.9 | 177.4 | -160.4 | 144.7 | -4.5 | 0 | 0 | 111.1 | S33 Y37 D122 | S33-Q35 PolarHBondContact OG-N 3.26Å; Q35-Y37 HydrophobicContact CG-CE1 4.39Å; Q35-Y37 HydrophobicContact CG-CE2 4.29Å; Q35-D122 PolarHBondContact NE2-OD1 3.25Å; Q35-D122 PolarHBondContact NE2-OD2 3.2Å | ||
| 36 | R | 81.6 | Confident | 85.8 | Confident | 172 Ų | 172 | 93.5 Ų | 93.5 | 65% | 0.649 | 46% | 0.458 | S | S | * | . | trans | -123.2 | 131.8 | -177.9 | -63.7 | -176.1 | -177.6 | -171.2 | -2 | 109.9 | ||||
| 37 | Y | 84.8 | Confident | 86.6 | Confident | 51 Ų | 51 | 90 Ų | 90 | 20% | 0.2 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 143.6 | 175.3 | -56.4 | -80.1 | 0 | 0 | 0 | 109.9 | Q35 L90 K92 I120 N121 D122 | Q35-Y37 HydrophobicContact CG-CE1 4.39Å; Q35-Y37 HydrophobicContact CG-CE2 4.29Å; Y37-L90 WeakPolarHBondContact CA-O 3.47Å; Y37-L90 HydrophobicContact CD1-CB 3.81Å; Y37-L90 HydrophobicContact CE1-CB 3.97Å; Y37-L90 HydrophobicContact CE1-CD1 4.35Å; Y37-K92 HydrophobicContact CD1-CD 4.45Å; Y37-K92 HydrophobicContact CD1-CG 3.66Å; Y37-K92 HydrophobicContact CE1-CG 4.39Å; Y37-K92 HydrophobicContact CG-CG 3.86Å; Y37-I120 HydrophobicContact CD2-CG2 3.83Å; Y37-I120 HydrophobicContact CE2-CG2 3.81Å; Y37-N121 WeakPolarHBondContact OH-CA 3.48Å; Y37-D122 VanDerWaalsContact CE1-OD1 3.31Å; Y37-D122 WeakPolarHBondContact CE1-OD1 3.36Å; Y37-D122 PolarHBondContact OH-N 2.85Å; Y37-D122 PolarHBondContact OH-OD1 3.38Å |
| 38 | V | 83.4 | Confident | 87.1 | Confident | 29 Ų | 29 | 90.2 Ų | 90.2 | 18% | 0.176 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.6 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | Y40 T89 L90 K92 | V38-Y40 HydrophobicContact CB-CE2 4.38Å; V38-Y40 HydrophobicContact CG1-CD2 4.22Å; V38-Y40 HydrophobicContact CG1-CE1 4.16Å; V38-Y40 HydrophobicContact CG1-CE2 3.68Å; V38-T89 HydrophobicContact CG2-CG2 3.91Å; V38-L90 PolarHBondContact N-O 2.91Å; V38-K92 PolarHBondContact O-N 3.26Å |
| 39 | L | 85.4 | Confident | 87.5 | Confident | 75 Ų | 75 | 82.5 Ų | 82.5 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | trans | -106.7 | 126.5 | 172.9 | -52.7 | -178.9 | 0 | 0 | 0 | 108.2 | F44 F73 K92 | L39-F44 HydrophobicContact CD2-CD2 4.1Å; L39-F44 HydrophobicContact CD2-CE2 4.07Å; L39-F73 HydrophobicContact CB-CE1 4.31Å; L39-F73 HydrophobicContact CB-CZ 4.27Å; L39-K92 HydrophobicContact CD2-CB 3.79Å; L39-K92 WeakPolarHBondContact CD2-O 3.04Å | ||
| 40 | Y | 82.3 | Confident | 87.6 | Confident | 78 Ų | 78 | 83.1 Ų | 83.1 | 31% | 0.306 | 42% | 0.418 | S | S | . | . | trans | -98.9 | 121.4 | 175 | -69.2 | -81 | 0 | 0 | 0 | 110.7 | V38 N42 N43 F44 E91 | V38-Y40 HydrophobicContact CB-CE2 4.38Å; V38-Y40 HydrophobicContact CG1-CD2 4.22Å; V38-Y40 HydrophobicContact CG1-CE1 4.16Å; V38-Y40 HydrophobicContact CG1-CE2 3.68Å; Y40-N42 PolarHBondContact O-N 3.21Å; Y40-N43 PolarHBondContact O-N 2.91Å; Y40-F44 VanDerWaalsContact O-CB 3.25Å; Y40-F44 WeakPolarHBondContact O-CB 3.3Å; Y40-F44 PolarHBondContact O-N 3.2Å; Y40-E91 HydrophobicContact CE2-CB 4.38Å; Y40-E91 HydrophobicContact CE2-CG 3.86Å; Y40-E91 WeakPolarHBondContact CE2-OE1 3.45Å; Y40-E91 PolarHBondContact OH-OE1 2.85Å; Y40-E91 VanDerWaalsContact OH-OE1 3.1Å | ||
| 41 | P | 84.9 | Confident | 87.8 | Confident | 26 Ų | 26 | 84 Ų | 84 | 17% | 0.169 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -45.3 | 178.8 | -25 | 30.2 | 0 | 0 | 0 | 112.4 | N43 R69 F73 W78 | P41-N43 VanDerWaalsContact C-N 3.3Å; P41-N43 PolarHBondContact O-N 3.39Å; P41-R69 PolarHBondContact O-NH1 3.07Å; P41-R69 PolarHBondContact O-NH2 2.98Å; P41-F73 HydrophobicContact CB-CB 4.13Å; P41-F73 HydrophobicContact CB-CD1 3.64Å; P41-F73 HydrophobicContact CB-CE1 4.2Å; P41-F73 HydrophobicContact CB-CG 3.88Å; P41-F73 HydrophobicContact CG-CD1 3.59Å; P41-F73 HydrophobicContact CG-CE1 4.01Å; P41-F73 HydrophobicContact CG-CG 4.31Å; P41-W78 HydrophobicContact CB-CG 4.42Å; P41-W78 HydrophobicContact CG-CB 3.94Å; P41-W78 HydrophobicContact CG-CD2 4.04Å; P41-W78 HydrophobicContact CG-CG 3.59Å |
| 42 | N | 82.8 | Confident | 88.1 | Confident | 158 Ų | 158 | 76.2 Ų | 76.2 | 85% | 0.845 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.9 | -173.6 | -63 | -4.8 | 0 | 0 | 0 | 114.2 | Y40 | Y40-N42 PolarHBondContact O-N 3.21Š|
| 43 | N | 86.1 | Confident | 88.3 | Confident | 89 Ų | 89 | 73.4 Ų | 73.4 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -6.9 | -173.5 | -161 | 26 | 0 | 0 | 0 | 113.6 | Y40 P41 Q45 | Y40-N43 PolarHBondContact O-N 2.91Å; P41-N43 VanDerWaalsContact C-N 3.3Å; P41-N43 PolarHBondContact O-N 3.39Å; N43-Q45 PolarHBondContact O-N 3.41Å |
| 44 | F | 90.4 | Very high | 88.6 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | trans | -66.4 | 133.4 | 177.6 | -176.6 | -88.6 | 0 | 0 | 0 | 110.6 | L39 Y40 F46 R69 L72 F73 N93 L95 | L39-F44 HydrophobicContact CD2-CD2 4.1Å; L39-F44 HydrophobicContact CD2-CE2 4.07Å; Y40-F44 VanDerWaalsContact O-CB 3.25Å; Y40-F44 WeakPolarHBondContact O-CB 3.3Å; Y40-F44 PolarHBondContact O-N 3.2Å; F44-F46 HydrophobicContact CD1-CE2 4.46Å; F44-F46 HydrophobicContact CE1-CD2 4.02Å; F44-F46 HydrophobicContact CE1-CE1 4.28Å; F44-F46 AromaticContact CE1-CE2 3.68Å; F44-F46 HydrophobicContact CE1-CE2 3.68Å; F44-F46 HydrophobicContact CE1-CG 4.45Å; F44-F46 AromaticContact CE1-CZ 3.81Å; F44-F46 HydrophobicContact CE1-CZ 3.81Å; F44-F46 HydrophobicContact CZ-CZ 4.38Å; F44-R69 PolarHBondContact O-NH1 2.84Å; F44-R69 PolarHBondContact O-NH2 2.56Å; F44-L72 HydrophobicContact CE1-CD1 4.22Å; F44-F73 HydrophobicContact CB-CE2 3.67Å; F44-F73 HydrophobicContact CB-CZ 3.61Å; F44-F73 AromaticContact CD1-CE2 3.5Å; F44-F73 HydrophobicContact CD1-CE2 3.5Å; F44-F73 AromaticContact CD1-CZ 3.94Å; F44-F73 HydrophobicContact CD1-CZ 3.94Å; F44-F73 HydrophobicContact CD2-CZ 4.32Å; F44-F73 HydrophobicContact CE1-CE2 4.31Å; F44-F73 AromaticContact CG-CE2 3.7Å; F44-F73 HydrophobicContact CG-CE2 3.7Å; F44-F73 AromaticContact CG-CZ 3.69Å; F44-F73 HydrophobicContact CG-CZ 3.69Å; F44-N93 CarbonylContact C-O 3.38Å; F44-N93 WeakPolarHBondContact CA-O 3.36Å; F44-L95 HydrophobicContact CE2-CB 4.32Å; F44-L95 HydrophobicContact CZ-CB 3.78Å | ||
| 45 | Q | 92.6 | Very high | 89 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 145.7 | 178 | -63.3 | -176.5 | 7.4 | 0 | 0 | 111 | N43 N93 V94 L95 | N43-Q45 PolarHBondContact O-N 3.41Å; Q45-N93 PolarHBondContact N-O 2.69Å; Q45-V94 VanDerWaalsContact O-CA 3.31Å; Q45-V94 WeakPolarHBondContact O-CA 3.37Å; Q45-L95 PolarHBondContact O-N 3.22Å |
| 46 | F | 94.3 | Very high | 89.5 | Confident | 27 Ų | 27 | 68.4 Ų | 68.4 | 12% | 0.118 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 138.3 | 163.7 | -65 | -89.8 | 0 | 0 | 0 | 108.3 | F44 F65 R69 L72 L95 | F44-F46 HydrophobicContact CD1-CE2 4.46Å; F44-F46 HydrophobicContact CE1-CD2 4.02Å; F44-F46 HydrophobicContact CE1-CE1 4.28Å; F44-F46 AromaticContact CE1-CE2 3.68Å; F44-F46 HydrophobicContact CE1-CE2 3.68Å; F44-F46 HydrophobicContact CE1-CG 4.45Å; F44-F46 AromaticContact CE1-CZ 3.81Å; F44-F46 HydrophobicContact CE1-CZ 3.81Å; F44-F46 HydrophobicContact CZ-CZ 4.38Å; F46-F65 HydrophobicContact CB-CB 3.84Å; F46-F65 HydrophobicContact CB-CD1 3.58Å; F46-F65 HydrophobicContact CB-CD2 3.68Å; F46-F65 HydrophobicContact CB-CE1 4.02Å; F46-F65 HydrophobicContact CB-CE2 4.07Å; F46-F65 HydrophobicContact CB-CG 3.41Å; F46-F65 VanDerWaalsContact CB-CG 3.41Å; F46-F65 HydrophobicContact CB-CZ 4.24Å; F46-F65 HydrophobicContact CD1-CD1 4.11Å; F46-F65 HydrophobicContact CD1-CE1 4.47Å; F46-F65 HydrophobicContact CD2-CB 4.06Å; F46-F65 HydrophobicContact CD2-CG 4.42Å; F46-F65 HydrophobicContact CG-CB 4.13Å; F46-F65 AromaticContact CG-CD1 3.85Å; F46-F65 HydrophobicContact CG-CD1 3.85Å; F46-F65 HydrophobicContact CG-CE1 4.48Å; F46-F65 AromaticContact CG-CG 3.98Å; F46-F65 HydrophobicContact CG-CG 3.98Å; F46-R69 HydrophobicContact CE2-CB 4.14Å; F46-L72 HydrophobicContact CE2-CD1 4.43Å; F46-L72 HydrophobicContact CZ-CD1 3.92Å; F46-L95 WeakPolarHBondContact CA-O 3.27Å; F46-L95 HydrophobicContact CD1-CB 4.16Å; F46-L95 HydrophobicContact CD1-CD2 3.92Å; F46-L95 HydrophobicContact CD1-CG 4.08Å; F46-L95 HydrophobicContact CE1-CB 4.42Å; F46-L95 HydrophobicContact CE1-CD2 3.52Å; F46-L95 HydrophobicContact CE1-CG 4.2Å |
| 47 | Q | 94.8 | Very high | 89.8 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148.6 | 178.6 | -68.9 | -177.7 | 13.2 | 0 | 0 | 110.6 | V94 L95 V96 V97 | Q47-V94 HydrophobicContact CB-CG1 3.9Å; Q47-V94 VanDerWaalsContact CD-CG1 3.48Å; Q47-V94 HydrophobicContact CG-CG1 3.72Å; Q47-L95 PolarHBondContact N-O 3.29Å; Q47-V96 CarbonylContact O-C 3.4Å; Q47-V96 WeakPolarHBondContact O-CA 3.25Å; Q47-V97 PolarHBondContact O-N 3.19Å |
| 48 | Y | 95.3 | Very high | 90.1 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 13% | 0.129 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 140.4 | 169.6 | -67.7 | -90.6 | 0 | 0 | 0 | 109.8 | A54 P56 L61 D62 F65 | Y48-A54 VanDerWaalsContact CD1-O 3.28Å; Y48-A54 WeakPolarHBondContact CD1-O 3.2Å; Y48-A54 HydrophobicContact CE1-CB 4.44Å; Y48-P56 HydrophobicContact CD2-CG 3.76Å; Y48-P56 HydrophobicContact CE2-CB 4.36Å; Y48-P56 HydrophobicContact CE2-CG 4.02Å; Y48-P56 HydrophobicContact CG-CG 4.49Å; Y48-L61 HydrophobicContact CD1-CD1 4.42Å; Y48-L61 HydrophobicContact CE1-CB 3.91Å; Y48-L61 HydrophobicContact CE1-CD1 3.63Å; Y48-L61 HydrophobicContact CE1-CG 4.43Å; Y48-L61 WeakPolarHBondContact OH-CB 3.33Å; Y48-D62 VanDerWaalsContact CE2-OD1 3.3Å; Y48-D62 WeakPolarHBondContact CE2-OD1 3.38Å; Y48-D62 VanDerWaalsContact OH-CG 3.29Å; Y48-D62 PolarHBondContact OH-N 3.44Å; Y48-D62 PolarHBondContact OH-OD1 3.47Å; Y48-F65 AromaticContact CD2-CE2 3.86Å; Y48-F65 HydrophobicContact CD2-CE2 3.86Å; Y48-F65 HydrophobicContact CE1-CE2 4.25Å; Y48-F65 HydrophobicContact CE1-CZ 4.28Å; Y48-F65 HydrophobicContact CE2-CD2 4.24Å; Y48-F65 AromaticContact CE2-CE2 3.47Å; Y48-F65 HydrophobicContact CE2-CE2 3.47Å; Y48-F65 VanDerWaalsContact CE2-CE2 3.47Å; Y48-F65 HydrophobicContact CE2-CZ 4.28Å; Y48-F65 HydrophobicContact CG-CE2 4.41Å; Y48-F65 AromaticContact CZ-CE2 3.68Å |
| 49 | D | 95.3 | Very high | 90.2 | Very high | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.203 | 36% | 0.359 | C | S | . | . | trans | -68.6 | 144.1 | 167.8 | -170.6 | 69.9 | 0 | 0 | 0 | 110.8 | S51 S52 Q55 V96 V97 | D49-S51 PolarHBondContact O-N 3.19Å; D49-S51 WeakPolarHBondContact OD2-CA 3.31Å; D49-S51 WeakPolarHBondContact OD2-CB 3.36Å; D49-S51 PolarHBondContact OD2-N 3.1Å; D49-S51 PolarHBondContact OD2-OG 3.44Å; D49-S52 WeakPolarHBondContact O-CB 3.32Å; D49-S52 PolarHBondContact O-N 2.85Å; D49-Q55 PolarHBondContact O-NE2 2.72Å; D49-V96 HydrophobicContact CB-CG1 3.61Å; D49-V97 PolarHBondContact N-O 3.24Å | ||
| 50 | V | 92.4 | Very high | 90.4 | Very high | 140 Ų | 140 | 58.4 Ų | 58.4 | 85% | 0.848 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27.2 | -180 | -70.4 | 0 | 0 | 0 | 0 | 113 | ||
| 51 | S | 92.3 | Very high | 90.9 | Very high | 98 Ų | 98 | 54.7 Ų | 54.7 | 69% | 0.685 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 1.8 | 178.9 | 71.1 | 0 | 0 | 0 | 0 | 113.4 | D49 | D49-S51 PolarHBondContact O-N 3.19Å; D49-S51 WeakPolarHBondContact OD2-CA 3.31Å; D49-S51 WeakPolarHBondContact OD2-CB 3.36Å; D49-S51 PolarHBondContact OD2-N 3.1Å; D49-S51 PolarHBondContact OD2-OG 3.44Å |
| 52 | S | 93.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | trans | -69.1 | 139 | -178.9 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | D49 A54 Q55 V99 | D49-S52 WeakPolarHBondContact O-CB 3.32Å; D49-S52 PolarHBondContact O-N 2.85Å; S52-A54 WeakPolarHBondContact CB-O 3.14Å; S52-A54 PolarHBondContact O-N 3.19Å; S52-A54 PolarHBondContact OG-N 3.39Å; S52-A54 PolarHBondContact OG-O 2.97Å; S52-Q55 PolarHBondContact O-NE2 2.8Å; S52-V99 PolarHBondContact OG-N 3.43Å; S52-V99 PolarHBondContact OG-O 3.43Å | ||
| 53 | A | 91.6 | Very high | 91.5 | Very high | 46 Ų | 46 | 51.1 Ų | 51.1 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -66.5 | -24.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | V99 V100 P102 | A53-V99 PolarHBondContact N-O 3.33Å; A53-V100 VanDerWaalsContact CB-O 3.26Å; A53-V100 WeakPolarHBondContact CB-O 3.08Å; A53-P102 HydrophobicContact CB-CB 4.27Å |
| 54 | A | 91.3 | Very high | 91.8 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | trans | -95.3 | 135.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y48 S52 L61 V99 V132 | Y48-A54 VanDerWaalsContact CD1-O 3.28Å; Y48-A54 WeakPolarHBondContact CD1-O 3.2Å; Y48-A54 HydrophobicContact CE1-CB 4.44Å; S52-A54 WeakPolarHBondContact CB-O 3.14Å; S52-A54 PolarHBondContact O-N 3.19Å; S52-A54 PolarHBondContact OG-N 3.39Å; S52-A54 PolarHBondContact OG-O 2.97Å; A54-L61 HydrophobicContact CB-CD1 3.66Å; A54-V99 HydrophobicContact CB-CB 4.15Å; A54-V99 HydrophobicContact CB-CG2 4.29Å; A54-V132 HydrophobicContact CB-CG2 4.38Å | ||
| 55 | Q | 91.6 | Very high | 91.9 | Very high | 86 Ų | 86 | 47.5 Ų | 47.5 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | trans | -132 | 169.8 | -176.3 | -71.1 | -60.3 | -38.6 | 0 | 0 | 109.6 | D49 S52 G57 C58 | D49-Q55 PolarHBondContact O-NE2 2.72Å; S52-Q55 PolarHBondContact O-NE2 2.8Å; Q55-G57 PolarHBondContact O-N 3.32Å; Q55-C58 WeakPolarHBondContact O-CB 3.17Å; Q55-C58 PolarHBondContact O-N 3.06Å | ||
| 56 | P | 92.2 | Very high | 91.8 | Very high | 93 Ų | 93 | 49.1 Ų | 49.1 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 134.5 | 176.3 | -27.5 | 35 | 0 | 0 | 0 | 112.2 | Y48 | Y48-P56 HydrophobicContact CD2-CG 3.76Å; Y48-P56 HydrophobicContact CE2-CB 4.36Å; Y48-P56 HydrophobicContact CE2-CG 4.02Å; Y48-P56 HydrophobicContact CG-CG 4.49Å |
| 57 | G | 88.3 | Confident | 91.6 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 66% | 0.66 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.5 | -5.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q55 S59 D62 | Q55-G57 PolarHBondContact O-N 3.32Å; G57-S59 PolarHBondContact O-N 3.18Å; G57-D62 WeakPolarHBondContact CA-OD2 3.31Å; G57-D62 PolarHBondContact N-OD2 3.37Å |
| 58 | C | 90.2 | Very high | 91.3 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | trans | -77.5 | 98.6 | 168.1 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | Q55 V60 L61 D62 C104 | Q55-C58 WeakPolarHBondContact O-CB 3.17Å; Q55-C58 PolarHBondContact O-N 3.06Å; C58-V60 PolarHBondContact O-N 3.5Å; C58-V60 VanDerWaalsContact O-N 3.13Å; C58-L61 HydrophobicContact CB-CB 4.34Å; C58-L61 PolarHBondContact O-N 3.44Å; C58-L61 VanDerWaalsContact O-N 3.09Å; C58-D62 PolarHBondContact N-OD2 2.87Å; C58-D62 WeakPolarHBondContact O-CB 3.16Å; C58-D62 PolarHBondContact O-N 2.82Å; C58-C104 WeakPolarHBondContact CA-SG 3.19Å; C58-C104 HydrophobicContact CB-CB 3.82Å; C58-C104 WeakPolarHBondContact CB-SG 3.1Å; C58-C104 WeakPolarHBondContact SG-CB 3.01Å; C58-C104 CovalentContact SG-SG 2.01Å; C58-C104 PolarHBondContact SG-SG 3.1Å | ||
| 59 | S | 87.3 | Confident | 91.1 | Very high | 45 Ų | 45 | 51.4 Ų | 51.4 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -47.9 | -43.9 | -178.9 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | G57 L61 E63 N105 | G57-S59 PolarHBondContact O-N 3.18Å; S59-L61 PolarHBondContact O-N 2.81Å; S59-E63 VanDerWaalsContact O-CB 3.31Å; S59-E63 WeakPolarHBondContact O-CB 3.32Å; S59-E63 WeakPolarHBondContact O-CG 2.91Å; S59-E63 PolarHBondContact O-N 3.13Å; S59-N105 PolarHBondContact OG-OD1 3.27Å; S59-N105 VanDerWaalsContact OG-OD1 3.07Å |
| 60 | V | 89.3 | Confident | 90.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -48.6 | -179.5 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | C58 A64 C104 V132 T139 Q142 | C58-V60 PolarHBondContact O-N 3.5Å; C58-V60 VanDerWaalsContact O-N 3.13Å; V60-A64 WeakPolarHBondContact O-CB 3.03Å; V60-A64 PolarHBondContact O-N 3.01Å; V60-A64 VanDerWaalsContact O-N 3.1Å; V60-C104 WeakPolarHBondContact CG2-O 3.04Å; V60-V132 HydrophobicContact CB-CG1 3.8Å; V60-V132 HydrophobicContact CG1-CG1 3.47Å; V60-V132 VanDerWaalsContact CG1-CG1 3.47Å; V60-T139 HydrophobicContact CB-CG2 4.45Å; V60-T139 HydrophobicContact CG2-CG2 4.14Å; V60-Q142 VanDerWaalsContact CG2-NE2 3.28Å |
| 61 | L | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -78.7 | -40.9 | -176.6 | -70.7 | 177.8 | 0 | 0 | 0 | 111.6 | Y48 A54 C58 S59 E63 A64 F65 V99 V132 A135 L136 | Y48-L61 HydrophobicContact CD1-CD1 4.42Å; Y48-L61 HydrophobicContact CE1-CB 3.91Å; Y48-L61 HydrophobicContact CE1-CD1 3.63Å; Y48-L61 HydrophobicContact CE1-CG 4.43Å; Y48-L61 WeakPolarHBondContact OH-CB 3.33Å; A54-L61 HydrophobicContact CB-CD1 3.66Å; C58-L61 HydrophobicContact CB-CB 4.34Å; C58-L61 PolarHBondContact O-N 3.44Å; C58-L61 VanDerWaalsContact O-N 3.09Å; S59-L61 PolarHBondContact O-N 2.81Å; L61-E63 PolarHBondContact O-N 3.17Å; L61-A64 PolarHBondContact O-N 3.05Å; L61-A64 VanDerWaalsContact O-N 3.17Å; L61-F65 HydrophobicContact CB-CE1 4.38Å; L61-F65 HydrophobicContact CB-CZ 4.27Å; L61-F65 VanDerWaalsContact O-CD1 3.24Å; L61-F65 WeakPolarHBondContact O-CD1 3.24Å; L61-F65 WeakPolarHBondContact O-CG 3.39Å; L61-F65 PolarHBondContact O-N 3.07Å; L61-V99 HydrophobicContact CD1-CG2 3.98Å; L61-V132 HydrophobicContact CD1-CG1 4.49Å; L61-V132 HydrophobicContact CD1-CG2 4.25Å; L61-V132 HydrophobicContact CD2-CG1 4.05Å; L61-V132 HydrophobicContact CG-CG1 3.93Å; L61-A135 HydrophobicContact CD2-CB 3.99Å; L61-L136 HydrophobicContact CD2-CB 4.28Å; L61-L136 HydrophobicContact CD2-CD1 4.15Å; L61-L136 HydrophobicContact CD2-CG 4.38Å |
| 62 | D | 91.8 | Very high | 90.2 | Very high | 48 Ų | 48 | 53 Ų | 53 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 178.7 | -70.6 | -26.1 | 0 | 0 | 0 | 111.3 | Y48 G57 C58 F65 Q66 | Y48-D62 VanDerWaalsContact CE2-OD1 3.3Å; Y48-D62 WeakPolarHBondContact CE2-OD1 3.38Å; Y48-D62 VanDerWaalsContact OH-CG 3.29Å; Y48-D62 PolarHBondContact OH-N 3.44Å; Y48-D62 PolarHBondContact OH-OD1 3.47Å; G57-D62 WeakPolarHBondContact CA-OD2 3.31Å; G57-D62 PolarHBondContact N-OD2 3.37Å; C58-D62 PolarHBondContact N-OD2 2.87Å; C58-D62 WeakPolarHBondContact O-CB 3.16Å; C58-D62 PolarHBondContact O-N 2.82Å; D62-F65 PolarHBondContact O-N 2.01Å; D62-Q66 PolarHBondContact O-N 2.8Å |
| 63 | E | 90 | Very high | 89.9 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 29% | 0.29 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.7 | -34.4 | 175.4 | -70.9 | -175.3 | -168.4 | 0 | 0 | 112.5 | S59 L61 F65 Q66 R67 T139 P140 | S59-E63 VanDerWaalsContact O-CB 3.31Å; S59-E63 WeakPolarHBondContact O-CB 3.32Å; S59-E63 WeakPolarHBondContact O-CG 2.91Å; S59-E63 PolarHBondContact O-N 3.13Å; L61-E63 PolarHBondContact O-N 3.17Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-Q66 PolarHBondContact O-N 2.84Å; E63-R67 VanDerWaalsContact O-CB 3.27Å; E63-R67 WeakPolarHBondContact O-CB 3.28Å; E63-R67 PolarHBondContact O-N 2.72Å; E63-T139 WeakPolarHBondContact OE2-CB 3.03Å; E63-T139 VanDerWaalsContact OE2-CG2 3.25Å; E63-T139 WeakPolarHBondContact OE2-CG2 3.22Å; E63-P140 WeakPolarHBondContact OE2-CD 3.28Å |
| 64 | A | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V60 L61 Q66 R67 Y68 L136 | V60-A64 WeakPolarHBondContact O-CB 3.03Å; V60-A64 PolarHBondContact O-N 3.01Å; V60-A64 VanDerWaalsContact O-N 3.1Å; L61-A64 PolarHBondContact O-N 3.05Å; L61-A64 VanDerWaalsContact O-N 3.17Å; A64-Q66 VanDerWaalsContact C-N 3.33Å; A64-Q66 PolarHBondContact O-N 2.88Å; A64-R67 PolarHBondContact O-N 3.4Å; A64-Y68 HydrophobicContact CB-CD2 4.26Å; A64-Y68 HydrophobicContact CB-CE2 4.47Å; A64-Y68 WeakPolarHBondContact O-CB 3.21Å; A64-Y68 WeakPolarHBondContact O-CD2 3.41Å; A64-Y68 PolarHBondContact O-N 3.03Å; A64-L136 HydrophobicContact CB-CB 3.58Å; A64-L136 HydrophobicContact CB-CD1 3.51Å; A64-L136 HydrophobicContact CB-CG 4.14Å |
| 65 | F | 92.9 | Very high | 88 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 176.2 | -67.5 | -8.6 | 0 | 0 | 0 | 111.4 | F46 Y48 L61 D62 E63 R69 V97 L136 | F46-F65 HydrophobicContact CB-CB 3.84Å; F46-F65 HydrophobicContact CB-CD1 3.58Å; F46-F65 HydrophobicContact CB-CD2 3.68Å; F46-F65 HydrophobicContact CB-CE1 4.02Å; F46-F65 HydrophobicContact CB-CE2 4.07Å; F46-F65 HydrophobicContact CB-CG 3.41Å; F46-F65 VanDerWaalsContact CB-CG 3.41Å; F46-F65 HydrophobicContact CB-CZ 4.24Å; F46-F65 HydrophobicContact CD1-CD1 4.11Å; F46-F65 HydrophobicContact CD1-CE1 4.47Å; F46-F65 HydrophobicContact CD2-CB 4.06Å; F46-F65 HydrophobicContact CD2-CG 4.42Å; F46-F65 HydrophobicContact CG-CB 4.13Å; F46-F65 AromaticContact CG-CD1 3.85Å; F46-F65 HydrophobicContact CG-CD1 3.85Å; F46-F65 HydrophobicContact CG-CE1 4.48Å; F46-F65 AromaticContact CG-CG 3.98Å; F46-F65 HydrophobicContact CG-CG 3.98Å; Y48-F65 AromaticContact CD2-CE2 3.86Å; Y48-F65 HydrophobicContact CD2-CE2 3.86Å; Y48-F65 HydrophobicContact CE1-CE2 4.25Å; Y48-F65 HydrophobicContact CE1-CZ 4.28Å; Y48-F65 HydrophobicContact CE2-CD2 4.24Å; Y48-F65 AromaticContact CE2-CE2 3.47Å; Y48-F65 HydrophobicContact CE2-CE2 3.47Å; Y48-F65 VanDerWaalsContact CE2-CE2 3.47Å; Y48-F65 HydrophobicContact CE2-CZ 4.28Å; Y48-F65 HydrophobicContact CG-CE2 4.41Å; Y48-F65 AromaticContact CZ-CE2 3.68Å; L61-F65 HydrophobicContact CB-CE1 4.38Å; L61-F65 HydrophobicContact CB-CZ 4.27Å; L61-F65 VanDerWaalsContact O-CD1 3.24Å; L61-F65 WeakPolarHBondContact O-CD1 3.24Å; L61-F65 WeakPolarHBondContact O-CG 3.39Å; L61-F65 PolarHBondContact O-N 3.07Å; D62-F65 PolarHBondContact O-N 2.01Å; E63-F65 VanDerWaalsContact C-N 3.34Å; F65-R69 WeakPolarHBondContact O-CB 3.4Å; F65-R69 PolarHBondContact O-N 3.09Å; F65-V97 HydrophobicContact CE1-CB 4.13Å; F65-V97 HydrophobicContact CE1-CG1 4.41Å; F65-V97 HydrophobicContact CE1-CG2 3.71Å; F65-V97 HydrophobicContact CZ-CB 3.97Å; F65-V97 HydrophobicContact CZ-CG1 4.47Å; F65-V97 HydrophobicContact CZ-CG2 3.95Å; F65-L136 HydrophobicContact CD1-CD1 3.48Å; F65-L136 VanDerWaalsContact CD1-CD1 3.48Å; F65-L136 HydrophobicContact CE1-CD1 3.51Å |
| 66 | Q | 90.3 | Very high | 86.6 | Confident | 130 Ų | 130 | 58.3 Ų | 58.3 | 61% | 0.607 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.1 | -50.8 | 175.5 | -66.6 | 178.1 | 5.3 | 0 | 0 | 111.2 | D62 E63 A64 Y68 R69 D70 | D62-Q66 PolarHBondContact O-N 2.8Å; E63-Q66 PolarHBondContact O-N 2.84Å; A64-Q66 VanDerWaalsContact C-N 3.33Å; A64-Q66 PolarHBondContact O-N 2.88Å; Q66-Y68 PolarHBondContact O-N 3.28Å; Q66-R69 WeakPolarHBondContact O-CB 3.39Å; Q66-R69 PolarHBondContact O-N 2.69Å; Q66-D70 PolarHBondContact O-N 2.9Å |
| 67 | R | 89.3 | Confident | 85.3 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 21% | 0.208 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | -178.9 | -178.1 | -178.5 | 65.3 | -124.7 | 0.4 | 113 | E63 A64 R69 D70 L71 R137 G138 | E63-R67 VanDerWaalsContact O-CB 3.27Å; E63-R67 WeakPolarHBondContact O-CB 3.28Å; E63-R67 PolarHBondContact O-N 2.72Å; A64-R67 PolarHBondContact O-N 3.4Å; R67-R69 VanDerWaalsContact C-N 3.34Å; R67-D70 PolarHBondContact O-N 3.49Å; R67-L71 HydrophobicContact CG-CD1 4.4Å; R67-L71 WeakPolarHBondContact O-CG 3.26Å; R67-L71 PolarHBondContact O-N 2.88Å; R67-R137 PolarHBondContact NH2-O 3.27Å; R67-G138 PolarHBondContact NH1-O 3.24Å |
| 68 | Y | 89.6 | Confident | 84.2 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 26% | 0.255 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.5 | -31.1 | 179.5 | -82 | -75.5 | 0 | 0 | 0 | 111.9 | A64 Q66 D70 L71 L72 L136 | A64-Y68 HydrophobicContact CB-CD2 4.26Å; A64-Y68 HydrophobicContact CB-CE2 4.47Å; A64-Y68 WeakPolarHBondContact O-CB 3.21Å; A64-Y68 WeakPolarHBondContact O-CD2 3.41Å; A64-Y68 PolarHBondContact O-N 3.03Å; Q66-Y68 PolarHBondContact O-N 3.28Å; Y68-D70 VanDerWaalsContact C-N 3.34Å; Y68-L71 HydrophobicContact CD1-CD1 4.07Å; Y68-L71 HydrophobicContact CE1-CD1 4.31Å; Y68-L71 PolarHBondContact O-N 2.62Å; Y68-L72 WeakPolarHBondContact O-CB 3.36Å; Y68-L72 VanDerWaalsContact O-CG 3.24Å; Y68-L72 WeakPolarHBondContact O-CG 3.38Å; Y68-L72 PolarHBondContact O-N 2.88Å; Y68-L136 HydrophobicContact CD2-CD1 4.33Å; Y68-L136 HydrophobicContact CD2-CD2 3.68Å; Y68-L136 HydrophobicContact CD2-CG 4.41Å; Y68-L136 HydrophobicContact CE2-CB 4.07Å; Y68-L136 HydrophobicContact CE2-CD2 3.52Å; Y68-L136 HydrophobicContact CE2-CG 4.26Å; Y68-L136 HydrophobicContact CG-CD2 4.44Å |
| 69 | R | 90.2 | Very high | 83 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 26% | 0.264 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 170 | 178 | 160.3 | -174.3 | 65.4 | -7.1 | 111.5 | P41 F44 F46 F65 Q66 R67 L71 L72 F73 | P41-R69 PolarHBondContact O-NH1 3.07Å; P41-R69 PolarHBondContact O-NH2 2.98Å; F44-R69 PolarHBondContact O-NH1 2.84Å; F44-R69 PolarHBondContact O-NH2 2.56Å; F46-R69 HydrophobicContact CE2-CB 4.14Å; F65-R69 WeakPolarHBondContact O-CB 3.4Å; F65-R69 PolarHBondContact O-N 3.09Å; Q66-R69 WeakPolarHBondContact O-CB 3.39Å; Q66-R69 PolarHBondContact O-N 2.69Å; R67-R69 VanDerWaalsContact C-N 3.34Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 3.17Å; R69-L72 PolarHBondContact O-N 3.09Å; R69-F73 HydrophobicContact CG-CD2 4.24Å; R69-F73 WeakPolarHBondContact O-CD2 3.5Å; R69-F73 PolarHBondContact O-N 2.84Å |
| 70 | D | 88.3 | Confident | 81.7 | Confident | 104 Ų | 104 | 77.3 Ų | 77.3 | 56% | 0.556 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.7 | -32 | 175.7 | -66.2 | -19.3 | 0 | 0 | 0 | 112.4 | Q66 R67 Y68 G74 | Q66-D70 PolarHBondContact O-N 2.9Å; R67-D70 PolarHBondContact O-N 3.49Å; Y68-D70 VanDerWaalsContact C-N 3.34Å; D70-G74 WeakPolarHBondContact O-CA 3.45Å; D70-G74 PolarHBondContact O-N 3.06Å |
| 71 | L | 86.6 | Confident | 80.3 | Confident | 124 Ų | 124 | 81 Ų | 81 | 65% | 0.649 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -72 | -38.7 | 174.2 | -73.2 | 170.1 | 0 | 0 | 0 | 112.7 | R67 Y68 R69 | R67-L71 HydrophobicContact CG-CD1 4.4Å; R67-L71 WeakPolarHBondContact O-CG 3.26Å; R67-L71 PolarHBondContact O-N 2.88Å; Y68-L71 HydrophobicContact CD1-CD1 4.07Å; Y68-L71 HydrophobicContact CE1-CD1 4.31Å; Y68-L71 PolarHBondContact O-N 2.62Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 3.17Å |
| 72 | L | 86.1 | Confident | 78.5 | Confident | 83 Ų | 83 | 91.5 Ų | 91.5 | 44% | 0.435 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.3 | -38.8 | -178.9 | -73.4 | 171.5 | 0 | 0 | 0 | 112.1 | F44 F46 Y68 R69 | F44-L72 HydrophobicContact CE1-CD1 4.22Å; F46-L72 HydrophobicContact CE2-CD1 4.43Å; F46-L72 HydrophobicContact CZ-CD1 3.92Å; Y68-L72 WeakPolarHBondContact O-CB 3.36Å; Y68-L72 VanDerWaalsContact O-CG 3.24Å; Y68-L72 WeakPolarHBondContact O-CG 3.38Å; Y68-L72 PolarHBondContact O-N 2.88Å; R69-L72 PolarHBondContact O-N 3.09Å |
| 73 | F | 87.2 | Confident | 76.9 | Confident | 21 Ų | 21 | 94 Ų | 94 | 9% | 0.092 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -117.6 | -14.8 | -173 | -54.5 | -65.1 | 0 | 0 | 0 | 114.1 | L39 P41 F44 R69 W78 | L39-F73 HydrophobicContact CB-CE1 4.31Å; L39-F73 HydrophobicContact CB-CZ 4.27Å; P41-F73 HydrophobicContact CB-CB 4.13Å; P41-F73 HydrophobicContact CB-CD1 3.64Å; P41-F73 HydrophobicContact CB-CE1 4.2Å; P41-F73 HydrophobicContact CB-CG 3.88Å; P41-F73 HydrophobicContact CG-CD1 3.59Å; P41-F73 HydrophobicContact CG-CE1 4.01Å; P41-F73 HydrophobicContact CG-CG 4.31Å; F44-F73 HydrophobicContact CB-CE2 3.67Å; F44-F73 HydrophobicContact CB-CZ 3.61Å; F44-F73 AromaticContact CD1-CE2 3.5Å; F44-F73 HydrophobicContact CD1-CE2 3.5Å; F44-F73 AromaticContact CD1-CZ 3.94Å; F44-F73 HydrophobicContact CD1-CZ 3.94Å; F44-F73 HydrophobicContact CD2-CZ 4.32Å; F44-F73 HydrophobicContact CE1-CE2 4.31Å; F44-F73 AromaticContact CG-CE2 3.7Å; F44-F73 HydrophobicContact CG-CE2 3.7Å; F44-F73 AromaticContact CG-CZ 3.69Å; F44-F73 HydrophobicContact CG-CZ 3.69Å; R69-F73 HydrophobicContact CG-CD2 4.24Å; R69-F73 WeakPolarHBondContact O-CD2 3.5Å; R69-F73 PolarHBondContact O-N 2.84Å; F73-W78 VanDerWaalsContact CA-CZ2 3.48Å; F73-W78 HydrophobicContact CB-CZ2 4.4Å; F73-W78 WeakPolarHBondContact O-CZ2 3.05Å; F73-W78 PolarHBondContact O-NE1 2.89Å |
| 74 | G | 78.1 | Confident | 74.9 | Confident | 43 Ų | 43 | 97.7 Ų | 97.7 | 44% | 0.443 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -163.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | D70 | D70-G74 WeakPolarHBondContact O-CA 3.45Å; D70-G74 PolarHBondContact O-N 3.06Å |
| 75 | S | 64.8 | Low | 72.9 | Confident | 138 Ų | 138 | 100.2 Ų | 100.2 | 97% | 0.965 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 13.9 | -179.7 | -43.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 76 | G | 64.1 | Low | 70.8 | Confident | 53 Ų | 53 | 110 Ų | 110 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -95.3 | 159.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W78 | G76-W78 PolarHBondContact O-N 2.74Š|
| 77 | S | 63.5 | Low | 69.1 | Low | 123 Ų | 123 | 114 Ų | 114 | 86% | 0.86 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 119.8 | 170.2 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | P79 | S77-P79 WeakPolarHBondContact O-CD 3.12Š|
| 78 | W | 65.1 | Low | 67.4 | Low | 145 Ų | 145 | 120.5 Ų | 120.5 | 55% | 0.549 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -86.5 | 118 | 176.8 | -69.6 | 81.1 | 0 | 0 | 0 | 110.4 | P41 F73 G76 R80 | P41-W78 HydrophobicContact CB-CG 4.42Å; P41-W78 HydrophobicContact CG-CB 3.94Å; P41-W78 HydrophobicContact CG-CD2 4.04Å; P41-W78 HydrophobicContact CG-CG 3.59Å; F73-W78 VanDerWaalsContact CA-CZ2 3.48Å; F73-W78 HydrophobicContact CB-CZ2 4.4Å; F73-W78 WeakPolarHBondContact O-CZ2 3.05Å; F73-W78 PolarHBondContact O-NE1 2.89Å; G76-W78 PolarHBondContact O-N 2.74Å; W78-R80 PolarHBondContact O-N 3.33Å |
| 79 | P | 64.4 | Low | 66 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 134.7 | 174 | 25 | -30.4 | 0 | 0 | 0 | 109.2 | S77 | S77-P79 WeakPolarHBondContact O-CD 3.12Š|
| 80 | R | 60.7 | Low | 65.2 | Low | 228 Ų | 228 | 119.8 Ų | 119.8 | 86% | 0.86 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 129.1 | 170.6 | -80 | -177.5 | 176 | -176.2 | -1.7 | 108 | W78 Y82 | W78-R80 PolarHBondContact O-N 3.33Å; R80-Y82 PolarHBondContact O-N 3.46Å; R80-Y82 VanDerWaalsContact O-N 3.17Å |
| 81 | P | 59.7 | Low | 65 | Low | 76 Ų | 76 | 119.4 Ų | 119.4 | 49% | 0.494 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 125 | 176.9 | 22.1 | -29.8 | 0 | 0 | 0 | 108.9 | L83 | P81-L83 HydrophobicContact CB-CD2 4.39Å; P81-L83 HydrophobicContact CB-CG 4.19Å; P81-L83 HydrophobicContact CG-CD1 4.45Å; P81-L83 HydrophobicContact CG-CG 4.33Å; P81-L83 PolarHBondContact O-N 2.97Å |
| 82 | Y | 53.7 | Low | 65 | Low | 222 Ų | 222 | 114.6 Ų | 114.6 | 87% | 0.871 | 60% | 0.603 | S | S | * | * | trans | -70.5 | 86 | 170.5 | -114.1 | -93.5 | 0 | 0 | 0 | 107.7 | R80 T84 | R80-Y82 PolarHBondContact O-N 3.46Å; R80-Y82 VanDerWaalsContact O-N 3.17Å; Y82-T84 PolarHBondContact O-N 3.28Å; Y82-T84 VanDerWaalsContact O-N 3.09Å | ||
| 83 | L | 57.9 | Low | 65.1 | Low | 100 Ų | 100 | 112.2 Ų | 112.2 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | trans | -80.7 | 85.5 | 179.3 | -68.5 | 171.2 | 0 | 0 | 0 | 109.5 | P81 G85 T89 | P81-L83 HydrophobicContact CB-CD2 4.39Å; P81-L83 HydrophobicContact CB-CG 4.19Å; P81-L83 HydrophobicContact CG-CD1 4.45Å; P81-L83 HydrophobicContact CG-CG 4.33Å; P81-L83 PolarHBondContact O-N 2.97Å; L83-G85 VanDerWaalsContact C-N 3.31Å; L83-G85 PolarHBondContact O-N 3.38Å; L83-T89 HydrophobicContact CD1-CG2 4.45Å | ||
| 84 | T | 48.1 | Very low | 65.3 | Low | 140 Ų | 140 | 113.6 Ų | 113.6 | 86% | 0.859 | 60% | 0.601 | S | S | * | * | trans | -75.9 | 85.4 | 164.5 | 48 | 0 | 0 | 0 | 0 | 109.3 | Y82 | Y82-T84 PolarHBondContact O-N 3.28Å; Y82-T84 VanDerWaalsContact O-N 3.09Å | ||
| 85 | G | 50 | Low | 66.1 | Low | 53 Ų | 53 | 112.6 Ų | 112.6 | 55% | 0.546 | 59% | 0.585 | S | S | . | * | S | Bend | trans | 148.3 | 125.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | L83 R87 | L83-G85 VanDerWaalsContact C-N 3.31Å; L83-G85 PolarHBondContact O-N 3.38Å; G85-R87 PolarHBondContact O-N 2.94Å |
| 86 | K | 48.1 | Very low | 67.5 | Low | 225 Ų | 225 | 107.7 Ų | 107.7 | 98% | 0.978 | 55% | 0.55 | S | S | * | . | trans | -66.7 | 76.2 | 169 | -66.2 | -177.4 | 179.7 | -179.2 | 0 | 109.8 | ||||
| 87 | R | 55.5 | Low | 69.1 | Low | 213 Ų | 213 | 105.2 Ų | 105.2 | 80% | 0.804 | 52% | 0.524 | S | S | * | . | trans | -96.7 | 132.5 | 157 | -73.8 | -174.6 | 172.8 | -170.5 | -3 | 106.3 | G85 T89 | G85-R87 PolarHBondContact O-N 2.94Å; R87-T89 PolarHBondContact O-N 2.98Å | ||
| 88 | H | 52.8 | Low | 70.6 | Confident | 191 Ų | 191 | 99.9 Ų | 99.9 | 88% | 0.884 | 49% | 0.487 | S | S | * | . | trans | -57.8 | 96.4 | 164.8 | -90.1 | -121.3 | 0 | 0 | 0 | 106.9 | L90 | H88-L90 PolarHBondContact O-N 2.81Š| ||
| 89 | T | 60.8 | Low | 72 | Confident | 49 Ų | 49 | 93 Ų | 93 | 30% | 0.301 | 46% | 0.461 | S | S | . | . | trans | -82.8 | 110.6 | 173.7 | 45 | 0 | 0 | 0 | 0 | 106.7 | V38 L83 R87 E91 | V38-T89 HydrophobicContact CG2-CG2 3.91Å; L83-T89 HydrophobicContact CD1-CG2 4.45Å; R87-T89 PolarHBondContact O-N 2.98Å; T89-E91 PolarHBondContact O-N 3.45Å | ||
| 90 | L | 73.7 | Confident | 73.4 | Confident | 71 Ų | 71 | 91.3 Ų | 91.3 | 37% | 0.372 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 119.7 | 174.2 | -66.2 | 169.7 | 0 | 0 | 0 | 107.7 | Y37 V38 H88 D122 | Y37-L90 WeakPolarHBondContact CA-O 3.47Å; Y37-L90 HydrophobicContact CD1-CB 3.81Å; Y37-L90 HydrophobicContact CE1-CB 3.97Å; Y37-L90 HydrophobicContact CE1-CD1 4.35Å; V38-L90 PolarHBondContact N-O 2.91Å; H88-L90 PolarHBondContact O-N 2.81Å; L90-D122 HydrophobicContact CD1-CB 4.3Å; L90-D122 WeakPolarHBondContact CD1-OD1 3.23Å |
| 91 | E | 84.3 | Confident | 74.8 | Confident | 97 Ų | 97 | 82.6 Ų | 82.6 | 45% | 0.453 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 135 | -178.2 | -52.9 | -172.1 | 160.3 | 0 | 0 | 108.8 | Y40 T89 | Y40-E91 HydrophobicContact CE2-CB 4.38Å; Y40-E91 HydrophobicContact CE2-CG 3.86Å; Y40-E91 WeakPolarHBondContact CE2-OE1 3.45Å; Y40-E91 PolarHBondContact OH-OE1 2.85Å; Y40-E91 VanDerWaalsContact OH-OE1 3.1Å; T89-E91 PolarHBondContact O-N 3.45Å |
| 92 | K | 86.4 | Confident | 76 | Confident | 23 Ų | 23 | 84.3 Ų | 84.3 | 10% | 0.1 | 43% | 0.431 | C | S | . | . | trans | -119.2 | 100.4 | 172.6 | -69.8 | -62.3 | -168.9 | 176.1 | 0 | 108.3 | Y37 V38 L39 N121 D122 C125 | Y37-K92 HydrophobicContact CD1-CD 4.45Å; Y37-K92 HydrophobicContact CD1-CG 3.66Å; Y37-K92 HydrophobicContact CE1-CG 4.39Å; Y37-K92 HydrophobicContact CG-CG 3.86Å; V38-K92 PolarHBondContact O-N 3.26Å; L39-K92 HydrophobicContact CD2-CB 3.79Å; L39-K92 WeakPolarHBondContact CD2-O 3.04Å; K92-N121 WeakPolarHBondContact CE-O 3.25Å; K92-N121 PolarHBondContact NZ-O 3.41Å; K92-D122 PolarHBondContact NZ-O 2.62Å; K92-C125 HydrophobicContact CD-CB 4.29Å | ||
| 93 | N | 87.6 | Confident | 77.3 | Confident | 33 Ų | 33 | 75 Ų | 75 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | trans | -101.2 | -10.2 | -177.6 | -61.9 | -31.4 | 0 | 0 | 0 | 112.3 | F44 Q45 | F44-N93 CarbonylContact C-O 3.38Å; F44-N93 WeakPolarHBondContact CA-O 3.36Å; Q45-N93 PolarHBondContact N-O 2.69Å | ||
| 94 | V | 91.9 | Very high | 78.4 | Confident | 49 Ų | 49 | 71 Ų | 71 | 30% | 0.297 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.3 | 179.3 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | Q45 Q47 V96 C125 | Q45-V94 VanDerWaalsContact O-CA 3.31Å; Q45-V94 WeakPolarHBondContact O-CA 3.37Å; Q47-V94 HydrophobicContact CB-CG1 3.9Å; Q47-V94 VanDerWaalsContact CD-CG1 3.48Å; Q47-V94 HydrophobicContact CG-CG1 3.72Å; V94-V96 HydrophobicContact CG1-CG2 3.97Å; V94-C125 WeakPolarHBondContact O-CB 3.09Å |
| 95 | L | 94.2 | Very high | 79.7 | Confident | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 113.5 | 164.2 | 170.3 | 54.8 | 0 | 0 | 0 | 107.7 | F44 Q45 F46 Q47 L118 C125 L127 | F44-L95 HydrophobicContact CE2-CB 4.32Å; F44-L95 HydrophobicContact CZ-CB 3.78Å; Q45-L95 PolarHBondContact O-N 3.22Å; F46-L95 WeakPolarHBondContact CA-O 3.27Å; F46-L95 HydrophobicContact CD1-CB 4.16Å; F46-L95 HydrophobicContact CD1-CD2 3.92Å; F46-L95 HydrophobicContact CD1-CG 4.08Å; F46-L95 HydrophobicContact CE1-CB 4.42Å; F46-L95 HydrophobicContact CE1-CD2 3.52Å; F46-L95 HydrophobicContact CE1-CG 4.2Å; Q47-L95 PolarHBondContact N-O 3.29Å; L95-L118 HydrophobicContact CD1-CD1 4.2Å; L95-C125 HydrophobicContact CD1-CB 4.49Å; L95-C125 WeakPolarHBondContact CD1-O 3.44Å; L95-L127 HydrophobicContact CD1-CB 4.26Å |
| 96 | V | 95.4 | Very high | 81.2 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 22% | 0.218 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 136.1 | 179.1 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | Q47 D49 V94 C125 L126 L127 | Q47-V96 CarbonylContact O-C 3.4Å; Q47-V96 WeakPolarHBondContact O-CA 3.25Å; D49-V96 HydrophobicContact CB-CG1 3.61Å; V94-V96 HydrophobicContact CG1-CG2 3.97Å; V96-C125 PolarHBondContact N-O 2.92Å; V96-L126 HydrophobicContact CB-CD1 4.09Å; V96-L126 HydrophobicContact CG1-CD1 3.97Å; V96-L126 CarbonylContact O-C 3.52Å; V96-L126 WeakPolarHBondContact O-CA 3.22Å; V96-L127 PolarHBondContact O-N 2.81Å |
| 97 | V | 96.1 | Very high | 82.8 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.1 | 178.7 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | Q47 D49 F65 L127 A135 | Q47-V97 PolarHBondContact O-N 3.19Å; D49-V97 PolarHBondContact N-O 3.24Å; F65-V97 HydrophobicContact CE1-CB 4.13Å; F65-V97 HydrophobicContact CE1-CG1 4.41Å; F65-V97 HydrophobicContact CE1-CG2 3.71Å; F65-V97 HydrophobicContact CZ-CB 3.97Å; F65-V97 HydrophobicContact CZ-CG1 4.47Å; F65-V97 HydrophobicContact CZ-CG2 3.95Å; V97-L127 WeakPolarHBondContact CA-O 3.41Å; V97-L127 HydrophobicContact CG1-CD2 4.29Å; V97-L127 HydrophobicContact CG2-CB 4.34Å; V97-A135 HydrophobicContact CG1-CB 4Å |
| 98 | S | 95.6 | Very high | 84.1 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121 | 178.3 | -169.2 | 0 | 0 | 0 | 0 | 111 | L127 L128 S129 | S98-L127 PolarHBondContact N-O 3.1Å; S98-L128 WeakPolarHBondContact O-CA 3.24Å; S98-S129 PolarHBondContact O-N 3.1Å |
| 99 | V | 95.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132 | 170.9 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | S52 A53 A54 L61 T101 S129 V132 A135 | S52-V99 PolarHBondContact OG-N 3.43Å; S52-V99 PolarHBondContact OG-O 3.43Å; A53-V99 PolarHBondContact N-O 3.33Å; A54-V99 HydrophobicContact CB-CB 4.15Å; A54-V99 HydrophobicContact CB-CG2 4.29Å; L61-V99 HydrophobicContact CD1-CG2 3.98Å; V99-T101 WeakPolarHBondContact CG1-O 3.36Å; V99-S129 WeakPolarHBondContact CA-O 3.39Å; V99-V132 HydrophobicContact CG1-CG2 4.09Å; V99-V132 HydrophobicContact CG2-CG2 4.24Å; V99-A135 HydrophobicContact CG2-CB 4.2Å |
| 100 | V | 94 | Very high | 86.7 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -79.7 | -46 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | A53 L128 S129 E130 | A53-V100 VanDerWaalsContact CB-O 3.26Å; A53-V100 WeakPolarHBondContact CB-O 3.08Å; V100-L128 HydrophobicContact CG2-CD1 4.14Å; V100-S129 PolarHBondContact N-O 2.92Å; V100-S129 VanDerWaalsContact N-O 3.1Å; V100-E130 PolarHBondContact N-O 3.15Å |
| 101 | T | 90.4 | Very high | 87.3 | Confident | 44 Ų | 44 | 66 Ų | 66 | 27% | 0.27 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -93.3 | 139.4 | -174.4 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | V99 G103 E130 T131 | V99-T101 WeakPolarHBondContact CG1-O 3.36Å; T101-G103 PolarHBondContact O-N 2.72Å; T101-E130 WeakPolarHBondContact CB-O 3.37Å; T101-E130 HydrophobicContact CG2-CG 4.17Å; T101-E130 WeakPolarHBondContact CG2-O 3.49Å; T101-E130 PolarHBondContact N-O 3.26Å; T101-E130 PolarHBondContact OG1-O 2.83Å; T101-T131 WeakPolarHBondContact OG1-CA 3.33Å; T101-T131 WeakPolarHBondContact OG1-CG2 3.31Å |
| 102 | P | 85.1 | Confident | 87.3 | Confident | 112 Ų | 112 | 62.6 Ų | 62.6 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | trans | -75.2 | 126.5 | 175.6 | 30 | -33.1 | 0 | 0 | 0 | 110.5 | A53 | A53-P102 HydrophobicContact CB-CB 4.27Š| ||
| 103 | G | 81.1 | Confident | 87.5 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | trans | 155.5 | 112.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T101 Q106 V132 | T101-G103 PolarHBondContact O-N 2.72Å; G103-Q106 VanDerWaalsContact CA-OE1 3.29Å; G103-V132 WeakPolarHBondContact O-CG2 2.93Å | ||
| 104 | C | 80.9 | Confident | 87.6 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 12% | 0.115 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -125 | -38 | -177.1 | 179.9 | 0 | 0 | 0 | 0 | 113.4 | C58 V60 V132 | C58-C104 WeakPolarHBondContact CA-SG 3.19Å; C58-C104 HydrophobicContact CB-CB 3.82Å; C58-C104 WeakPolarHBondContact CB-SG 3.1Å; C58-C104 WeakPolarHBondContact SG-CB 3.01Å; C58-C104 CovalentContact SG-SG 2.01Å; C58-C104 PolarHBondContact SG-SG 3.1Å; V60-C104 WeakPolarHBondContact CG2-O 3.04Å; C104-V132 HydrophobicContact CB-CG2 4.44Å |
| 105 | N | 75.6 | Confident | 87.6 | Confident | 117 Ų | 117 | 71 Ų | 71 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -95.6 | -0.6 | -171.5 | -62.3 | -29.5 | 0 | 0 | 0 | 113.9 | S59 | S59-N105 PolarHBondContact OG-OD1 3.27Å; S59-N105 VanDerWaalsContact OG-OD1 3.07Å |
| 106 | Q | 79.9 | Confident | 87.5 | Confident | 119 Ų | 119 | 76.4 Ų | 76.4 | 56% | 0.556 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -73 | 164.2 | 174 | -64.2 | 89.4 | 0.4 | 0 | 0 | 111 | G103 W133 | G103-Q106 VanDerWaalsContact CA-OE1 3.29Å; Q106-W133 WeakPolarHBondContact O-CH2 3.33Å; Q106-W133 WeakPolarHBondContact O-CZ2 3.39Å |
| 107 | L | 81.9 | Confident | 87.4 | Confident | 94 Ų | 94 | 78.7 Ų | 78.7 | 49% | 0.492 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 149.3 | 165.3 | -73.1 | 168.8 | 0 | 0 | 0 | 109.5 | Q142 L145 | L107-Q142 HydrophobicContact CD2-CB 4.38Å; L107-Q142 HydrophobicContact CD2-CG 4.22Å; L107-L145 HydrophobicContact CD1-CD1 4.19Å; L107-L145 HydrophobicContact CD2-CD1 4.03Å |
| 108 | P | 84.3 | Confident | 87.2 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 150 | 174.4 | 28.8 | -32.1 | 0 | 0 | 0 | 110.1 | W133 | P108-W133 HydrophobicContact CB-CD2 3.87Å; P108-W133 HydrophobicContact CB-CE3 4.27Å; P108-W133 HydrophobicContact CB-CG 4.25Å; P108-W133 HydrophobicContact CB-CZ2 4.17Å; P108-W133 HydrophobicContact CG-CD2 4.42Å; P108-W133 HydrophobicContact CG-CE3 4.35Å; P108-W133 HydrophobicContact CG-CH2 4.34Å; P108-W133 HydrophobicContact CG-CZ2 4.4Å; P108-W133 HydrophobicContact CG-CZ3 4.31Å |
| 109 | T | 85 | Confident | 87.1 | Confident | 93 Ų | 93 | 84 Ų | 84 | 57% | 0.571 | 46% | 0.458 | S | S | * | . | trans | -113.5 | 170.3 | 173.8 | 63 | 0 | 0 | 0 | 0 | 109.1 | E111 S112 | T109-E111 PolarHBondContact O-N 3.18Å; T109-E111 VanDerWaalsContact O-N 3.1Å; T109-E111 PolarHBondContact OG1-N 2.87Å; T109-S112 WeakPolarHBondContact O-CB 3.4Å; T109-S112 PolarHBondContact O-N 3.48Å; T109-S112 PolarHBondContact O-OG 3.24Å; T109-S112 PolarHBondContact OG1-N 2.95Å | ||
| 110 | L | 82.4 | Confident | 86.9 | Confident | 174 Ų | 174 | 87.8 Ų | 87.8 | 91% | 0.911 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.6 | 174.8 | -174 | 63.9 | 0 | 0 | 0 | 112.7 | ||
| 111 | E | 85.4 | Confident | 86.7 | Confident | 177 Ų | 177 | 88 Ų | 88 | 83% | 0.827 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 0.5 | -179.1 | -59.6 | -179.3 | 166.8 | 0 | 0 | 112.7 | T109 V113 | T109-E111 PolarHBondContact O-N 3.18Å; T109-E111 VanDerWaalsContact O-N 3.1Å; T109-E111 PolarHBondContact OG1-N 2.87Å; E111-V113 PolarHBondContact O-N 2.99Å |
| 112 | S | 85.1 | Confident | 86.5 | Confident | 26 Ų | 26 | 89.5 Ų | 89.5 | 18% | 0.182 | 48% | 0.482 | C | S | . | . | trans | -67.7 | 126.2 | 179.9 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | T109 E114 | T109-S112 WeakPolarHBondContact O-CB 3.4Å; T109-S112 PolarHBondContact O-N 3.48Å; T109-S112 PolarHBondContact O-OG 3.24Å; T109-S112 PolarHBondContact OG1-N 2.95Å; S112-E114 PolarHBondContact O-N 2.91Å | ||
| 113 | V | 89.9 | Confident | 86.6 | Confident | 67 Ų | 67 | 91.6 Ų | 91.6 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | trans | -78.3 | 117 | -176.1 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | E111 N115 E130 T131 | E111-V113 PolarHBondContact O-N 2.99Å; V113-N115 HydrophobicContact CG1-CB 4.15Å; V113-N115 WeakPolarHBondContact CG1-OD1 3.08Å; V113-E130 HydrophobicContact CB-CB 4.49Å; V113-E130 HydrophobicContact CG1-CB 4.09Å; V113-E130 HydrophobicContact CG1-CG 4.46Å; V113-T131 HydrophobicContact CB-CG2 4.1Å; V113-T131 PolarHBondContact O-OG1 3.44Å | ||
| 114 | E | 89.4 | Confident | 86.9 | Confident | 130 Ų | 130 | 94.7 Ų | 94.7 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | trans | -103.5 | 25 | -179.2 | -59.1 | -171.3 | 166.5 | 0 | 0 | 113.4 | S112 W133 | S112-E114 PolarHBondContact O-N 2.91Å; E114-W133 HydrophobicContact CG-CB 4.14Å | ||
| 115 | N | 91.6 | Very high | 87.4 | Confident | 86 Ų | 86 | 94.6 Ų | 94.6 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | trans | -74.1 | 146.8 | 178 | 70.8 | -12.4 | 0 | 0 | 0 | 111.5 | V113 S129 E130 | V113-N115 HydrophobicContact CG1-CB 4.15Å; V113-N115 WeakPolarHBondContact CG1-OD1 3.08Å; N115-S129 VanDerWaalsContact O-CB 3.32Å; N115-S129 WeakPolarHBondContact O-CB 3.41Å; N115-E130 WeakPolarHBondContact OD1-CB 3.46Å; N115-E130 PolarHBondContact OD1-N 3.45Å | ||
| 116 | Y | 93 | Very high | 88.3 | Confident | 135 Ų | 135 | 90.8 Ų | 90.8 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 152.9 | 172.8 | 70.3 | -89 | 0 | 0 | 0 | 111.2 | L128 G134 | Y116-L128 CarbonylContact C-O 3.58Å; Y116-L128 WeakPolarHBondContact CA-O 3.4Å; Y116-G134 WeakPolarHBondContact CB-O 3.46Å |
| 117 | T | 93.8 | Very high | 89 | Confident | 83 Ų | 83 | 85.9 Ų | 85.9 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.3 | 171.4 | -57.8 | 0 | 0 | 0 | 0 | 108.1 | L128 | T117-L128 PolarHBondContact N-O 3.49Å; T117-L128 PolarHBondContact O-N 2.86Å |
| 118 | L | 92.4 | Very high | 89.6 | Confident | 87 Ų | 87 | 84.8 Ų | 84.8 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.3 | 175 | 178.7 | 64.1 | 0 | 0 | 0 | 109.3 | L95 I120 L127 | L95-L118 HydrophobicContact CD1-CD1 4.2Å; L118-I120 HydrophobicContact CD1-CD1 4.49Å; L118-I120 HydrophobicContact CD1-CG1 4.26Å; L118-I120 HydrophobicContact CD2-CD1 4.14Å; L118-I120 HydrophobicContact CG-CD1 4.24Å; L118-I120 HydrophobicContact CG-CG1 4.16Å; L118-L127 HydrophobicContact CD1-CB 4.17Å; L118-L127 HydrophobicContact CD1-CD1 4.47Å; L118-L127 HydrophobicContact CD1-CG 4.48Å |
| 119 | T | 92.4 | Very high | 90.1 | Very high | 38 Ų | 38 | 82 Ų | 82 | 23% | 0.233 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120.9 | -180 | -56.6 | 0 | 0 | 0 | 0 | 109.5 | N121 Q124 C125 L126 | T119-N121 WeakPolarHBondContact CG2-ND2 3.39Å; T119-Q124 HydrophobicContact CG2-CG 4.13Å; T119-C125 WeakPolarHBondContact O-CA 3.44Å; T119-L126 PolarHBondContact N-O 2.65Å; T119-L126 PolarHBondContact O-N 2.89Å |
| 120 | I | 90.7 | Very high | 90.5 | Very high | 79 Ų | 79 | 81.4 Ų | 81.4 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 92.8 | 178.7 | -52.9 | 176.3 | 0 | 0 | 0 | 108.8 | Y37 L118 | Y37-I120 HydrophobicContact CD2-CG2 3.83Å; Y37-I120 HydrophobicContact CE2-CG2 3.81Å; L118-I120 HydrophobicContact CD1-CD1 4.49Å; L118-I120 HydrophobicContact CD1-CG1 4.26Å; L118-I120 HydrophobicContact CD2-CD1 4.14Å; L118-I120 HydrophobicContact CG-CD1 4.24Å; L118-I120 HydrophobicContact CG-CG1 4.16Å |
| 121 | N | 90 | Very high | 90.9 | Very high | 83 Ų | 83 | 74.1 Ų | 74.1 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | trans | -127.6 | 177.8 | -178.5 | -63 | -15.1 | 0 | 0 | 0 | 110.3 | Y37 K92 T119 D123 Q124 | Y37-N121 WeakPolarHBondContact OH-CA 3.48Å; K92-N121 WeakPolarHBondContact CE-O 3.25Å; K92-N121 PolarHBondContact NZ-O 3.41Å; T119-N121 WeakPolarHBondContact CG2-ND2 3.39Å; N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 PolarHBondContact O-N 2.71Å; N121-Q124 PolarHBondContact N-O 2.97Å; N121-Q124 VanDerWaalsContact O-O 3.06Å | ||
| 122 | D | 86.9 | Confident | 91.2 | Very high | 74 Ų | 74 | 65.7 Ų | 65.7 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -60.5 | -35.2 | -179.4 | -68.3 | -28.4 | 0 | 0 | 0 | 113.4 | Q35 Y37 L90 K92 | Q35-D122 PolarHBondContact NE2-OD1 3.25Å; Q35-D122 PolarHBondContact NE2-OD2 3.2Å; Y37-D122 VanDerWaalsContact CE1-OD1 3.31Å; Y37-D122 WeakPolarHBondContact CE1-OD1 3.36Å; Y37-D122 PolarHBondContact OH-N 2.85Å; Y37-D122 PolarHBondContact OH-OD1 3.38Å; L90-D122 HydrophobicContact CD1-CB 4.3Å; L90-D122 WeakPolarHBondContact CD1-OD1 3.23Å; K92-D122 PolarHBondContact NZ-O 2.62Å |
| 123 | D | 85.9 | Confident | 91.4 | Very high | 157 Ų | 157 | 66.5 Ų | 66.5 | 84% | 0.84 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -86.9 | -38.5 | -177.7 | -56.1 | -42.9 | 0 | 0 | 0 | 112.9 | N121 | N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 PolarHBondContact O-N 2.71Å |
| 124 | Q | 87.4 | Confident | 91.3 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | trans | -137 | 142.5 | -170.3 | 60.3 | -177 | -37.2 | 0 | 0 | 113.1 | T119 N121 | T119-Q124 HydrophobicContact CG2-CG 4.13Å; N121-Q124 PolarHBondContact N-O 2.97Å; N121-Q124 VanDerWaalsContact O-O 3.06Å | ||
| 125 | C | 92.1 | Very high | 91.1 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 10% | 0.101 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 89.7 | 167.1 | -170.6 | 0 | 0 | 0 | 0 | 104.9 | K92 V94 L95 V96 T119 | K92-C125 HydrophobicContact CD-CB 4.29Å; V94-C125 WeakPolarHBondContact O-CB 3.09Å; L95-C125 HydrophobicContact CD1-CB 4.49Å; L95-C125 WeakPolarHBondContact CD1-O 3.44Å; V96-C125 PolarHBondContact N-O 2.92Å; T119-C125 WeakPolarHBondContact O-CA 3.44Å |
| 126 | L | 94.3 | Very high | 90.7 | Very high | 37 Ų | 37 | 54.4 Ų | 54.4 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.4 | -167.3 | 176.5 | 65.4 | 0 | 0 | 0 | 110 | V96 T119 | V96-L126 HydrophobicContact CB-CD1 4.09Å; V96-L126 HydrophobicContact CG1-CD1 3.97Å; V96-L126 CarbonylContact O-C 3.52Å; V96-L126 WeakPolarHBondContact O-CA 3.22Å; T119-L126 PolarHBondContact N-O 2.65Å; T119-L126 PolarHBondContact O-N 2.89Å |
| 127 | L | 95.3 | Very high | 89.8 | Confident | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.5 | 165.3 | -167.9 | 157 | 0 | 0 | 0 | 108.1 | L95 V96 V97 S98 L118 A135 | L95-L127 HydrophobicContact CD1-CB 4.26Å; V96-L127 PolarHBondContact O-N 2.81Å; V97-L127 WeakPolarHBondContact CA-O 3.41Å; V97-L127 HydrophobicContact CG1-CD2 4.29Å; V97-L127 HydrophobicContact CG2-CB 4.34Å; S98-L127 PolarHBondContact N-O 3.1Å; L118-L127 HydrophobicContact CD1-CB 4.17Å; L118-L127 HydrophobicContact CD1-CD1 4.47Å; L118-L127 HydrophobicContact CD1-CG 4.48Å; L127-A135 HydrophobicContact CD2-CB 3.83Å |
| 128 | L | 94.9 | Very high | 88.8 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.1 | 176.1 | 179.1 | 69 | 0 | 0 | 0 | 109.8 | S98 V100 Y116 T117 | S98-L128 WeakPolarHBondContact O-CA 3.24Å; V100-L128 HydrophobicContact CG2-CD1 4.14Å; Y116-L128 CarbonylContact C-O 3.58Å; Y116-L128 WeakPolarHBondContact CA-O 3.4Å; T117-L128 PolarHBondContact N-O 3.49Å; T117-L128 PolarHBondContact O-N 2.86Å |
| 129 | S | 94.4 | Very high | 88.1 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 155.2 | 172.5 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | S98 V99 V100 N115 T131 A135 | S98-S129 PolarHBondContact O-N 3.1Å; V99-S129 WeakPolarHBondContact CA-O 3.39Å; V100-S129 PolarHBondContact N-O 2.92Å; V100-S129 VanDerWaalsContact N-O 3.1Å; N115-S129 VanDerWaalsContact O-CB 3.32Å; N115-S129 WeakPolarHBondContact O-CB 3.41Å; S129-T131 WeakPolarHBondContact CB-O 3.4Å; S129-T131 PolarHBondContact OG-O 3.3Å; S129-A135 WeakPolarHBondContact OG-CB 3.48Å; S129-A135 PolarHBondContact OG-N 3.5Å |
| 130 | E | 92.9 | Very high | 87.3 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -69.2 | -45.6 | 175.9 | -169.2 | 68 | -167 | 0 | 0 | 110.6 | V100 T101 V113 N115 | V100-E130 PolarHBondContact N-O 3.15Å; T101-E130 WeakPolarHBondContact CB-O 3.37Å; T101-E130 HydrophobicContact CG2-CG 4.17Å; T101-E130 WeakPolarHBondContact CG2-O 3.49Å; T101-E130 PolarHBondContact N-O 3.26Å; T101-E130 PolarHBondContact OG1-O 2.83Å; V113-E130 HydrophobicContact CB-CB 4.49Å; V113-E130 HydrophobicContact CG1-CB 4.09Å; V113-E130 HydrophobicContact CG1-CG 4.46Å; N115-E130 WeakPolarHBondContact OD1-CB 3.46Å; N115-E130 PolarHBondContact OD1-N 3.45Å |
| 131 | T | 92.1 | Very high | 86.7 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 14% | 0.135 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -124.1 | 166.9 | 179.9 | 81.1 | 0 | 0 | 0 | 0 | 111.2 | T101 V113 S129 W133 G134 A135 | T101-T131 WeakPolarHBondContact OG1-CA 3.33Å; T101-T131 WeakPolarHBondContact OG1-CG2 3.31Å; V113-T131 HydrophobicContact CB-CG2 4.1Å; V113-T131 PolarHBondContact O-OG1 3.44Å; S129-T131 WeakPolarHBondContact CB-O 3.4Å; S129-T131 PolarHBondContact OG-O 3.3Å; T131-W133 PolarHBondContact O-N 3.38Å; T131-W133 PolarHBondContact OG1-N 3.25Å; T131-G134 PolarHBondContact O-N 3.17Å; T131-A135 PolarHBondContact O-N 3.33Å |
| 132 | V | 91.8 | Very high | 86 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.5 | -30.7 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | A54 V60 L61 V99 G103 C104 G134 A135 L136 | A54-V132 HydrophobicContact CB-CG2 4.38Å; V60-V132 HydrophobicContact CB-CG1 3.8Å; V60-V132 HydrophobicContact CG1-CG1 3.47Å; V60-V132 VanDerWaalsContact CG1-CG1 3.47Å; L61-V132 HydrophobicContact CD1-CG1 4.49Å; L61-V132 HydrophobicContact CD1-CG2 4.25Å; L61-V132 HydrophobicContact CD2-CG1 4.05Å; L61-V132 HydrophobicContact CG-CG1 3.93Å; V99-V132 HydrophobicContact CG1-CG2 4.09Å; V99-V132 HydrophobicContact CG2-CG2 4.24Å; G103-V132 WeakPolarHBondContact O-CG2 2.93Å; C104-V132 HydrophobicContact CB-CG2 4.44Å; V132-G134 PolarHBondContact O-N 3.12Å; V132-A135 PolarHBondContact O-N 2.96Å; V132-L136 PolarHBondContact O-N 2.84Å |
| 133 | W | 88.7 | Confident | 85.6 | Confident | 42 Ų | 42 | 50 Ų | 50 | 16% | 0.159 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.5 | -32.5 | -177.9 | -49.8 | 113.5 | 0 | 0 | 0 | 113.5 | Q106 P108 E114 T131 | Q106-W133 WeakPolarHBondContact O-CH2 3.33Å; Q106-W133 WeakPolarHBondContact O-CZ2 3.39Å; P108-W133 HydrophobicContact CB-CD2 3.87Å; P108-W133 HydrophobicContact CB-CE3 4.27Å; P108-W133 HydrophobicContact CB-CG 4.25Å; P108-W133 HydrophobicContact CB-CZ2 4.17Å; P108-W133 HydrophobicContact CG-CD2 4.42Å; P108-W133 HydrophobicContact CG-CE3 4.35Å; P108-W133 HydrophobicContact CG-CH2 4.34Å; P108-W133 HydrophobicContact CG-CZ2 4.4Å; P108-W133 HydrophobicContact CG-CZ3 4.31Å; E114-W133 HydrophobicContact CG-CB 4.14Å; T131-W133 PolarHBondContact O-N 3.38Å; T131-W133 PolarHBondContact OG1-N 3.25Å |
| 134 | G | 87.4 | Confident | 85.2 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.9 | -33.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y116 T131 V132 | Y116-G134 WeakPolarHBondContact CB-O 3.46Å; T131-G134 PolarHBondContact O-N 3.17Å; V132-G134 PolarHBondContact O-N 3.12Å |
| 135 | A | 86.1 | Confident | 84.9 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.8 | -60.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L61 V97 V99 L127 S129 T131 V132 | L61-A135 HydrophobicContact CD2-CB 3.99Å; V97-A135 HydrophobicContact CG1-CB 4Å; V99-A135 HydrophobicContact CG2-CB 4.2Å; L127-A135 HydrophobicContact CD2-CB 3.83Å; S129-A135 WeakPolarHBondContact OG-CB 3.48Å; S129-A135 PolarHBondContact OG-N 3.5Å; T131-A135 PolarHBondContact O-N 3.33Å; V132-A135 PolarHBondContact O-N 2.96Å |
| 136 | L | 81.5 | Confident | 84.2 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -150.6 | 153 | -173.9 | -61.9 | 173.9 | 0 | 0 | 0 | 110.9 | L61 A64 F65 Y68 V132 | L61-L136 HydrophobicContact CD2-CB 4.28Å; L61-L136 HydrophobicContact CD2-CD1 4.15Å; L61-L136 HydrophobicContact CD2-CG 4.38Å; A64-L136 HydrophobicContact CB-CB 3.58Å; A64-L136 HydrophobicContact CB-CD1 3.51Å; A64-L136 HydrophobicContact CB-CG 4.14Å; F65-L136 HydrophobicContact CD1-CD1 3.48Å; F65-L136 VanDerWaalsContact CD1-CD1 3.48Å; F65-L136 HydrophobicContact CE1-CD1 3.51Å; Y68-L136 HydrophobicContact CD2-CD1 4.33Å; Y68-L136 HydrophobicContact CD2-CD2 3.68Å; Y68-L136 HydrophobicContact CD2-CG 4.41Å; Y68-L136 HydrophobicContact CE2-CB 4.07Å; Y68-L136 HydrophobicContact CE2-CD2 3.52Å; Y68-L136 HydrophobicContact CE2-CG 4.26Å; Y68-L136 HydrophobicContact CG-CD2 4.44Å; V132-L136 PolarHBondContact O-N 2.84Å |
| 137 | R | 75.9 | Confident | 83.6 | Confident | 169 Ų | 169 | 57.5 Ų | 57.5 | 64% | 0.638 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -65 | 151.4 | -179 | -65.4 | -174.7 | 179.3 | -92.1 | 0.8 | 112.9 | R67 | R67-R137 PolarHBondContact NH2-O 3.27Š|
| 138 | G | 72.1 | Confident | 83 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 167.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117 | R67 Q142 K143 | R67-G138 PolarHBondContact NH1-O 3.24Å; G138-Q142 VanDerWaalsContact CA-OE1 3.29Å; G138-K143 WeakPolarHBondContact O-CE 3.32Å; G138-K143 PolarHBondContact O-NZ 3.41Å |
| 139 | T | 76.6 | Confident | 82.3 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 163.6 | -179.8 | 75.7 | 0 | 0 | 0 | 0 | 112.5 | V60 E63 E141 Q142 K143 | V60-T139 HydrophobicContact CB-CG2 4.45Å; V60-T139 HydrophobicContact CG2-CG2 4.14Å; E63-T139 WeakPolarHBondContact OE2-CB 3.03Å; E63-T139 VanDerWaalsContact OE2-CG2 3.25Å; E63-T139 WeakPolarHBondContact OE2-CG2 3.22Å; T139-E141 VanDerWaalsContact C-N 3.28Å; T139-E141 VanDerWaalsContact CB-OE2 3.23Å; T139-E141 WeakPolarHBondContact CB-OE2 3.27Å; T139-E141 PolarHBondContact O-N 2.81Å; T139-E141 PolarHBondContact OG1-N 3.48Å; T139-E141 PolarHBondContact OG1-OE2 3.31Å; T139-Q142 PolarHBondContact O-N 3.34Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.12Å; T139-Q142 PolarHBondContact OG1-N 2.94Å; T139-Q142 VanDerWaalsContact OG1-N 3.1Å; T139-K143 WeakPolarHBondContact O-CB 3.36Å; T139-K143 VanDerWaalsContact O-CG 3.27Å; T139-K143 WeakPolarHBondContact O-CG 3.46Å; T139-K143 PolarHBondContact O-N 3.27Å |
| 140 | P | 77.4 | Confident | 81.9 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 47% | 0.474 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56 | -39.5 | 170.7 | -24 | 36.1 | 0 | 0 | 0 | 113.4 | E63 K143 A144 | E63-P140 WeakPolarHBondContact OE2-CD 3.28Å; P140-K143 WeakPolarHBondContact O-CB 3.44Å; P140-K143 PolarHBondContact O-N 2.66Å; P140-A144 PolarHBondContact O-N 2.89Å |
| 141 | E | 76.4 | Confident | 81.5 | Confident | 110 Ų | 110 | 63.1 Ų | 63.1 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.9 | -44.4 | -179.9 | -58.1 | 66.3 | -140.9 | 0 | 0 | 110.1 | T139 K143 A144 L145 | T139-E141 VanDerWaalsContact C-N 3.28Å; T139-E141 VanDerWaalsContact CB-OE2 3.23Å; T139-E141 WeakPolarHBondContact CB-OE2 3.27Å; T139-E141 PolarHBondContact O-N 2.81Å; T139-E141 PolarHBondContact OG1-N 3.48Å; T139-E141 PolarHBondContact OG1-OE2 3.31Å; E141-K143 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 3.42Å; E141-A144 WeakPolarHBondContact O-CB 3.14Å; E141-A144 PolarHBondContact O-N 3.23Å; E141-A144 VanDerWaalsContact O-N 3.15Å; E141-L145 PolarHBondContact O-N 3.1Å |
| 142 | Q | 76.9 | Confident | 81.1 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 11% | 0.112 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 174.5 | -70.5 | 172.9 | -25.1 | 0 | 0 | 111.7 | V60 L107 G138 T139 A144 L145 | V60-Q142 VanDerWaalsContact CG2-NE2 3.28Å; L107-Q142 HydrophobicContact CD2-CB 4.38Å; L107-Q142 HydrophobicContact CD2-CG 4.22Å; G138-Q142 VanDerWaalsContact CA-OE1 3.29Å; T139-Q142 PolarHBondContact O-N 3.34Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.12Å; T139-Q142 PolarHBondContact OG1-N 2.94Å; T139-Q142 VanDerWaalsContact OG1-N 3.1Å; Q142-A144 VanDerWaalsContact C-N 3.29Å; Q142-A144 PolarHBondContact O-N 3.49Å; Q142-L145 WeakPolarHBondContact O-CB 3.35Å; Q142-L145 PolarHBondContact O-N 3.03Å |
| 143 | K | 76.9 | Confident | 80.5 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 41% | 0.409 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65 | -33.2 | 174.1 | -74.3 | 166.6 | -174.8 | 148.5 | 0 | 112.2 | G138 T139 P140 E141 L145 V146 | G138-K143 WeakPolarHBondContact O-CE 3.32Å; G138-K143 PolarHBondContact O-NZ 3.41Å; T139-K143 WeakPolarHBondContact O-CB 3.36Å; T139-K143 VanDerWaalsContact O-CG 3.27Å; T139-K143 WeakPolarHBondContact O-CG 3.46Å; T139-K143 PolarHBondContact O-N 3.27Å; P140-K143 WeakPolarHBondContact O-CB 3.44Å; P140-K143 PolarHBondContact O-N 2.66Å; E141-K143 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 3.42Å; K143-L145 PolarHBondContact O-N 3.39Å; K143-V146 VanDerWaalsContact O-CB 3.28Å; K143-V146 WeakPolarHBondContact O-CB 3.32Å; K143-V146 PolarHBondContact O-N 3.18Å; K143-V146 VanDerWaalsContact O-N 3.12Å |
| 144 | A | 79 | Confident | 80.2 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 69% | 0.694 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.6 | -23.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P140 E141 Q142 V146 | P140-A144 PolarHBondContact O-N 2.89Å; E141-A144 WeakPolarHBondContact O-CB 3.14Å; E141-A144 PolarHBondContact O-N 3.23Å; E141-A144 VanDerWaalsContact O-N 3.15Å; Q142-A144 VanDerWaalsContact C-N 3.29Å; Q142-A144 PolarHBondContact O-N 3.49Å; A144-V146 VanDerWaalsContact C-N 3.26Å |
| 145 | L | 81 | Confident | 79.7 | Confident | 112 Ų | 112 | 79.8 Ų | 79.8 | 59% | 0.586 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -6.8 | 174 | -61.3 | 171.7 | 0 | 0 | 0 | 112.9 | L107 E141 Q142 K143 I147 | L107-L145 HydrophobicContact CD1-CD1 4.19Å; L107-L145 HydrophobicContact CD2-CD1 4.03Å; E141-L145 PolarHBondContact O-N 3.1Å; Q142-L145 WeakPolarHBondContact O-CB 3.35Å; Q142-L145 PolarHBondContact O-N 3.03Å; K143-L145 PolarHBondContact O-N 3.39Å; L145-I147 PolarHBondContact O-N 2.89Å |
| 146 | V | 76.8 | Confident | 79.5 | Confident | 97 Ų | 97 | 87.6 Ų | 87.6 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | trans | -74.7 | 110.4 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | K143 A144 G148 | K143-V146 VanDerWaalsContact O-CB 3.28Å; K143-V146 WeakPolarHBondContact O-CB 3.32Å; K143-V146 PolarHBondContact O-N 3.18Å; K143-V146 VanDerWaalsContact O-N 3.12Å; A144-V146 VanDerWaalsContact C-N 3.26Å; V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 WeakPolarHBondContact CG1-O 3.19Å | ||
| 147 | I | 81.3 | Confident | 79.5 | Confident | 163 Ų | 163 | 94.9 Ų | 94.9 | 84% | 0.836 | 51% | 0.508 | S | S | * | . | trans | -75.6 | -19.6 | -179.3 | 57.4 | 173.2 | 0 | 0 | 0 | 113.6 | L145 W179 | L145-I147 PolarHBondContact O-N 2.89Å; I147-W179 PolarHBondContact O-NE1 3.5Å | ||
| 148 | G | 81.9 | Confident | 79.7 | Confident | 29 Ų | 29 | 89 Ų | 89 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | trans | 172.1 | -163 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V146 | V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 WeakPolarHBondContact CG1-O 3.19Å | ||
| 149 | G | 82.1 | Confident | 80.1 | Confident | 46 Ų | 46 | 92 Ų | 92 | 47% | 0.474 | 50% | 0.504 | S | S | . | . | trans | -147 | 162.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 150 | E | 84.1 | Confident | 80.4 | Confident | 167 Ų | 167 | 99.2 Ų | 99.2 | 78% | 0.78 | 54% | 0.542 | S | S | * | . | trans | -96.2 | 152.3 | 178.4 | 61.3 | 180 | -169.4 | 0 | 0 | 111.9 | ||||
| 151 | A | 85.6 | Confident | 80.7 | Confident | 47 Ų | 47 | 101.4 Ų | 101.4 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | trans | -131.3 | 120.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V174 | A151-V174 HydrophobicContact CB-CB 4.16Å; A151-V174 HydrophobicContact CB-CG1 4.05Å; A151-V174 HydrophobicContact CB-CG2 4.02Å | ||
| 152 | C | 82.8 | Confident | 80.9 | Confident | 95 Ų | 95 | 97.6 Ų | 97.6 | 64% | 0.642 | 54% | 0.538 | S | S | * | . | trans | -91.5 | 137 | 178.5 | -62.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 153 | M | 80.7 | Confident | 81.3 | Confident | 44 Ų | 44 | 99.4 Ų | 99.4 | 22% | 0.217 | 55% | 0.548 | C | S | . | . | trans | -110.4 | 125.3 | 171.7 | 169.9 | 168.4 | -68.6 | 0 | 0 | 110 | V158 R166 L167 R170 | M153-V158 HydrophobicContact SD-CG1 4.27Å; M153-V158 HydrophobicContact SD-CG2 4.18Å; M153-R166 HydrophobicContact CE-CB 4.24Å; M153-R166 WeakPolarHBondContact CE-O 3.07Å; M153-R166 HydrophobicContact SD-CB 4.07Å; M153-L167 HydrophobicContact CB-CD1 3.76Å; M153-L167 VanDerWaalsContact CE-CA 3.47Å; M153-L167 HydrophobicContact CE-CB 4.17Å; M153-L167 HydrophobicContact CE-CD1 3.98Å; M153-L167 HydrophobicContact SD-CB 4.42Å; M153-L167 HydrophobicContact SD-CD1 4.42Å; M153-R170 HydrophobicContact CE-CB 4.44Å; M153-R170 HydrophobicContact CE-CG 4.48Å | ||
| 154 | W | 80.7 | Confident | 81.5 | Confident | 232 Ų | 232 | 98.8 Ų | 98.8 | 88% | 0.879 | 55% | 0.552 | S | S | * | * | trans | -109.2 | 134.5 | 171.4 | -53.6 | 90.1 | 0 | 0 | 0 | 109 | ||||
| 155 | G | 77.6 | Confident | 81.5 | Confident | 50 Ų | 50 | 97 Ų | 97 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | trans | -172.7 | 143 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 156 | E | 82.4 | Confident | 81.5 | Confident | 170 Ų | 170 | 96.7 Ų | 96.7 | 79% | 0.794 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -38.5 | -176.3 | -176.6 | -180 | -174.6 | 0 | 0 | 113.2 | ||
| 157 | Y | 81.1 | Confident | 81.9 | Confident | 168 Ų | 168 | 94.3 Ų | 94.3 | 66% | 0.659 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 48.4 | -179.6 | -63.3 | -79.1 | 0 | 0 | 0 | 111.7 | N162 R166 | Y157-N162 PolarHBondContact O-ND2 3Å; Y157-R166 PolarHBondContact O-NH1 3.35Å |
| 158 | V | 79.8 | Confident | 82.1 | Confident | 45 Ų | 45 | 93.3 Ų | 93.3 | 27% | 0.273 | 49% | 0.494 | S | S | . | . | trans | -107.3 | 115.5 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | M153 N162 L163 | M153-V158 HydrophobicContact SD-CG1 4.27Å; M153-V158 HydrophobicContact SD-CG2 4.18Å; V158-N162 VanDerWaalsContact CA-OD1 3.31Å; V158-N162 WeakPolarHBondContact CA-OD1 3.45Å; V158-L163 HydrophobicContact CG1-CB 4.2Å; V158-L163 HydrophobicContact CG1-CD1 3.61Å | ||
| 159 | D | 81.4 | Confident | 82.1 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | trans | -129.1 | 176.3 | 178.6 | 70.2 | 13.9 | 0 | 0 | 0 | 110.7 | T161 N162 L163 | D159-T161 PolarHBondContact O-N 2.81Å; D159-T161 WeakPolarHBondContact OD1-CA 3.46Å; D159-T161 WeakPolarHBondContact OD1-CB 3.03Å; D159-T161 PolarHBondContact OD1-N 2.59Å; D159-T161 PolarHBondContact OD1-OG1 3.46Å; D159-T161 PolarHBondContact OD2-OG1 3Å; D159-N162 PolarHBondContact N-OD1 3.06Å; D159-N162 PolarHBondContact O-N 3.41Å; D159-N162 VanDerWaalsContact O-N 3.14Å; D159-N162 PolarHBondContact O-OD1 3.5Å; D159-N162 PolarHBondContact OD1-N 2.92Å; D159-N162 PolarHBondContact OD1-ND2 3.17Å; D159-L163 VanDerWaalsContact O-CB 3.22Å; D159-L163 WeakPolarHBondContact O-CB 3.27Å; D159-L163 PolarHBondContact O-N 3.47Å | ||
| 160 | N | 82.7 | Confident | 82.3 | Confident | 156 Ų | 156 | 99.2 Ų | 99.2 | 83% | 0.834 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18 | -178.2 | -71.1 | 10.4 | 0 | 0 | 0 | 113.8 | ||
| 161 | T | 83.1 | Confident | 82.4 | Confident | 120 Ų | 120 | 92.3 Ų | 92.3 | 74% | 0.736 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -28.5 | -179.9 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | D159 | D159-T161 PolarHBondContact O-N 2.81Å; D159-T161 WeakPolarHBondContact OD1-CA 3.46Å; D159-T161 WeakPolarHBondContact OD1-CB 3.03Å; D159-T161 PolarHBondContact OD1-N 2.59Å; D159-T161 PolarHBondContact OD1-OG1 3.46Å; D159-T161 PolarHBondContact OD2-OG1 3Å |
| 162 | N | 81.4 | Confident | 82.5 | Confident | 30 Ų | 30 | 90.4 Ų | 90.4 | 16% | 0.16 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -2.5 | -174.7 | 73.2 | 30.2 | 0 | 0 | 0 | 114.4 | Y157 V158 D159 P165 R166 | Y157-N162 PolarHBondContact O-ND2 3Å; V158-N162 VanDerWaalsContact CA-OD1 3.31Å; V158-N162 WeakPolarHBondContact CA-OD1 3.45Å; D159-N162 PolarHBondContact N-OD1 3.06Å; D159-N162 PolarHBondContact O-N 3.41Å; D159-N162 VanDerWaalsContact O-N 3.14Å; D159-N162 PolarHBondContact O-OD1 3.5Å; D159-N162 PolarHBondContact OD1-N 2.92Å; D159-N162 PolarHBondContact OD1-ND2 3.17Å; N162-P165 VanDerWaalsContact O-CD 3.31Å; N162-P165 WeakPolarHBondContact O-CD 3.44Å; N162-P165 WeakPolarHBondContact O-CG 3.27Å; N162-R166 WeakPolarHBondContact O-CB 3.31Å; N162-R166 VanDerWaalsContact O-CG 3.27Å; N162-R166 WeakPolarHBondContact O-CG 3.04Å; N162-R166 PolarHBondContact O-N 3.49Å |
| 163 | L | 84 | Confident | 82.7 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 33% | 0.325 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.8 | -59.1 | 179.4 | 176.5 | 65.1 | 0 | 0 | 0 | 112 | V158 D159 R166 L167 | V158-L163 HydrophobicContact CG1-CB 4.2Å; V158-L163 HydrophobicContact CG1-CD1 3.61Å; D159-L163 VanDerWaalsContact O-CB 3.22Å; D159-L163 WeakPolarHBondContact O-CB 3.27Å; D159-L163 PolarHBondContact O-N 3.47Å; L163-R166 PolarHBondContact O-N 3.33Å; L163-L167 HydrophobicContact CD1-CB 4.5Å; L163-L167 WeakPolarHBondContact O-CB 3.42Å; L163-L167 PolarHBondContact O-N 2.9Å |
| 164 | V | 81.7 | Confident | 83 | Confident | 81 Ų | 81 | 88.9 Ų | 88.9 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -54.6 | -51.4 | -178 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | R166 L167 W168 | V164-R166 VanDerWaalsContact C-N 3.28Å; V164-R166 PolarHBondContact O-N 2.72Å; V164-L167 PolarHBondContact O-N 3.25Å; V164-W168 VanDerWaalsContact O-CD1 3.31Å; V164-W168 PolarHBondContact O-N 2.63Å |
| 165 | P | 79.9 | Confident | 83.4 | Confident | 47 Ų | 47 | 79.3 Ų | 79.3 | 31% | 0.305 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.5 | -23.8 | -176.4 | 26 | -35.6 | 0 | 0 | 0 | 115 | N162 P169 Q205 | N162-P165 VanDerWaalsContact O-CD 3.31Å; N162-P165 WeakPolarHBondContact O-CD 3.44Å; N162-P165 WeakPolarHBondContact O-CG 3.27Å; P165-P169 VanDerWaalsContact O-CD 3.26Å; P165-P169 WeakPolarHBondContact O-CD 3.33Å; P165-P169 WeakPolarHBondContact O-CG 3.35Å; P165-Q205 VanDerWaalsContact CB-CD 3.44Å; P165-Q205 HydrophobicContact CB-CG 4.39Å; P165-Q205 VanDerWaalsContact CB-OE1 3.27Å |
| 166 | R | 80.4 | Confident | 83.8 | Confident | 104 Ų | 104 | 78.2 Ų | 78.2 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -83.9 | -38.9 | 174.7 | -69.8 | 177.6 | 174.1 | -164.5 | 4.2 | 112.3 | M153 Y157 N162 L163 V164 | M153-R166 HydrophobicContact CE-CB 4.24Å; M153-R166 WeakPolarHBondContact CE-O 3.07Å; M153-R166 HydrophobicContact SD-CB 4.07Å; Y157-R166 PolarHBondContact O-NH1 3.35Å; N162-R166 WeakPolarHBondContact O-CB 3.31Å; N162-R166 VanDerWaalsContact O-CG 3.27Å; N162-R166 WeakPolarHBondContact O-CG 3.04Å; N162-R166 PolarHBondContact O-N 3.49Å; L163-R166 PolarHBondContact O-N 3.33Å; V164-R166 VanDerWaalsContact C-N 3.28Å; V164-R166 PolarHBondContact O-N 2.72Å |
| 167 | L | 85.5 | Confident | 83.9 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 25% | 0.246 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.2 | -54.5 | -173.9 | -176.3 | 66.6 | 0 | 0 | 0 | 112.2 | M153 L163 V164 R170 A171 | M153-L167 HydrophobicContact CB-CD1 3.76Å; M153-L167 VanDerWaalsContact CE-CA 3.47Å; M153-L167 HydrophobicContact CE-CB 4.17Å; M153-L167 HydrophobicContact CE-CD1 3.98Å; M153-L167 HydrophobicContact SD-CB 4.42Å; M153-L167 HydrophobicContact SD-CD1 4.42Å; L163-L167 HydrophobicContact CD1-CB 4.5Å; L163-L167 WeakPolarHBondContact O-CB 3.42Å; L163-L167 PolarHBondContact O-N 2.9Å; V164-L167 PolarHBondContact O-N 3.25Å; L167-R170 PolarHBondContact O-N 3.22Å; L167-A171 WeakPolarHBondContact O-CB 3.44Å; L167-A171 PolarHBondContact O-N 3.27Å |
| 168 | W | 84.6 | Confident | 84.1 | Confident | 143 Ų | 143 | 72 Ų | 72 | 54% | 0.542 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | -169.8 | -80.8 | 101.1 | 0 | 0 | 0 | 115 | V164 R170 A171 G172 L201 | V164-W168 VanDerWaalsContact O-CD1 3.31Å; V164-W168 PolarHBondContact O-N 2.63Å; W168-R170 VanDerWaalsContact C-N 3.27Å; W168-R170 PolarHBondContact O-N 3.47Å; W168-A171 PolarHBondContact O-N 3.18Å; W168-G172 PolarHBondContact O-N 3.24Å; W168-L201 HydrophobicContact CB-CD1 4.09Å |
| 169 | P | 83.5 | Confident | 84.4 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 25% | 0.253 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.9 | -32.4 | 176.7 | -23.9 | 34.9 | 0 | 0 | 0 | 113.5 | P165 L201 | P165-P169 VanDerWaalsContact O-CD 3.26Å; P165-P169 WeakPolarHBondContact O-CD 3.33Å; P165-P169 WeakPolarHBondContact O-CG 3.35Å; P169-L201 HydrophobicContact CG-CD1 4.23Å |
| 170 | R | 84.8 | Confident | 84.5 | Confident | 159 Ų | 159 | 75.7 Ų | 75.7 | 60% | 0.6 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -81.8 | -40.6 | 179.1 | -64.1 | -178.3 | -175.8 | 177.7 | -0.1 | 111.7 | M153 L167 W168 G172 A173 | M153-R170 HydrophobicContact CE-CB 4.44Å; M153-R170 HydrophobicContact CE-CG 4.48Å; L167-R170 PolarHBondContact O-N 3.22Å; W168-R170 VanDerWaalsContact C-N 3.27Å; W168-R170 PolarHBondContact O-N 3.47Å; R170-G172 PolarHBondContact O-N 3.47Å; R170-A173 PolarHBondContact O-N 3.46Å |
| 171 | A | 87.8 | Confident | 84.6 | Confident | 22 Ų | 22 | 73.2 Ų | 73.2 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.6 | -29.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L167 W168 A173 V174 A175 | L167-A171 WeakPolarHBondContact O-CB 3.44Å; L167-A171 PolarHBondContact O-N 3.27Å; W168-A171 PolarHBondContact O-N 3.18Å; A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 2.89Å; A171-V174 PolarHBondContact O-N 3.48Å; A171-V174 VanDerWaalsContact O-N 3.11Å; A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.83Å |
| 172 | G | 87.2 | Confident | 84.4 | Confident | 7 Ų | 7 | 76.5 Ų | 76.5 | 7% | 0.072 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54.8 | -37.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | W168 R170 A175 E176 | W168-G172 PolarHBondContact O-N 3.24Å; R170-G172 PolarHBondContact O-N 3.47Å; G172-A175 PolarHBondContact O-N 3.11Å; G172-E176 WeakPolarHBondContact O-CB 3.39Å; G172-E176 PolarHBondContact O-N 3.04Å |
| 173 | A | 86.1 | Confident | 84.5 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R170 A171 A175 E176 R177 L194 | R170-A173 PolarHBondContact O-N 3.46Å; A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 2.89Å; A173-A175 VanDerWaalsContact C-N 3.35Å; A173-E176 PolarHBondContact O-N 3.1Å; A173-R177 PolarHBondContact O-N 3.15Å; A173-L194 HydrophobicContact CB-CD1 4.31Å |
| 174 | V | 88.4 | Confident | 84.4 | Confident | 61 Ų | 61 | 82.1 Ų | 82.1 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | A151 A171 E176 R177 L178 | A151-V174 HydrophobicContact CB-CB 4.16Å; A151-V174 HydrophobicContact CB-CG1 4.05Å; A151-V174 HydrophobicContact CB-CG2 4.02Å; A171-V174 PolarHBondContact O-N 3.48Å; A171-V174 VanDerWaalsContact O-N 3.11Å; V174-E176 PolarHBondContact O-N 3.23Å; V174-R177 PolarHBondContact O-N 3.42Å; V174-L178 HydrophobicContact CG1-CD1 3.9Å; V174-L178 HydrophobicContact CG1-CG 4.47Å; V174-L178 WeakPolarHBondContact O-CG 3.26Å; V174-L178 PolarHBondContact O-N 3.4Å |
| 175 | A | 87.3 | Confident | 84.5 | Confident | 31 Ų | 31 | 82.9 Ų | 82.9 | 26% | 0.256 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A171 G172 A173 R177 L178 W179 | A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.83Å; G172-A175 PolarHBondContact O-N 3.11Å; A173-A175 VanDerWaalsContact C-N 3.35Å; A175-R177 VanDerWaalsContact C-N 3.26Å; A175-R177 PolarHBondContact O-N 2.91Å; A175-L178 PolarHBondContact O-N 3.49Å; A175-L178 VanDerWaalsContact O-N 3.17Å; A175-W179 VanDerWaalsContact CA-CZ3 3.42Å; A175-W179 HydrophobicContact CB-CE3 3.53Å; A175-W179 HydrophobicContact CB-CZ3 3.41Å; A175-W179 VanDerWaalsContact CB-CZ3 3.41Å; A175-W179 PolarHBondContact O-N 2.92Å |
| 176 | E | 86.1 | Confident | 84.9 | Confident | 27 Ų | 27 | 85 Ų | 85 | 13% | 0.126 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -55.1 | -43.9 | 176.4 | -178.1 | -179.5 | -155.1 | 0 | 0 | 111.6 | G172 A173 V174 S180 A190 R193 L194 | G172-E176 WeakPolarHBondContact O-CB 3.39Å; G172-E176 PolarHBondContact O-N 3.04Å; A173-E176 PolarHBondContact O-N 3.1Å; V174-E176 PolarHBondContact O-N 3.23Å; E176-S180 WeakPolarHBondContact O-CB 3.46Å; E176-S180 PolarHBondContact O-N 3.34Å; E176-S180 PolarHBondContact O-OG 3.43Å; E176-A190 VanDerWaalsContact OE1-CA 3.27Å; E176-A190 WeakPolarHBondContact OE1-CA 3.35Å; E176-A190 VanDerWaalsContact OE1-CB 3.27Å; E176-A190 WeakPolarHBondContact OE1-CB 3.43Å; E176-R193 IonicContact OE1-CZ 3.46Å; E176-R193 IonicContact OE1-NH1 2.63Å; E176-R193 PolarHBondContact OE1-NH1 3.33Å; E176-R193 IonicContact OE1-NH2 3.58Å; E176-L194 HydrophobicContact CB-CD2 4.37Å; E176-L194 WeakPolarHBondContact OE2-CD1 3.43Å; E176-L194 VanDerWaalsContact OE2-CD2 3.31Å; E176-L194 WeakPolarHBondContact OE2-CD2 3.35Å; E176-L194 WeakPolarHBondContact OE2-CG 3.25Å |
| 177 | R | 85.8 | Confident | 85.2 | Confident | 121 Ų | 121 | 87.1 Ų | 87.1 | 46% | 0.457 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.5 | -35.4 | -179.8 | -169.8 | 58.1 | -89.3 | 165.2 | -2.6 | 113.2 | A173 V174 A175 S180 N181 T184 | A173-R177 PolarHBondContact O-N 3.15Å; V174-R177 PolarHBondContact O-N 3.42Å; A175-R177 VanDerWaalsContact C-N 3.26Å; A175-R177 PolarHBondContact O-N 2.91Å; R177-S180 PolarHBondContact NH2-O 3.38Å; R177-N181 PolarHBondContact NH2-O 2.95Å; R177-T184 PolarHBondContact NH1-O 3.45Å |
| 178 | L | 85.2 | Confident | 85.3 | Confident | 86 Ų | 86 | 89.4 Ų | 89.4 | 45% | 0.45 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.8 | -41.1 | -179.5 | -72.9 | 169.9 | 0 | 0 | 0 | 112.8 | V174 A175 | V174-L178 HydrophobicContact CG1-CD1 3.9Å; V174-L178 HydrophobicContact CG1-CG 4.47Å; V174-L178 WeakPolarHBondContact O-CG 3.26Å; V174-L178 PolarHBondContact O-N 3.4Å; A175-L178 PolarHBondContact O-N 3.49Å; A175-L178 VanDerWaalsContact O-N 3.17Å |
| 179 | W | 84.8 | Confident | 85.4 | Confident | 165 Ų | 165 | 87.5 Ų | 87.5 | 63% | 0.625 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -99.5 | -0.6 | -175.3 | -70.8 | -74 | 0 | 0 | 0 | 114.2 | I147 A175 | I147-W179 PolarHBondContact O-NE1 3.5Å; A175-W179 VanDerWaalsContact CA-CZ3 3.42Å; A175-W179 HydrophobicContact CB-CE3 3.53Å; A175-W179 HydrophobicContact CB-CZ3 3.41Å; A175-W179 VanDerWaalsContact CB-CZ3 3.41Å; A175-W179 PolarHBondContact O-N 2.92Å |
| 180 | S | 85.1 | Confident | 85.6 | Confident | 34 Ų | 34 | 86.7 Ų | 86.7 | 24% | 0.238 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -89.6 | 149.6 | 170.5 | -60.3 | 0 | 0 | 0 | 0 | 112 | E176 R177 K182 | E176-S180 WeakPolarHBondContact O-CB 3.46Å; E176-S180 PolarHBondContact O-N 3.34Å; E176-S180 PolarHBondContact O-OG 3.43Å; R177-S180 PolarHBondContact NH2-O 3.38Å; S180-K182 PolarHBondContact O-N 3.34Å |
| 181 | N | 83.1 | Confident | 85.7 | Confident | 105 Ų | 105 | 87.1 Ų | 87.1 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | trans | -53.4 | 137.4 | 174.1 | -172.3 | -35 | 0 | 0 | 0 | 110.7 | R177 L183 T184 | R177-N181 PolarHBondContact NH2-O 2.95Å; N181-L183 PolarHBondContact O-N 2.94Å; N181-L183 PolarHBondContact OD1-N 3.25Å; N181-T184 WeakPolarHBondContact O-CB 3.15Å; N181-T184 PolarHBondContact O-N 3.29Å | ||
| 182 | K | 79.1 | Confident | 85.7 | Confident | 188 Ų | 188 | 92 Ų | 92 | 82% | 0.817 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34 | 177.8 | -175.9 | 179.8 | 177 | -171.6 | 0 | 112.7 | S180 T184 | S180-K182 PolarHBondContact O-N 3.34Å; K182-T184 VanDerWaalsContact C-N 3.3Å |
| 183 | L | 83.4 | Confident | 85.7 | Confident | 148 Ų | 148 | 96.5 Ų | 96.5 | 78% | 0.775 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -16.5 | -179.3 | -60.4 | 177.3 | 0 | 0 | 0 | 113.1 | N181 S185 | N181-L183 PolarHBondContact O-N 2.94Å; N181-L183 PolarHBondContact OD1-N 3.25Å; L183-S185 PolarHBondContact O-N 2.8Å |
| 184 | T | 82.6 | Confident | 85.8 | Confident | 62 Ų | 62 | 96.7 Ų | 96.7 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | trans | -81.5 | 105.1 | 177.4 | -50.6 | 0 | 0 | 0 | 0 | 109.4 | R177 N181 K182 | R177-T184 PolarHBondContact NH1-O 3.45Å; N181-T184 WeakPolarHBondContact O-CB 3.15Å; N181-T184 PolarHBondContact O-N 3.29Å; K182-T184 VanDerWaalsContact C-N 3.3Å | ||
| 185 | S | 83.4 | Confident | 85.6 | Confident | 97 Ų | 97 | 95.9 Ų | 95.9 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | trans | -126.7 | 16.2 | 179.1 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | L183 L187 | L183-S185 PolarHBondContact O-N 2.8Å; S185-L187 PolarHBondContact O-N 2.82Å | ||
| 186 | D | 88.3 | Confident | 85.6 | Confident | 93 Ų | 93 | 99.7 Ų | 99.7 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | trans | -73.9 | 113.9 | 177.4 | -173.9 | -14.8 | 0 | 0 | 0 | 110.8 | T188 F189 A190 | D186-T188 PolarHBondContact OD1-N 3.1Å; D186-F189 HydrophobicContact CB-CB 4.13Å; D186-F189 PolarHBondContact OD1-N 3.21Å; D186-A190 WeakPolarHBondContact O-CB 3.43Å; D186-A190 PolarHBondContact O-N 3.07Å | ||
| 187 | L | 87.4 | Confident | 85.5 | Confident | 148 Ų | 148 | 102 Ų | 102 | 78% | 0.775 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.6 | -33.8 | -178.3 | -62.1 | 176.4 | 0 | 0 | 0 | 112.7 | S185 A190 Y191 | S185-L187 PolarHBondContact O-N 2.82Å; L187-A190 PolarHBondContact O-N 3.35Å; L187-Y191 WeakPolarHBondContact O-CB 3.41Å; L187-Y191 PolarHBondContact O-N 3.05Å |
| 188 | T | 88.1 | Confident | 85.4 | Confident | 95 Ų | 95 | 103.7 Ų | 103.7 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.9 | -46.6 | -178.4 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | D186 A190 Y191 E192 | D186-T188 PolarHBondContact OD1-N 3.1Å; T188-A190 VanDerWaalsContact C-N 3.32Å; T188-A190 PolarHBondContact O-N 3.17Å; T188-Y191 PolarHBondContact O-N 3.42Å; T188-E192 PolarHBondContact O-N 3.03Å; T188-E192 VanDerWaalsContact O-N 3.15Å |
| 189 | F | 86.9 | Confident | 85.2 | Confident | 103 Ų | 103 | 102.8 Ų | 102.8 | 45% | 0.452 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 176.9 | -173.4 | -109.8 | 0 | 0 | 0 | 112.7 | D186 R193 | D186-F189 HydrophobicContact CB-CB 4.13Å; D186-F189 PolarHBondContact OD1-N 3.21Å; F189-R193 PolarHBondContact O-N 3.17Å |
| 190 | A | 87.3 | Confident | 85.2 | Confident | 21 Ų | 21 | 99.1 Ų | 99.1 | 17% | 0.174 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | E176 D186 L187 T188 E192 R193 L194 | E176-A190 VanDerWaalsContact OE1-CA 3.27Å; E176-A190 WeakPolarHBondContact OE1-CA 3.35Å; E176-A190 VanDerWaalsContact OE1-CB 3.27Å; E176-A190 WeakPolarHBondContact OE1-CB 3.43Å; D186-A190 WeakPolarHBondContact O-CB 3.43Å; D186-A190 PolarHBondContact O-N 3.07Å; L187-A190 PolarHBondContact O-N 3.35Å; T188-A190 VanDerWaalsContact C-N 3.32Å; T188-A190 PolarHBondContact O-N 3.17Å; A190-E192 PolarHBondContact O-N 3.47Å; A190-R193 PolarHBondContact O-N 3.47Å; A190-L194 WeakPolarHBondContact O-CB 3.22Å; A190-L194 WeakPolarHBondContact O-CG 3.36Å; A190-L194 PolarHBondContact O-N 3.01Å |
| 191 | Y | 87.3 | Confident | 84.9 | Confident | 168 Ų | 168 | 98.8 Ų | 98.8 | 66% | 0.659 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.4 | -44.6 | -179.1 | -178.6 | -95 | 0 | 0 | 0 | 112.8 | L187 T188 L194 S195 | L187-Y191 WeakPolarHBondContact O-CB 3.41Å; L187-Y191 PolarHBondContact O-N 3.05Å; T188-Y191 PolarHBondContact O-N 3.42Å; Y191-L194 PolarHBondContact O-N 3.31Å; Y191-S195 VanDerWaalsContact O-CB 3.25Å; Y191-S195 WeakPolarHBondContact O-CB 3.36Å; Y191-S195 PolarHBondContact O-N 3.49Å; Y191-S195 PolarHBondContact O-OG 2.87Å |
| 192 | E | 87.6 | Confident | 84.5 | Confident | 124 Ų | 124 | 98 Ų | 98 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61 | -47.1 | 178.6 | -71.1 | -178.4 | 173.2 | 0 | 0 | 111.6 | T188 A190 S195 H196 | T188-E192 PolarHBondContact O-N 3.03Å; T188-E192 VanDerWaalsContact O-N 3.15Å; A190-E192 PolarHBondContact O-N 3.47Å; E192-S195 PolarHBondContact O-N 3.47Å; E192-H196 PolarHBondContact O-N 3.21Å |
| 193 | R | 87.3 | Confident | 84.2 | Confident | 103 Ų | 103 | 98 Ų | 98 | 39% | 0.389 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 178.3 | -79.5 | 178.9 | 42.7 | -99.4 | -10.5 | 112.9 | E176 F189 A190 S195 H196 F197 | E176-R193 IonicContact OE1-CZ 3.46Å; E176-R193 IonicContact OE1-NH1 2.63Å; E176-R193 PolarHBondContact OE1-NH1 3.33Å; E176-R193 IonicContact OE1-NH2 3.58Å; F189-R193 PolarHBondContact O-N 3.17Å; A190-R193 PolarHBondContact O-N 3.47Å; R193-S195 VanDerWaalsContact C-N 3.33Å; R193-S195 PolarHBondContact O-N 2.76Å; R193-H196 PolarHBondContact O-N 3.39Å; R193-F197 WeakPolarHBondContact O-CB 3.41Å; R193-F197 PolarHBondContact O-N 2.93Å |
| 194 | L | 87.6 | Confident | 83.6 | Confident | 51 Ų | 51 | 96.1 Ų | 96.1 | 27% | 0.267 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 177 | -75.5 | 177.9 | 0 | 0 | 0 | 112.3 | A173 E176 A190 Y191 F197 R198 | A173-L194 HydrophobicContact CB-CD1 4.31Å; E176-L194 HydrophobicContact CB-CD2 4.37Å; E176-L194 WeakPolarHBondContact OE2-CD1 3.43Å; E176-L194 VanDerWaalsContact OE2-CD2 3.31Å; E176-L194 WeakPolarHBondContact OE2-CD2 3.35Å; E176-L194 WeakPolarHBondContact OE2-CG 3.25Å; A190-L194 WeakPolarHBondContact O-CB 3.22Å; A190-L194 WeakPolarHBondContact O-CG 3.36Å; A190-L194 PolarHBondContact O-N 3.01Å; Y191-L194 PolarHBondContact O-N 3.31Å; L194-F197 PolarHBondContact O-N 3.03Å; L194-R198 WeakPolarHBondContact O-CB 3.34Å; L194-R198 PolarHBondContact O-N 3.14Å |
| 195 | S | 84.8 | Confident | 82.6 | Confident | 43 Ų | 43 | 96.9 Ų | 96.9 | 30% | 0.301 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 177.4 | -64.1 | 0 | 0 | 0 | 0 | 111 | Y191 E192 R193 R198 C199 | Y191-S195 VanDerWaalsContact O-CB 3.25Å; Y191-S195 WeakPolarHBondContact O-CB 3.36Å; Y191-S195 PolarHBondContact O-N 3.49Å; Y191-S195 PolarHBondContact O-OG 2.87Å; E192-S195 PolarHBondContact O-N 3.47Å; R193-S195 VanDerWaalsContact C-N 3.33Å; R193-S195 PolarHBondContact O-N 2.76Å; S195-R198 PolarHBondContact O-N 2.88Å; S195-C199 PolarHBondContact O-N 3.33Å; S195-C199 VanDerWaalsContact O-N 3.17Å; S195-C199 PolarHBondContact O-SG 3.06Å |
| 196 | H | 85.9 | Confident | 81.2 | Confident | 111 Ų | 111 | 95.6 Ų | 95.6 | 51% | 0.514 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 173.8 | -173.7 | -91.5 | 0 | 0 | 0 | 111.9 | E192 R193 R198 C199 E200 | E192-H196 PolarHBondContact O-N 3.21Å; R193-H196 PolarHBondContact O-N 3.39Å; H196-R198 VanDerWaalsContact C-N 3.31Å; H196-R198 PolarHBondContact O-N 3.31Å; H196-C199 WeakPolarHBondContact O-CB 3.44Å; H196-C199 PolarHBondContact O-N 3.37Å; H196-C199 VanDerWaalsContact O-N 3.07Å; H196-E200 IonicContact CE1-OE1 3.17Å; H196-E200 PolarHBondContact CE1-OE1 3.3Å; H196-E200 IonicContact ND1-OE1 3.81Å; H196-E200 PolarHBondContact O-N 2.81Å |
| 197 | F | 85.1 | Confident | 79.3 | Confident | 77 Ų | 77 | 100.8 Ų | 100.8 | 34% | 0.338 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 179 | -178.3 | -112.2 | 0 | 0 | 0 | 112.4 | R193 L194 C199 E200 L201 | R193-F197 WeakPolarHBondContact O-CB 3.41Å; R193-F197 PolarHBondContact O-N 2.93Å; L194-F197 PolarHBondContact O-N 3.03Å; F197-C199 PolarHBondContact O-N 2.97Å; F197-E200 PolarHBondContact O-N 3.38Å; F197-L201 HydrophobicContact CD1-CD1 3.92Å; F197-L201 HydrophobicContact CE1-CD1 3.45Å; F197-L201 VanDerWaalsContact CE1-CD1 3.45Å; F197-L201 HydrophobicContact CE1-CG 4.17Å; F197-L201 HydrophobicContact CE2-CG 4.43Å; F197-L201 HydrophobicContact CZ-CD1 3.81Å; F197-L201 HydrophobicContact CZ-CD2 4.25Å; F197-L201 HydrophobicContact CZ-CG 4.13Å; F197-L201 WeakPolarHBondContact O-CG 3.31Å; F197-L201 PolarHBondContact O-N 2.97Å |
| 198 | R | 82.9 | Confident | 77.2 | Confident | 156 Ų | 156 | 105.6 Ų | 105.6 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | 174 | 177.5 | 179.8 | 173.1 | -178.8 | -2.5 | 111.8 | L194 S195 H196 E200 L201 L202 | L194-R198 WeakPolarHBondContact O-CB 3.34Å; L194-R198 PolarHBondContact O-N 3.14Å; S195-R198 PolarHBondContact O-N 2.88Å; H196-R198 VanDerWaalsContact C-N 3.31Å; H196-R198 PolarHBondContact O-N 3.31Å; R198-E200 VanDerWaalsContact C-N 3.33Å; R198-E200 PolarHBondContact O-N 3.05Å; R198-L201 PolarHBondContact O-N 3.31Å; R198-L202 HydrophobicContact CG-CD1 4.2Å; R198-L202 WeakPolarHBondContact O-CG 3.39Å; R198-L202 PolarHBondContact O-N 3.07Å |
| 199 | C | 81.9 | Confident | 74.9 | Confident | 66 Ų | 66 | 108.6 Ų | 108.6 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 178.2 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | S195 H196 F197 R203 | S195-C199 PolarHBondContact O-N 3.33Å; S195-C199 VanDerWaalsContact O-N 3.17Å; S195-C199 PolarHBondContact O-SG 3.06Å; H196-C199 WeakPolarHBondContact O-CB 3.44Å; H196-C199 PolarHBondContact O-N 3.37Å; H196-C199 VanDerWaalsContact O-N 3.07Å; F197-C199 PolarHBondContact O-N 2.97Å; C199-R203 WeakPolarHBondContact O-CG 3.31Å; C199-R203 PolarHBondContact O-N 2.9Å |
| 200 | E | 83.4 | Confident | 72.4 | Confident | 89 Ų | 89 | 109.4 Ų | 109.4 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 173.4 | -71.4 | -172.7 | 151 | 0 | 0 | 112.2 | H196 F197 R198 L202 R203 L204 | H196-E200 IonicContact CE1-OE1 3.17Å; H196-E200 PolarHBondContact CE1-OE1 3.3Å; H196-E200 IonicContact ND1-OE1 3.81Å; H196-E200 PolarHBondContact O-N 2.81Å; F197-E200 PolarHBondContact O-N 3.38Å; R198-E200 VanDerWaalsContact C-N 3.33Å; R198-E200 PolarHBondContact O-N 3.05Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 3.46Å; E200-R203 WeakPolarHBondContact O-CB 3.42Å; E200-R203 PolarHBondContact O-N 3.1Å; E200-R203 VanDerWaalsContact O-N 3.14Å; E200-L204 WeakPolarHBondContact O-CG 3.27Å; E200-L204 PolarHBondContact O-N 2.98Å |
| 201 | L | 79.1 | Confident | 69.7 | Low | 26 Ų | 26 | 114.8 Ų | 114.8 | 14% | 0.136 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 178.3 | -72.7 | 177.6 | 0 | 0 | 0 | 112.5 | W168 P169 F197 R198 L204 Q205 | W168-L201 HydrophobicContact CB-CD1 4.09Å; P169-L201 HydrophobicContact CG-CD1 4.23Å; F197-L201 HydrophobicContact CD1-CD1 3.92Å; F197-L201 HydrophobicContact CE1-CD1 3.45Å; F197-L201 VanDerWaalsContact CE1-CD1 3.45Å; F197-L201 HydrophobicContact CE1-CG 4.17Å; F197-L201 HydrophobicContact CE2-CG 4.43Å; F197-L201 HydrophobicContact CZ-CD1 3.81Å; F197-L201 HydrophobicContact CZ-CD2 4.25Å; F197-L201 HydrophobicContact CZ-CG 4.13Å; F197-L201 WeakPolarHBondContact O-CG 3.31Å; F197-L201 PolarHBondContact O-N 2.97Å; R198-L201 PolarHBondContact O-N 3.31Å; L201-L204 PolarHBondContact O-N 2.84Å; L201-Q205 WeakPolarHBondContact O-CG 3.4Å; L201-Q205 PolarHBondContact O-N 2.85Å |
| 202 | L | 74.3 | Confident | 67 | Low | 90 Ų | 90 | 116.9 Ų | 116.9 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -37.8 | 175.7 | -69.6 | 172.6 | 0 | 0 | 0 | 111.9 | R198 E200 L204 Q205 G206 | R198-L202 HydrophobicContact CG-CD1 4.2Å; R198-L202 WeakPolarHBondContact O-CG 3.39Å; R198-L202 PolarHBondContact O-N 3.07Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 3.46Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-Q205 PolarHBondContact O-N 3.05Å; L202-G206 PolarHBondContact O-N 3.43Å |
| 203 | R | 74.1 | Confident | 64.4 | Low | 186 Ų | 186 | 118.7 Ų | 118.7 | 70% | 0.702 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.4 | -38.6 | 174 | -78.4 | 175.3 | 166 | 153.5 | -1.8 | 112.2 | C199 E200 | C199-R203 WeakPolarHBondContact O-CG 3.31Å; C199-R203 PolarHBondContact O-N 2.9Å; E200-R203 WeakPolarHBondContact O-CB 3.42Å; E200-R203 PolarHBondContact O-N 3.1Å; E200-R203 VanDerWaalsContact O-N 3.14Å |
| 204 | L | 69.8 | Low | 61.8 | Low | 110 Ų | 110 | 124.3 Ų | 124.3 | 58% | 0.576 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73.5 | -35.6 | 178.5 | -67.3 | 174.7 | 0 | 0 | 0 | 112.4 | E200 L201 L202 G206 R207 | E200-L204 WeakPolarHBondContact O-CG 3.27Å; E200-L204 PolarHBondContact O-N 2.98Å; L201-L204 PolarHBondContact O-N 2.84Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L204-G206 VanDerWaalsContact C-N 3.25Å; L204-G206 PolarHBondContact O-N 3.22Å; L204-R207 CarbonylContact O-C 3.55Å; L204-R207 PolarHBondContact O-N 3.23Å |
| 205 | Q | 62.4 | Low | 59.3 | Low | 77 Ų | 77 | 125.1 Ų | 125.1 | 36% | 0.36 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.1 | -27.7 | 176.3 | -78.6 | 169.1 | 18 | 0 | 0 | 113.8 | P165 L201 L202 R207 | P165-Q205 VanDerWaalsContact CB-CD 3.44Å; P165-Q205 HydrophobicContact CB-CG 4.39Å; P165-Q205 VanDerWaalsContact CB-OE1 3.27Å; L201-Q205 WeakPolarHBondContact O-CG 3.4Å; L201-Q205 PolarHBondContact O-N 2.85Å; L202-Q205 PolarHBondContact O-N 3.05Å; Q205-R207 PolarHBondContact O-N 3.14Å |
| 206 | G | 53.3 | Low | 56.8 | Low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -13.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L202 L204 | L202-G206 PolarHBondContact O-N 3.43Å; L204-G206 VanDerWaalsContact C-N 3.25Å; L204-G206 PolarHBondContact O-N 3.22Å |
| 207 | R | 48.3 | Very low | 54.3 | Low | 202 Ų | 202 | 137.4 Ų | 137.4 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -115.5 | 97.8 | 174.5 | -65.3 | -177.1 | -177.8 | -167.8 | 0.4 | 108 | L204 Q205 M209 | L204-R207 CarbonylContact O-C 3.55Å; L204-R207 PolarHBondContact O-N 3.23Å; Q205-R207 PolarHBondContact O-N 3.14Å; R207-M209 PolarHBondContact O-N 3.37Å |
| 208 | R | 43.8 | Very low | 51.9 | Low | 249 Ų | 249 | 140.3 Ų | 140.3 | 94% | 0.94 | 68% | 0.678 | S | S | * | * | trans | -36.9 | 106.4 | 173.3 | -78.6 | -177.6 | -94.1 | -175.6 | -6.7 | 110.3 | C210 | R208-C210 VanDerWaalsContact C-N 3.32Å; R208-C210 PolarHBondContact O-N 2.77Å | ||
| 209 | M | 39.6 | Very low | 49.7 | Very low | 158 Ų | 158 | 138 Ų | 138 | 78% | 0.778 | 68% | 0.681 | S | S | * | * | trans | -70.8 | 92.8 | 179 | -177.8 | 158.5 | 159.9 | 0 | 0 | 107.5 | R207 L211 | R207-M209 PolarHBondContact O-N 3.37Å; M209-L211 HydrophobicContact CE-CG 4.33Å; M209-L211 PolarHBondContact O-N 3.01Å; M209-L211 VanDerWaalsContact O-N 3.1Å | ||
| 210 | C | 35.2 | Very low | 47.1 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -74.4 | 95.8 | 168.4 | -156.4 | 0 | 0 | 0 | 0 | 106.7 | R208 R212 | R208-C210 VanDerWaalsContact C-N 3.32Å; R208-C210 PolarHBondContact O-N 2.77Å; C210-R212 VanDerWaalsContact C-N 3.26Å; C210-R212 PolarHBondContact O-N 2.91Å | ||
| 211 | L | 30.8 | Very low | 44.8 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 71% | 0.707 | 72% | 0.715 | S | S | * | * | trans | -61 | 93.7 | 164.9 | -94.7 | 156.9 | 0 | 0 | 0 | 107.6 | M209 L213 | M209-L211 HydrophobicContact CE-CG 4.33Å; M209-L211 PolarHBondContact O-N 3.01Å; M209-L211 VanDerWaalsContact O-N 3.1Å; L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 2.9Å | ||
| 212 | R | 29.3 | Very low | 42.6 | Very low | 212 Ų | 212 | 151 Ų | 151 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | -72 | 95.6 | 167 | -164.5 | 174.7 | -166.8 | 168.8 | 4.2 | 106.6 | C210 R214 | C210-R212 VanDerWaalsContact C-N 3.26Å; C210-R212 PolarHBondContact O-N 2.91Å; R212-R214 PolarHBondContact O-N 3.04Å | ||
| 213 | L | 33.9 | Very low | 40.9 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | -59 | 92.5 | 164.1 | -68 | 172.3 | 0 | 0 | 0 | 107.4 | L211 G215 | L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 2.9Å; L213-G215 PolarHBondContact O-N 3.39Å; L213-G215 VanDerWaalsContact O-N 3.1Å | ||
| 214 | R | 33.3 | Very low | 39 | Very low | 220 Ų | 220 | 152.9 Ų | 152.9 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -70.2 | 103.6 | 164 | -85.7 | -168.5 | 179.2 | -172.5 | 1.4 | 106.2 | R212 K216 | R212-R214 PolarHBondContact O-N 3.04Å; R214-K216 PolarHBondContact O-N 3.36Å | ||
| 215 | G | 34 | Very low | 37.4 | Very low | 69 Ų | 69 | 157.2 Ų | 157.2 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -51.1 | 122.6 | 164 | 0 | 0 | 0 | 0 | 0 | 109.1 | L213 K217 | L213-G215 PolarHBondContact O-N 3.39Å; L213-G215 VanDerWaalsContact O-N 3.1Å; G215-K217 PolarHBondContact O-N 2.64Å; G215-K217 VanDerWaalsContact O-N 3.1Å | ||
| 216 | K | 33 | Very low | 36.2 | Very low | 207 Ų | 207 | 160 Ų | 160 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | trans | -59.7 | 109.8 | 167 | -75.9 | -177.7 | 173.6 | -179 | 0 | 107.4 | R214 | R214-K216 PolarHBondContact O-N 3.36Š| ||
| 217 | K | 32 | Very low | 35.5 | Very low | 204 Ų | 204 | 167.1 Ų | 167.1 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77 | 119.9 | 151.5 | -90.9 | -171.5 | 175.4 | -176.1 | 0 | 106.6 | G215 | G215-K217 PolarHBondContact O-N 2.64Å; G215-K217 VanDerWaalsContact O-N 3.1Å |
| 218 | V | 36.1 | Very low | 34.8 | Very low | 138 Ų | 138 | 165.4 Ų | 165.4 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 129.8 | 171.7 | 172.2 | 0 | 0 | 0 | 0 | 108.3 | ||
| 219 | V | 35.7 | Very low | 34.4 | Very low | 107 Ų | 107 | 160.9 Ų | 160.9 | 65% | 0.648 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 134.9 | 171.1 | 173 | 0 | 0 | 0 | 0 | 108.7 | ||
| 220 | K | 28.3 | Very low | 34.1 | Very low | 188 Ų | 188 | 161.1 Ų | 161.1 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | trans | -126.1 | 98.1 | 156.6 | -152.7 | 179.4 | -172.8 | -175.1 | 0 | 106.7 | T222 | K220-T222 PolarHBondContact O-N 3.48Š| ||
| 221 | D | 34.5 | Very low | 34 | Very low | 145 Ų | 145 | 163.6 Ų | 163.6 | 78% | 0.775 | 82% | 0.817 | S | S | * | * | trans | -68 | 121.3 | 163.7 | -66.7 | -42.9 | 0 | 0 | 0 | 107.2 | ||||
| 222 | T | 32.8 | Very low | 34.2 | Very low | 123 Ų | 123 | 165.4 Ų | 165.4 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | -143 | 110.5 | 153.8 | 41.4 | 0 | 0 | 0 | 0 | 108.1 | K220 | K220-T222 PolarHBondContact O-N 3.48Š| ||
| 223 | E | 39.5 | Very low | 34.5 | Very low | 180 Ų | 180 | 162.3 Ų | 162.3 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | trans | -57.2 | 134.2 | 161.4 | -173.4 | 168.6 | -169.3 | 0 | 0 | 111.5 | ||||
| 224 | D | 32.5 | Very low | 34.6 | Very low | 135 Ų | 135 | 162.3 Ų | 162.3 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | -176.4 | 107.7 | 146.5 | -99.3 | -24.7 | 0 | 0 | 0 | 107.1 | ||||
| 225 | R | 38.2 | Very low | 34.7 | Very low | 200 Ų | 200 | 157.8 Ų | 157.8 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | 64.4 | 116.4 | 87.6 | -96.6 | -164.2 | -76.9 | -163.5 | -7 | 115.4 | |||||
| 226 | D | 36.3 | Very low | 34.7 | Very low | 137 Ų | 137 | 165.3 Ų | 165.3 | 73% | 0.733 | 83% | 0.833 | S | S | * | * | trans | 71.2 | 129.9 | 141.6 | -52.9 | -32.6 | 0 | 0 | 0 | 121.6 | ||||
| 227 | V | 37.9 | Very low | 34.9 | Very low | 219 Ų | 219 | 161.5 Ų | 161.5 | 100% | 1.327 | 83% | 0.827 | S | S | * | * | trans | 100.8 | 0 | 160.6 | -167.4 | 0 | 0 | 0 | 0 | 116.6 |
Retrieved 227 of 227 residues in 227.2 ms
(Link to these results)