| 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 | 34.3 | Very low | 36.4 | Very low | 238 Ų | 238 | 151.1 Ų | 151.1 | 100% | 1.172 | 83% | 0.83 | S | S | * | * | 0 | 145 | 0 | -97.6 | 76.6 | 172.7 | 0 | 0 | 108.8 | |||||
| 2 | E | 35.1 | Very low | 36 | Very low | 198 Ų | 198 | 148 Ų | 148 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -85.2 | 162.3 | -166.2 | -56.8 | 127.5 | 133 | 0 | 0 | 114 | ||||
| 3 | G | 33.2 | Very low | 35.5 | Very low | 64 Ų | 64 | 142.2 Ų | 142.2 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | trans | 165.9 | 119.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 4 | F | 33.9 | Very low | 35.6 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | 87.8 | 99.9 | 151.5 | -64.2 | -83.4 | 0 | 0 | 0 | 122.2 | ||||
| 5 | L | 38.5 | Very low | 35.2 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | 54.9 | 128.2 | 127.4 | -59.2 | 178.9 | 0 | 0 | 0 | 121.5 | |||||
| 6 | S | 33 | Very low | 35.3 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | -148.3 | 134.2 | 139 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 7 | T | 44.1 | Very low | 36.1 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 71% | 0.712 | 83% | 0.828 | S | S | * | * | trans | -121.8 | 118.3 | 177.2 | -66.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 8 | F | 32.4 | Very low | 36.3 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | -152.8 | 129.8 | 157 | -75.9 | -64.5 | 0 | 0 | 0 | 112.7 | ||||
| 9 | L | 40.1 | Very low | 36.1 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -84.5 | 167.3 | 155 | -114.4 | 78.3 | 0 | 0 | 0 | 108 | ||||
| 10 | P | 47.3 | Very low | 36.5 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | -161.8 | 173.9 | 54.4 | 45.4 | -23.1 | 0 | 0 | 0 | 120.8 | |||||
| 11 | C | 28.8 | Very low | 36.3 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | 66.2 | 128.9 | 142.1 | -118.6 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 12 | S | 31 | Very low | 36.4 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 89.8 | 135.1 | 132.2 | -150.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 13 | G | 29.8 | Very low | 36 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 160 | 99.1 | 170 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 14 | Y | 36.3 | Very low | 36.6 | Very low | 241 Ų | 241 | 136.8 Ų | 136.8 | 95% | 0.945 | 83% | 0.83 | S | S | * | * | trans | -85.4 | 145.4 | 170.6 | -76.2 | -96.8 | 0 | 0 | 0 | 111.2 | ||||
| 15 | G | 30.6 | Very low | 36.7 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -176.2 | 143.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 16 | A | 36.5 | Very low | 37 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -92.4 | 174.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 17 | P | 48.9 | Very low | 37.1 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | trans | -95 | 170.8 | -160.6 | 38.9 | -37.5 | 0 | 0 | 0 | 114.9 | ||||
| 18 | P | 38.9 | Very low | 36.9 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -122 | 143.4 | 156.7 | 36.5 | -25.5 | 0 | 0 | 0 | 115.3 | ||||
| 19 | A | 33.6 | Very low | 37.4 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | 61.6 | 124.9 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 20 | Q | 44.3 | Very low | 37.6 | Very low | 203 Ų | 203 | 127.5 Ų | 127.5 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | trans | -65.1 | 136.4 | 158.1 | -67.6 | 171.9 | -31.9 | 0 | 0 | 110.9 | ||||
| 21 | G | 30.8 | Very low | 37.5 | Very low | 74 Ų | 74 | 131.4 Ų | 131.4 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -140.5 | 106.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 22 | G | 37.1 | Very low | 38.6 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 92% | 0.918 | 82% | 0.815 | S | S | * | * | trans | -73.8 | 131.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 23 | S | 28 | Very low | 39.5 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -142.1 | 117.7 | 165.2 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | G25 | S23-G25 PolarHBondContact O-N 3.33Å; S23-G25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | W | 45.4 | Very low | 40.3 | Very low | 275 Ų | 275 | 134 Ų | 134 | 100% | 1.042 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 102.9 | 177.1 | -83.1 | -26.1 | 0 | 0 | 0 | 110.3 | ||||
| 25 | G | 34.6 | Very low | 41.1 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | -140.5 | 85.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | S23 | S23-G25 PolarHBondContact O-N 3.33Å; S23-G25 VanDerWaalsContact O-N 3.14Å | ||
| 26 | K | 46.1 | Very low | 42.5 | Very low | 214 Ų | 214 | 132.2 Ų | 132.2 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | 51.2 | 75 | 145.7 | -156.7 | 169.1 | -174.3 | 175.4 | 0 | 117.4 | ||||
| 27 | G | 35.6 | Very low | 43.5 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -85.8 | 116.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G29 | G27-G29 PolarHBondContact O-N 2.91Š| ||
| 28 | E | 39.1 | Very low | 44.7 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 64% | 0.64 | 77% | 0.77 | S | S | * | * | trans | -70.4 | 117.2 | -179.9 | -154.4 | 174.7 | 173.2 | 0 | 0 | 110.8 | R30 | E28-R30 VanDerWaalsContact CD-CZ 3.46Å; E28-R30 PolarHBondContact O-N 2.85Å; E28-R30 IonicContact OE1-CZ 3.35Å; E28-R30 IonicContact OE1-NH1 2.69Å; E28-R30 PolarHBondContact OE1-NH1 3.38Å; E28-R30 IonicContact OE1-NH2 2.76Å; E28-R30 IonicContact OE2-CZ 2.73Å; E28-R30 VanDerWaalsContact OE2-CZ 3.24Å; E28-R30 IonicContact OE2-NH1 3.2Å; E28-R30 PolarHBondContact OE2-NH1 2.93Å; E28-R30 IonicContact OE2-NH2 3.31Å; E28-R30 PolarHBondContact OE2-NH2 2.84Å | ||
| 29 | G | 42.9 | Very low | 46.5 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -71.1 | 50.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G27 F31 | G27-G29 PolarHBondContact O-N 2.91Å; G29-F31 PolarHBondContact O-N 3.45Å | ||
| 30 | R | 43.7 | Very low | 48.5 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | trans | -80.4 | 102.6 | 168.6 | -75.5 | -164.9 | -81.2 | -88.2 | -8.5 | 109.4 | E28 L32 | E28-R30 VanDerWaalsContact CD-CZ 3.46Å; E28-R30 PolarHBondContact O-N 2.85Å; E28-R30 IonicContact OE1-CZ 3.35Å; E28-R30 IonicContact OE1-NH1 2.69Å; E28-R30 PolarHBondContact OE1-NH1 3.38Å; E28-R30 IonicContact OE1-NH2 2.76Å; E28-R30 IonicContact OE2-CZ 2.73Å; E28-R30 VanDerWaalsContact OE2-CZ 3.24Å; E28-R30 IonicContact OE2-NH1 3.2Å; E28-R30 PolarHBondContact OE2-NH1 2.93Å; E28-R30 IonicContact OE2-NH2 3.31Å; E28-R30 PolarHBondContact OE2-NH2 2.84Å; R30-L32 HydrophobicContact CB-CG 4.39Å; R30-L32 PolarHBondContact O-N 3.41Å | ||
| 31 | F | 45.7 | Very low | 50 | Low | 198 Ų | 198 | 128.1 Ų | 128.1 | 87% | 0.868 | 73% | 0.727 | S | S | * | * | trans | -65.9 | 82.5 | 157.8 | -78.1 | -83.7 | 0 | 0 | 0 | 109.2 | G29 I33 | G29-F31 PolarHBondContact O-N 3.45Å; F31-I33 PolarHBondContact O-N 2.05Å; F31-I33 VanDerWaalsContact O-N 3.17Å | ||
| 32 | L | 51.2 | Low | 52.4 | Low | 140 Ų | 140 | 127.4 Ų | 127.4 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | trans | -68.9 | 105.4 | 163.9 | -71.4 | 171.1 | 0 | 0 | 0 | 107.3 | R30 P34 | R30-L32 HydrophobicContact CB-CG 4.39Å; R30-L32 PolarHBondContact O-N 3.41Å; L32-P34 WeakPolarHBondContact O-CD 3.47Å | ||
| 33 | I | 51.2 | Low | 54.2 | Low | 139 Ų | 139 | 125.1 Ų | 125.1 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | trans | -67.4 | 114.8 | 164.9 | -58.3 | 174.7 | 0 | 0 | 0 | 106.2 | F31 Q35 | F31-I33 PolarHBondContact O-N 2.05Å; F31-I33 VanDerWaalsContact O-N 3.17Å; I33-Q35 PolarHBondContact O-N 2.99Å | ||
| 34 | P | 46.8 | Very low | 56.4 | Low | 81 Ų | 81 | 125.2 Ų | 125.2 | 53% | 0.526 | 66% | 0.66 | S | S | . | * | trans | -65.4 | 126.4 | 177 | -17.9 | 32.9 | 0 | 0 | 0 | 108.9 | L32 G36 L37 | L32-P34 WeakPolarHBondContact O-CD 3.47Å; P34-G36 PolarHBondContact O-N 2.73Å; P34-L37 HydrophobicContact CG-CD1 4.2Å | ||
| 35 | Q | 52.8 | Low | 57.8 | Low | 206 Ų | 206 | 115.2 Ų | 115.2 | 96% | 0.963 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 105 | 171.5 | -69.1 | -175.5 | -6.2 | 0 | 0 | 108.5 | I33 | I33-Q35 PolarHBondContact O-N 2.99Š|
| 36 | G | 58.4 | Low | 60 | Low | 78 Ų | 78 | 116.6 Ų | 116.6 | 80% | 0.804 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.1 | -21 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | P34 | P34-G36 PolarHBondContact O-N 2.73Š|
| 37 | L | 57.9 | Low | 61.3 | Low | 84 Ų | 84 | 111.8 Ų | 111.8 | 44% | 0.44 | 60% | 0.604 | S | S | . | * | trans | -76.7 | 136 | -176.7 | -61.9 | -179.2 | 0 | 0 | 0 | 112.6 | P34 E41 I42 | P34-L37 HydrophobicContact CG-CD1 4.2Å; L37-E41 WeakPolarHBondContact CA-OE2 3.38Å; L37-I42 HydrophobicContact CB-CG1 4.19Å | ||
| 38 | N | 75.6 | Confident | 62.9 | Low | 100 Ų | 100 | 111.4 Ų | 111.4 | 54% | 0.535 | 59% | 0.589 | S | S | . | * | trans | -68.9 | 147.9 | 175.4 | -171.3 | -74.2 | 0 | 0 | 0 | 110.2 | L40 E41 I42 | N38-L40 PolarHBondContact O-N 2.85Å; N38-L40 WeakPolarHBondContact OD1-CB 3.19Å; N38-L40 PolarHBondContact OD1-N 2.81Å; N38-E41 HydrophobicContact CB-CG 4.22Å; N38-E41 PolarHBondContact N-OE2 2.97Å; N38-E41 WeakPolarHBondContact O-CB 3.18Å; N38-E41 PolarHBondContact O-N 2.85Å; N38-I42 PolarHBondContact O-N 2.86Å | ||
| 39 | Y | 75.1 | Confident | 64.3 | Low | 181 Ų | 181 | 111.8 Ų | 111.8 | 71% | 0.71 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -52 | -34 | 177.4 | -176.9 | -98.5 | 0 | 0 | 0 | 112.8 | E41 I42 C43 | Y39-E41 PolarHBondContact O-N 2.96Å; Y39-I42 PolarHBondContact O-N 2.84Å; Y39-C43 PolarHBondContact O-N 2.86Å; Y39-C43 PolarHBondContact O-SG 3.15Å; Y39-C43 VanDerWaalsContact O-SG 3.34Å |
| 40 | L | 76.7 | Confident | 65.7 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 55% | 0.55 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.8 | -35.6 | 176 | -160.6 | 78.7 | 0 | 0 | 0 | 113.1 | N38 K44 | N38-L40 PolarHBondContact O-N 2.85Å; N38-L40 WeakPolarHBondContact OD1-CB 3.19Å; N38-L40 PolarHBondContact OD1-N 2.81Å; L40-K44 WeakPolarHBondContact O-CG 3.45Å; L40-K44 PolarHBondContact O-N 2.95Å |
| 41 | E | 75.9 | Confident | 66.4 | Low | 90 Ų | 90 | 109.4 Ų | 109.4 | 42% | 0.421 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -75.1 | -36.1 | 179.4 | -62.7 | 173.5 | 133.2 | 0 | 0 | 111.6 | L37 N38 Y39 K44 T45 | L37-E41 WeakPolarHBondContact CA-OE2 3.38Å; N38-E41 HydrophobicContact CB-CG 4.22Å; N38-E41 PolarHBondContact N-OE2 2.97Å; N38-E41 WeakPolarHBondContact O-CB 3.18Å; N38-E41 PolarHBondContact O-N 2.85Å; Y39-E41 PolarHBondContact O-N 2.96Å; E41-K44 PolarHBondContact O-N 3.03Å; E41-T45 PolarHBondContact O-N 3.12Å; E41-T45 PolarHBondContact O-OG1 2.85Å |
| 42 | I | 80.9 | Confident | 67.1 | Low | 58 Ų | 58 | 105.2 Ų | 105.2 | 30% | 0.297 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.2 | -45.8 | 171.8 | -60 | 173.2 | 0 | 0 | 0 | 109.7 | L37 N38 Y39 K44 T45 I46 | L37-I42 HydrophobicContact CB-CG1 4.19Å; N38-I42 PolarHBondContact O-N 2.86Å; Y39-I42 PolarHBondContact O-N 2.84Å; I42-K44 PolarHBondContact O-N 3.43Å; I42-T45 WeakPolarHBondContact CA-OG1 3.2Å; I42-T45 PolarHBondContact O-N 3.37Å; I42-T45 PolarHBondContact O-OG1 3.29Å; I42-I46 HydrophobicContact CG2-CD1 3.92Å; I42-I46 VanDerWaalsContact O-CG1 3.29Å; I42-I46 WeakPolarHBondContact O-CG1 3.21Å; I42-I46 PolarHBondContact O-N 2.94Å |
| 43 | C | 74.1 | Confident | 67.3 | Low | 42 Ų | 42 | 103.9 Ų | 103.9 | 28% | 0.284 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.2 | -43.2 | 174.2 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | Y39 I46 L47 | Y39-C43 PolarHBondContact O-N 2.86Å; Y39-C43 PolarHBondContact O-SG 3.15Å; Y39-C43 VanDerWaalsContact O-SG 3.34Å; C43-I46 PolarHBondContact O-N 2.87Å; C43-L47 WeakPolarHBondContact O-CB 3.46Å; C43-L47 VanDerWaalsContact O-CG 3.25Å; C43-L47 WeakPolarHBondContact O-CG 3.15Å; C43-L47 PolarHBondContact O-N 2.99Å |
| 44 | K | 73.8 | Confident | 67.5 | Low | 118 Ų | 118 | 103.5 Ų | 103.5 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.9 | -43.9 | 177.8 | -76.5 | 175 | 179.7 | -174 | 0 | 112.6 | L40 E41 I42 L47 S48 | L40-K44 WeakPolarHBondContact O-CG 3.45Å; L40-K44 PolarHBondContact O-N 2.95Å; E41-K44 PolarHBondContact O-N 3.03Å; I42-K44 PolarHBondContact O-N 3.43Å; K44-L47 PolarHBondContact O-N 3.1Å; K44-S48 PolarHBondContact O-N 3.12Å; K44-S48 PolarHBondContact O-OG 2.72Å |
| 45 | T | 74.8 | Confident | 68 | Low | 66 Ų | 66 | 104.9 Ų | 104.9 | 41% | 0.405 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.3 | -36.1 | 179.1 | 39.9 | 0 | 0 | 0 | 0 | 112.9 | E41 I42 S48 Q49 | E41-T45 PolarHBondContact O-N 3.12Å; E41-T45 PolarHBondContact O-OG1 2.85Å; I42-T45 WeakPolarHBondContact CA-OG1 3.2Å; I42-T45 PolarHBondContact O-N 3.37Å; I42-T45 PolarHBondContact O-OG1 3.29Å; T45-S48 PolarHBondContact O-OG 2.88Å; T45-S48 VanDerWaalsContact O-OG 3.1Å; T45-Q49 VanDerWaalsContact O-CG 3.3Å; T45-Q49 WeakPolarHBondContact O-CG 3.07Å; T45-Q49 PolarHBondContact O-N 2.84Å |
| 46 | I | 81.1 | Confident | 68.1 | Low | 95 Ų | 95 | 100.6 Ų | 100.6 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.3 | -47.4 | 171.7 | -67.9 | 166.3 | 0 | 0 | 0 | 110.2 | I42 C43 S48 Q49 V50 | I42-I46 HydrophobicContact CG2-CD1 3.92Å; I42-I46 VanDerWaalsContact O-CG1 3.29Å; I42-I46 WeakPolarHBondContact O-CG1 3.21Å; I42-I46 PolarHBondContact O-N 2.94Å; C43-I46 PolarHBondContact O-N 2.87Å; I46-S48 PolarHBondContact O-N 3.14Å; I46-Q49 PolarHBondContact O-N 3.01Å; I46-Q49 VanDerWaalsContact O-N 3.17Å; I46-V50 PolarHBondContact O-N 2.68Å; I46-V50 VanDerWaalsContact O-N 3.16Å |
| 47 | L | 73.1 | Confident | 67.9 | Low | 113 Ų | 113 | 102.3 Ų | 102.3 | 59% | 0.592 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63 | -38.1 | -178.7 | -73.3 | 168.6 | 0 | 0 | 0 | 113.1 | C43 K44 Q49 V50 N51 | C43-L47 WeakPolarHBondContact O-CB 3.46Å; C43-L47 VanDerWaalsContact O-CG 3.25Å; C43-L47 WeakPolarHBondContact O-CG 3.15Å; C43-L47 PolarHBondContact O-N 2.99Å; K44-L47 PolarHBondContact O-N 3.1Å; L47-Q49 VanDerWaalsContact C-N 3.34Å; L47-V50 WeakPolarHBondContact O-CG2 3.11Å; L47-V50 PolarHBondContact O-N 2.75Å; L47-N51 PolarHBondContact O-N 3.18Å |
| 48 | S | 70.1 | Confident | 67.5 | Low | 71 Ų | 71 | 104.1 Ų | 104.1 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.4 | -27.8 | 175.3 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | K44 T45 I46 | K44-S48 PolarHBondContact O-N 3.12Å; K44-S48 PolarHBondContact O-OG 2.72Å; T45-S48 PolarHBondContact O-OG 2.88Å; T45-S48 VanDerWaalsContact O-OG 3.1Å; I46-S48 PolarHBondContact O-N 3.14Å |
| 49 | Q | 67.9 | Low | 66.5 | Low | 144 Ų | 144 | 105.6 Ų | 105.6 | 67% | 0.673 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.1 | -33.9 | 174.8 | -74.2 | 174.8 | 36.4 | 0 | 0 | 113 | T45 I46 L47 | T45-Q49 VanDerWaalsContact O-CG 3.3Å; T45-Q49 WeakPolarHBondContact O-CG 3.07Å; T45-Q49 PolarHBondContact O-N 2.84Å; I46-Q49 PolarHBondContact O-N 3.01Å; I46-Q49 VanDerWaalsContact O-N 3.17Å; L47-Q49 VanDerWaalsContact C-N 3.34Å |
| 50 | V | 71.8 | Confident | 65.3 | Low | 94 Ų | 94 | 99.3 Ų | 99.3 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -85.5 | -17 | 178.3 | -65.6 | 0 | 0 | 0 | 0 | 114.4 | I46 L47 | I46-V50 PolarHBondContact O-N 2.68Å; I46-V50 VanDerWaalsContact O-N 3.16Å; L47-V50 WeakPolarHBondContact O-CG2 3.11Å; L47-V50 PolarHBondContact O-N 2.75Å |
| 51 | N | 59.6 | Low | 64.2 | Low | 94 Ų | 94 | 104.5 Ų | 104.5 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | trans | -139.6 | 78.1 | 175.9 | -76.4 | -71.3 | 0 | 0 | 0 | 111.9 | L47 S53 | L47-N51 PolarHBondContact O-N 3.18Å; N51-S53 PolarHBondContact O-N 3.06Å | ||
| 52 | P | 60.3 | Low | 62.5 | Low | 111 Ų | 111 | 106.3 Ų | 106.3 | 72% | 0.721 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -10.2 | -179.5 | 28.4 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 53 | S | 56.3 | Low | 60.9 | Low | 112 Ų | 112 | 109.4 Ų | 109.4 | 78% | 0.783 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 3.2 | -172.9 | -41.5 | 0 | 0 | 0 | 0 | 115.2 | N51 | N51-S53 PolarHBondContact O-N 3.06Š|
| 54 | L | 55 | Low | 59.7 | Low | 130 Ų | 130 | 114 Ų | 114 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -112.9 | 126.2 | -179.6 | -75.8 | 166.9 | 0 | 0 | 0 | 110.5 | ||
| 55 | P | 57.1 | Low | 58.9 | Low | 110 Ų | 110 | 115 Ų | 115 | 71% | 0.714 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 141.4 | 173.7 | 27.5 | -33.2 | 0 | 0 | 0 | 110.1 | ||
| 56 | P | 54 | Low | 57.7 | Low | 117 Ų | 117 | 120 Ų | 120 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -64 | 135.9 | 176.9 | 27 | -33.7 | 0 | 0 | 0 | 109.9 | ||
| 57 | P | 54.6 | Low | 56.1 | Low | 113 Ų | 113 | 121.7 Ų | 121.7 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 143.4 | 179.6 | 26.7 | -34 | 0 | 0 | 0 | 110.4 | C59 | P57-C59 PolarHBondContact O-N 2.95Š|
| 58 | P | 50.9 | Low | 55.1 | Low | 122 Ų | 122 | 119.6 Ų | 119.6 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 134.8 | 175.7 | -24.9 | 34 | 0 | 0 | 0 | 111.6 | G60 | P58-G60 PolarHBondContact O-N 3.2Š|
| 59 | C | 54 | Low | 54.2 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 89% | 0.885 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -72.3 | 69.9 | 169 | -90.1 | 0 | 0 | 0 | 0 | 110.6 | P57 | P57-C59 PolarHBondContact O-N 2.95Š|
| 60 | G | 48.5 | Very low | 53.4 | Low | 49 Ų | 49 | 123.9 Ų | 123.9 | 51% | 0.505 | 74% | 0.736 | S | S | . | * | S | Bend | trans | -116.6 | 155.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P58 V62 | P58-G60 PolarHBondContact O-N 3.2Å; G60-V62 PolarHBondContact O-N 2.69Å |
| 61 | K | 53.7 | Low | 52.1 | Low | 215 Ų | 215 | 125.1 Ų | 125.1 | 94% | 0.935 | 74% | 0.743 | S | S | * | * | trans | -54.3 | 111.8 | -178.8 | -64 | 172.9 | -177.6 | 174.3 | 0 | 109.9 | D63 | K61-D63 PolarHBondContact O-N 2.68Å; K61-D63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | V | 41.1 | Very low | 51.3 | Low | 128 Ų | 128 | 127 Ų | 127 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -73.2 | 103.4 | 172.1 | 177.9 | 0 | 0 | 0 | 0 | 107.2 | G60 T64 | G60-V62 PolarHBondContact O-N 2.69Å; V62-T64 PolarHBondContact O-N 2.96Å | ||
| 63 | D | 48.1 | Very low | 50.9 | Low | 123 Ų | 123 | 126.6 Ų | 126.6 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | trans | -67 | 116.9 | 172.7 | -159.5 | -8.7 | 0 | 0 | 0 | 108.1 | K61 K65 | K61-D63 PolarHBondContact O-N 2.68Å; K61-D63 VanDerWaalsContact O-N 3.11Å; D63-K65 PolarHBondContact O-N 3.33Å | ||
| 64 | T | 47.2 | Very low | 50.4 | Low | 138 Ų | 138 | 129.6 Ų | 129.6 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | -82.7 | 53.1 | -177.1 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | V62 | V62-T64 PolarHBondContact O-N 2.96Š| ||
| 65 | K | 57.2 | Low | 49.9 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 61% | 0.609 | 76% | 0.762 | S | S | * | * | trans | -98.8 | 142.3 | 167.3 | -82.4 | -172.4 | 169.9 | -175.9 | 0 | 111 | D63 C67 | D63-K65 PolarHBondContact O-N 3.33Å; K65-C67 PolarHBondContact O-N 2.81Å | ||
| 66 | E | 50.4 | Low | 49.1 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | 32.1 | 62.8 | 169.8 | 60.3 | -105.7 | 160.5 | 0 | 0 | 120.2 | G68 | E66-G68 PolarHBondContact O-N 3.39Š| ||
| 67 | C | 47.7 | Very low | 48.7 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -76.6 | 66.7 | 147.6 | -78.6 | 0 | 0 | 0 | 0 | 110.8 | K65 V69 | K65-C67 PolarHBondContact O-N 2.81Å; C67-V69 PolarHBondContact O-N 3.09Å | ||
| 68 | G | 51.5 | Low | 48.3 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -74.1 | 98.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | E66 Q70 | E66-G68 PolarHBondContact O-N 3.39Å; G68-Q70 PolarHBondContact O-N 3.21Å | ||
| 69 | V | 52.1 | Low | 48 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 95.8 | 174.7 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | C67 V71 | C67-V69 PolarHBondContact O-N 3.09Å; V69-V71 HydrophobicContact CG1-CG1 4.08Å; V69-V71 PolarHBondContact O-N 2.73Å | ||
| 70 | Q | 50.5 | Low | 47.5 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -68.5 | 91.4 | 173.7 | -175.1 | 178.5 | -10 | 0 | 0 | 110.3 | G68 | G68-Q70 PolarHBondContact O-N 3.21Š| ||
| 71 | V | 45.1 | Very low | 47.7 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -79.7 | 120.5 | 169.4 | -68.9 | 0 | 0 | 0 | 0 | 110 | V69 A73 | V69-V71 HydrophobicContact CG1-CG1 4.08Å; V69-V71 PolarHBondContact O-N 2.73Å; V71-A73 PolarHBondContact O-N 3.31Å | ||
| 72 | N | 43.3 | Very low | 47.5 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | trans | -62.9 | 116.5 | 166 | -112 | -54.3 | 0 | 0 | 0 | 108.1 | K74 | N72-K74 PolarHBondContact O-N 3.35Š| ||
| 73 | A | 51.8 | Low | 48.1 | Very low | 102 Ų | 102 | 138 Ų | 138 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -73.5 | 69.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V71 | V71-A73 PolarHBondContact O-N 3.31Š| ||
| 74 | K | 45.1 | Very low | 48.1 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | -102.9 | 99.7 | 167.8 | -70.1 | -171 | 176.9 | -175.8 | 0 | 108.7 | N72 | N72-K74 PolarHBondContact O-N 3.35Š| ||
| 75 | V | 43.5 | Very low | 48 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 29.1 | 120.4 | 153.9 | -177 | 0 | 0 | 0 | 0 | 117.4 | ||
| 76 | D | 40.5 | Very low | 47.5 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 67.9 | 45.8 | 157.9 | -57.1 | -16.3 | 0 | 0 | 0 | 119.7 | ||
| 77 | K | 45.7 | Very low | 47.2 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -130.9 | 103.5 | 151 | -75 | -170.8 | 176.7 | 177.1 | 0 | 112.6 | V79 | K77-V79 PolarHBondContact O-N 2.76Š| ||
| 78 | V | 46.3 | Very low | 46.8 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 92% | 0.915 | 78% | 0.775 | S | S | * | * | trans | -72.5 | 115.6 | 169.8 | -82.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 79 | V | 44.1 | Very low | 46.1 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -99.2 | 107 | 172.7 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | K77 C81 | K77-V79 PolarHBondContact O-N 2.76Å; V79-C81 PolarHBondContact O-N 2.83Å | ||
| 80 | Q | 44.3 | Very low | 45.2 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -84.4 | 108.1 | -175 | -175.1 | 175.3 | -29 | 0 | 0 | 111.4 | ||||
| 81 | C | 51.6 | Low | 44.5 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 56% | 0.561 | 77% | 0.771 | S | S | * | * | trans | -67.2 | 134.1 | 169.6 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | V79 L83 G84 | V79-C81 PolarHBondContact O-N 2.83Å; C81-L83 PolarHBondContact O-N 2.8Å; C81-L83 VanDerWaalsContact O-N 3.16Å; C81-G84 PolarHBondContact O-N 2.83Å | ||
| 82 | S | 51 | Low | 43.9 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -4.8 | -178.4 | 55 | 0 | 0 | 0 | 0 | 114.8 | ||
| 83 | L | 52.9 | Low | 43.4 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 71% | 0.707 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -1 | -178.7 | -59.2 | 178 | 0 | 0 | 0 | 114 | C81 | C81-L83 PolarHBondContact O-N 2.8Å; C81-L83 VanDerWaalsContact O-N 3.16Å |
| 84 | G | 49 | Very low | 42.7 | Very low | 42 Ų | 42 | 142.7 Ų | 142.7 | 43% | 0.433 | 77% | 0.768 | S | S | . | * | trans | 73.2 | 175 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C81 K86 | C81-G84 PolarHBondContact O-N 2.83Å; G84-K86 PolarHBondContact O-N 2.84Å | ||
| 85 | P | 43.6 | Very low | 42.1 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | trans | -72 | 110.9 | 179.7 | 28.9 | -33 | 0 | 0 | 0 | 110.5 | ||||
| 86 | K | 47 | Very low | 41.6 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -107.3 | 111.4 | 165.1 | -80.7 | -176 | 174.4 | 179.1 | 0 | 109.3 | G84 L88 | G84-K86 PolarHBondContact O-N 2.84Å; K86-L88 PolarHBondContact O-N 2.85Å | ||
| 87 | T | 43.7 | Very low | 40.8 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -68.8 | 112.4 | 166.6 | -19.5 | 0 | 0 | 0 | 0 | 108 | L89 | T87-L89 PolarHBondContact O-N 3Š| ||
| 88 | L | 40.2 | Very low | 40 | Very low | 161 Ų | 161 | 133 Ų | 133 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 120.7 | 169 | -66.7 | 177 | 0 | 0 | 0 | 107.8 | K86 Y90 | K86-L88 PolarHBondContact O-N 2.85Å; L88-Y90 PolarHBondContact O-N 3.08Å |
| 89 | L | 36.3 | Very low | 39.1 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 117.5 | 171.6 | -68.4 | 174.5 | 0 | 0 | 0 | 108.3 | T87 | T87-L89 PolarHBondContact O-N 3Š|
| 90 | Y | 33.7 | Very low | 38.2 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 71% | 0.71 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 117.6 | 172.9 | -176.9 | -114.2 | 0 | 0 | 0 | 108.7 | L88 E92 | L88-Y90 PolarHBondContact O-N 3.08Å; Y90-E92 HydrophobicContact CD1-CB 4.17Å; Y90-E92 HydrophobicContact CE1-CB 3.61Å; Y90-E92 HydrophobicContact CE1-CG 3.76Å; Y90-E92 PolarHBondContact OH-OE1 2.91Å |
| 91 | V | 35.1 | Very low | 37.4 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | trans | -103.6 | 110.6 | 168.4 | 175.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 92 | E | 33.3 | Very low | 36.3 | Very low | 135 Ų | 135 | 132 Ų | 132 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | trans | -89.4 | 115.3 | 177.4 | -158.6 | 164.5 | -160.9 | 0 | 0 | 109.3 | Y90 | Y90-E92 HydrophobicContact CD1-CB 4.17Å; Y90-E92 HydrophobicContact CE1-CB 3.61Å; Y90-E92 HydrophobicContact CE1-CG 3.76Å; Y90-E92 PolarHBondContact OH-OE1 2.91Å | ||
| 93 | H | 31.6 | Very low | 35.3 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | trans | -126.5 | 97.7 | 169 | -82.9 | -9.1 | 0 | 0 | 0 | 108.8 | ||||
| 94 | P | 37.3 | Very low | 34 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -76.4 | 136 | 160.7 | 30.9 | -29.8 | 0 | 0 | 0 | 109.3 | ||||
| 95 | A | 33.4 | Very low | 33 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -104 | 152.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 96 | S | 32.1 | Very low | 32.3 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | 71.9 | 137.7 | 176.2 | 75.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 97 | C | 25.6 | Very low | 31.6 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | cis | -168.9 | 155.5 | -9.2 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 98 | N | 28.3 | Very low | 30.9 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 73.5 | 123.5 | 149.9 | -57 | -14.7 | 0 | 0 | 0 | 121.6 | ||||
| 99 | N | 26.8 | Very low | 30.5 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | 63.5 | 134.1 | 159.9 | -56 | 0.1 | 0 | 0 | 0 | 116 | ||||
| 100 | C | 25.9 | Very low | 30.2 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 69% | 0.689 | 73% | 0.734 | S | S | * | * | cis | -155.8 | -173.4 | -7.3 | 58.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 101 | E | 26.7 | Very low | 30 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | cis | -147.3 | -157.5 | 10.9 | -155.7 | 62.9 | -85.6 | 0 | 0 | 109.5 | ||||
| 102 | T | 29 | Very low | 29.7 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | trans | -129.1 | 169.4 | 175.8 | -46.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 103 | H | 29.2 | Very low | 29.7 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 92.7 | 138.7 | 174 | -69.3 | -77.4 | 0 | 0 | 0 | 116.2 | ||||
| 104 | D | 26.1 | Very low | 29.6 | Very low | 118 Ų | 118 | 130 Ų | 130 | 63% | 0.631 | 76% | 0.756 | S | S | * | * | cis | -157.2 | -172.4 | -4.4 | -146 | -128.1 | 0 | 0 | 0 | 112.5 | ||||
| 105 | E | 29.3 | Very low | 29.4 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | trans | -8.7 | 163 | 153.8 | -80.1 | -163.5 | 42 | 0 | 0 | 121.3 | ||||
| 106 | S | 28.1 | Very low | 29.2 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | cis | 179.8 | -173.7 | -8.9 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 107 | L | 32.4 | Very low | 29.7 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | 86.5 | 163.6 | 160.4 | -57.2 | 177.5 | 0 | 0 | 0 | 120.1 | ||||
| 108 | D | 29.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -130 | -170 | -141.2 | 174.2 | 32.7 | 0 | 0 | 0 | 111 | ||||
| 109 | V | 31.3 | Very low | 30.3 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | trans | 111 | 89.2 | 152.5 | -176.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 110 | T | 30.3 | Very low | 31.2 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | 72.8 | 118 | 134.7 | 64.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 111 | K | 29.7 | Very low | 32 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | 62.1 | 111.2 | 116.3 | -161.7 | -175.9 | -174.3 | -176.6 | 0 | 121 | |||||
| 112 | A | 29.3 | Very low | 32.7 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -155.5 | 150.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 113 | E | 31.3 | Very low | 33.2 | Very low | 179 Ų | 179 | 138 Ų | 138 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -97 | 151.4 | -175.4 | -60.4 | 162.8 | 168.3 | 0 | 0 | 111.4 | ||||
| 114 | G | 29.5 | Very low | 33.7 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | 163.5 | 95 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 115 | K | 33 | Very low | 34.9 | Very low | 204 Ų | 204 | 136.7 Ų | 136.7 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 29.2 | 104.9 | 151.9 | -67.1 | -175.3 | 174.9 | -176.8 | 0 | 119.2 | L117 | K115-L117 PolarHBondContact O-N 3Š| ||
| 116 | A | 30.4 | Very low | 35.7 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -74.4 | 110.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 117 | L | 41.6 | Very low | 37 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -124.8 | 86 | 158.9 | -93 | 168 | 0 | 0 | 0 | 107.7 | K115 A119 | K115-L117 PolarHBondContact O-N 3Å; L117-A119 PolarHBondContact O-N 3.25Å; L117-A119 VanDerWaalsContact O-N 3.08Å | ||
| 118 | L | 35.3 | Very low | 37.3 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 99 | 173.6 | -78.5 | 173.5 | 0 | 0 | 0 | 109.4 | ||||
| 119 | A | 31.8 | Very low | 38.3 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L117 | L117-A119 PolarHBondContact O-N 3.25Å; L117-A119 VanDerWaalsContact O-N 3.08Å |
| 120 | T | 44.9 | Very low | 39.2 | Very low | 139 Ų | 139 | 150 Ų | 150 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 136.4 | 168.9 | -12.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 121 | P | 44.1 | Very low | 40 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 165.7 | 154.5 | 14 | 5.1 | 0 | 0 | 0 | 111.7 | ||
| 122 | P | 40.5 | Very low | 40.9 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -101 | 169.5 | -143.2 | 37.5 | -37.7 | 0 | 0 | 0 | 117.7 | ||
| 123 | M | 40.9 | Very low | 41.8 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -41.4 | 133.1 | -179.2 | -51.7 | 171.4 | -168.3 | 0 | 0 | 116.5 | ||||
| 124 | S | 39.1 | Very low | 42.8 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -98.7 | 123.2 | 154.1 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | L126 | S124-L126 PolarHBondContact O-N 3.21Š| ||
| 125 | N | 50.5 | Low | 43.3 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -86.5 | 62.8 | -165.8 | -73.3 | -59.1 | 0 | 0 | 0 | 113.9 | ||||
| 126 | L | 46 | Very low | 43.5 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 71% | 0.707 | 79% | 0.793 | S | S | * | * | trans | -113 | 91.6 | 171.4 | -72.7 | 171.6 | 0 | 0 | 0 | 111.2 | S124 F128 | S124-L126 PolarHBondContact O-N 3.21Å; L126-F128 VanDerWaalsContact C-N 3.34Å; L126-F128 HydrophobicContact CB-CE2 4.18Å; L126-F128 PolarHBondContact O-N 3.21Å | ||
| 127 | R | 55.4 | Low | 44.1 | Very low | 242 Ų | 242 | 147.3 Ų | 147.3 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -70.9 | 88.1 | 170.2 | -64.4 | -176.3 | -172.9 | -178.6 | 3.3 | 109.6 | L129 | R127-L129 PolarHBondContact O-N 3.04Š| ||
| 128 | F | 39.3 | Very low | 44.3 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | -62.1 | 105.6 | 164.6 | -71.1 | -80.5 | 0 | 0 | 0 | 109.2 | L126 R130 | L126-F128 VanDerWaalsContact C-N 3.34Å; L126-F128 HydrophobicContact CB-CE2 4.18Å; L126-F128 PolarHBondContact O-N 3.21Å; F128-R130 PolarHBondContact O-N 3.33Å | ||
| 129 | L | 49.9 | Very low | 44.4 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -60.3 | 118.7 | 169.1 | -69.4 | 171 | 0 | 0 | 0 | 107.9 | R127 | R127-L129 PolarHBondContact O-N 3.04Š| ||
| 130 | R | 49.7 | Very low | 44.8 | Very low | 230 Ų | 230 | 148.8 Ų | 148.8 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -59.4 | 136.1 | 175.6 | -74.6 | -172.5 | 176 | 165.6 | 0.1 | 109.3 | F128 V132 | F128-R130 PolarHBondContact O-N 3.33Å; R130-V132 PolarHBondContact O-N 3.05Å | ||
| 131 | P | 47.8 | Very low | 44.9 | Very low | 133 Ų | 133 | 153.5 Ų | 153.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -58.6 | 115.1 | 174.3 | -23.9 | 33.8 | 0 | 0 | 0 | 110.6 | S133 | P131-S133 PolarHBondContact O-N 3.47Š| ||
| 132 | V | 49.3 | Very low | 45.1 | Very low | 129 Ų | 129 | 158.5 Ų | 158.5 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | -69.9 | 125.3 | 167.7 | 177.6 | 0 | 0 | 0 | 0 | 107.1 | R130 I134 | R130-V132 PolarHBondContact O-N 3.05Å; V132-I134 PolarHBondContact O-N 3.42Å | ||
| 133 | S | 47.9 | Very low | 44.9 | Very low | 76 Ų | 76 | 158.6 Ų | 158.6 | 53% | 0.531 | 79% | 0.788 | S | S | . | * | trans | -63.4 | 122.5 | 177 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | P131 Y135 | P131-S133 PolarHBondContact O-N 3.47Å; S133-Y135 PolarHBondContact O-N 3.46Å | ||
| 134 | I | 52.8 | Low | 44.6 | Very low | 162 Ų | 162 | 159 Ų | 159 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -60.5 | -17.2 | -176.8 | -66.2 | 173.4 | 0 | 0 | 0 | 112.7 | V132 | V132-I134 PolarHBondContact O-N 3.42Š|
| 135 | Y | 38.8 | Very low | 44.4 | Very low | 216 Ų | 216 | 162.3 Ų | 162.3 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -110.5 | 75.9 | 174 | -74.7 | -89.8 | 0 | 0 | 0 | 112.4 | S133 | S133-Y135 PolarHBondContact O-N 3.46Š| ||
| 136 | S | 38.6 | Very low | 43.6 | Very low | 74 Ų | 74 | 164.4 Ų | 164.4 | 52% | 0.517 | 80% | 0.795 | S | S | . | * | trans | -114.3 | 132.6 | 147.8 | -82 | 0 | 0 | 0 | 0 | 108.3 | V138 | S136-V138 VanDerWaalsContact C-N 3.26Å; S136-V138 PolarHBondContact O-N 3.25Å | ||
| 137 | P | 43 | Very low | 42.8 | Very low | 121 Ų | 121 | 162.4 Ų | 162.4 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -76.3 | 79.2 | -179 | 31.8 | -34.3 | 0 | 0 | 0 | 110.1 | F139 | P137-F139 PolarHBondContact O-N 3.03Š| ||
| 138 | V | 44.3 | Very low | 41.9 | Very low | 128 Ų | 128 | 159.1 Ų | 159.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -76.9 | 110.1 | 167.8 | -161.2 | 0 | 0 | 0 | 0 | 106.9 | S136 D140 | S136-V138 VanDerWaalsContact C-N 3.26Å; S136-V138 PolarHBondContact O-N 3.25Å; V138-D140 PolarHBondContact O-N 2.85Å; V138-D140 VanDerWaalsContact O-N 3.15Å | ||
| 139 | F | 38.7 | Very low | 41.4 | Very low | 191 Ų | 191 | 155.1 Ų | 155.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -64.5 | 115.4 | 170.4 | -80.2 | -89.5 | 0 | 0 | 0 | 108.6 | P137 R141 | P137-F139 PolarHBondContact O-N 3.03Å; F139-R141 PolarHBondContact O-N 3.24Å | ||
| 140 | D | 39.1 | Very low | 40.5 | Very low | 138 Ų | 138 | 155 Ų | 155 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -61.9 | 132.3 | 174.7 | -167.5 | -0.9 | 0 | 0 | 0 | 109.6 | V138 R142 | V138-D140 PolarHBondContact O-N 2.85Å; V138-D140 VanDerWaalsContact O-N 3.15Å; D140-R142 PolarHBondContact OD1-N 3.07Å | ||
| 141 | R | 47.5 | Very low | 39.5 | Very low | 239 Ų | 239 | 147.9 Ų | 147.9 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -127.5 | 43.5 | -170 | -146.4 | 180 | -165.2 | -169 | 3.4 | 110.7 | F139 | F139-R141 PolarHBondContact O-N 3.24Š| ||
| 142 | R | 48 | Very low | 38.6 | Very low | 218 Ų | 218 | 146.6 Ų | 146.6 | 82% | 0.823 | 79% | 0.785 | S | S | * | * | trans | -132.8 | 57.8 | -176.4 | -80.5 | -164.3 | -83.8 | -156.7 | -7.5 | 116.3 | D140 | D140-R142 PolarHBondContact OD1-N 3.07Š| ||
| 143 | V | 36.5 | Very low | 37.6 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | -157.6 | 135.3 | 142.5 | -121.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 144 | F | 34.9 | Very low | 36.8 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | cis | -131 | 148.5 | 6 | -95.5 | -106.2 | 0 | 0 | 0 | 109.6 | ||||
| 145 | L | 33.6 | Very low | 35.6 | Very low | 180 Ų | 180 | 149 Ų | 149 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | -149.5 | 116.8 | 130 | -140.9 | 82.5 | 0 | 0 | 0 | 108.1 | |||||
| 146 | K | 33.7 | Very low | 35.7 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | -96.2 | 135.1 | 174.2 | -168 | 168.6 | -179 | 177.2 | 0 | 107.6 | ||||
| 147 | S | 30.6 | Very low | 35.2 | Very low | 94 Ų | 94 | 146.7 Ų | 146.7 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | -40.1 | 135.5 | -174.9 | -174.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 148 | L | 34.9 | Very low | 34.5 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | -129.1 | 135.4 | 126.8 | -81.8 | 174.5 | 0 | 0 | 0 | 108.4 | |||||
| 149 | C | 30.6 | Very low | 33.7 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 66% | 0.662 | 81% | 0.811 | S | S | * | * | trans | -71.9 | 145 | 161.1 | -66.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 150 | D | 31 | Very low | 33.2 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | -175.6 | 152.2 | 101.2 | -85.5 | -26.7 | 0 | 0 | 0 | 109.9 | |||||
| 151 | G | 28.3 | Very low | 32.7 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -111.2 | 134.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 152 | A | 28.9 | Very low | 31.9 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -157.5 | 148.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 153 | G | 27.5 | Very low | 31 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -107.2 | -162.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 154 | Q | 30.8 | Very low | 30.8 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | 85.1 | 113.8 | 173.6 | -55.5 | 178.2 | 23 | 0 | 0 | 116.5 | ||||
| 155 | D | 28.1 | Very low | 30.5 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -59.6 | 158.2 | 147.6 | -45.9 | -88.3 | 0 | 0 | 0 | 109.5 | ||||
| 156 | P | 40.4 | Very low | 30.3 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | -150.9 | 154.2 | 82.9 | 42.1 | -24.7 | 0 | 0 | 0 | 117.2 | |||||
| 157 | V | 28.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 34.3 | 137.6 | 143.6 | -48.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 158 | E | 27.8 | Very low | 30.2 | Very low | 183 Ų | 183 | 130.5 Ų | 130.5 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | 42.3 | 120.7 | 134.4 | -66.2 | -75.3 | 140.7 | 0 | 0 | 121.2 | ||||
| 159 | A | 27.8 | Very low | 30.1 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | -178.5 | 154.8 | 110.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 160 | S | 29.3 | Very low | 29.9 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | -78.2 | 152.6 | 172.3 | 172.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 161 | D | 28.1 | Very low | 30 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | 176.9 | -174.7 | 119.2 | -87.6 | -4.2 | 0 | 0 | 0 | 113.8 | |||||
| 162 | Q | 29.9 | Very low | 30.1 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | -140.2 | 143.3 | -126.6 | 171.1 | 168.7 | 24.2 | 0 | 0 | 116 | |||||
| 163 | A | 30.8 | Very low | 30 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | 80.6 | 145.4 | 148 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 164 | K | 32.1 | Very low | 30.1 | Very low | 202 Ų | 202 | 135.5 Ų | 135.5 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | trans | 67.7 | 150.8 | 159.4 | -68.5 | 167.1 | -179.1 | -176.2 | 0 | 116.4 | ||||
| 165 | S | 28.4 | Very low | 30.1 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | cis | -169.5 | 179.6 | -18.8 | 56.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 166 | D | 29.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | cis | -156.4 | -153.4 | 6.5 | -141.3 | -58.5 | 0 | 0 | 0 | 111.3 | ||||
| 167 | A | 32.4 | Very low | 30 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | trans | -59.7 | 173.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 168 | D | 29 | Very low | 30.2 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -167.2 | 177 | 4.4 | -134.9 | -26.1 | 0 | 0 | 0 | 112 | ||||
| 169 | T | 32.2 | Very low | 30.5 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | 106.1 | 133 | 155.5 | -39.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 170 | D | 27.6 | Very low | 30.8 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -89.6 | 151.2 | -177 | -56.1 | -79.6 | 0 | 0 | 0 | 117.3 | ||||
| 171 | H | 32.6 | Very low | 31.2 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | 173.9 | 127.9 | 125.8 | -99.8 | 51.4 | 0 | 0 | 0 | 109.7 | |||||
| 172 | S | 30.7 | Very low | 31.3 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 79.4 | 116.1 | 73.8 | -165.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 173 | G | 27 | Very low | 31.5 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | 80.6 | 150.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 174 | D | 28.8 | Very low | 32.2 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | cis | -150.1 | 172.6 | 1.7 | -78.2 | -40.1 | 0 | 0 | 0 | 111.9 | ||||
| 175 | N | 30.4 | Very low | 32.6 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -77.6 | 128.2 | 177.6 | -179 | -43.1 | 0 | 0 | 0 | 112 | ||||
| 176 | L | 34 | Very low | 33.7 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -151 | 155.3 | 144 | -148.7 | 61.7 | 0 | 0 | 0 | 113.6 | ||||
| 177 | E | 33.1 | Very low | 34.4 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 71% | 0.71 | 78% | 0.78 | S | S | * | * | trans | -66.8 | 148 | -169.5 | 67.4 | -151.5 | -125 | 0 | 0 | 116.8 | ||||
| 178 | N | 32 | Very low | 35 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -168.9 | 113.5 | 140.4 | -93.2 | -49.1 | 0 | 0 | 0 | 106 | ||||
| 179 | G | 34 | Very low | 35.9 | Very low | 69 Ų | 69 | 142.4 Ų | 142.4 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 127.8 | -8.7 | 34.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K181 | G179-K181 PolarHBondContact O-N 3.25Å; G179-K181 VanDerWaalsContact O-N 3.15Å | ||
| 180 | V | 35.9 | Very low | 36.9 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -84.1 | 90.1 | -178.3 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | T182 | V180-T182 VanDerWaalsContact C-N 3.27Å; V180-T182 PolarHBondContact O-N 3.44Å | ||
| 181 | K | 36.9 | Very low | 38.1 | Very low | 204 Ų | 204 | 136.8 Ų | 136.8 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | -71.4 | 79 | 165.8 | -75 | 177 | 178.4 | 168.8 | 0 | 110.6 | G179 T183 | G179-K181 PolarHBondContact O-N 3.25Å; G179-K181 VanDerWaalsContact O-N 3.15Å; K181-T183 PolarHBondContact O-N 3.38Å | ||
| 182 | T | 30.7 | Very low | 39.2 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -70.4 | 101.5 | 163.6 | -59.6 | 0 | 0 | 0 | 0 | 108.5 | V180 I184 | V180-T182 VanDerWaalsContact C-N 3.27Å; V180-T182 PolarHBondContact O-N 3.44Å; T182-I184 PolarHBondContact O-N 3.3Å | ||
| 183 | T | 33.6 | Very low | 40.5 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -58 | 102.8 | 176.4 | -7.6 | 0 | 0 | 0 | 0 | 109.7 | K181 P185 | K181-T183 PolarHBondContact O-N 3.38Å; T183-P185 WeakPolarHBondContact O-CD 3.12Å | ||
| 184 | I | 46.5 | Very low | 42.6 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | -65.4 | 115.1 | 168.9 | -57.8 | 172.4 | 0 | 0 | 0 | 106.4 | T182 R186 | T182-I184 PolarHBondContact O-N 3.3Å; I184-R186 PolarHBondContact O-N 2.7Å; I184-R186 VanDerWaalsContact O-N 3.09Å | ||
| 185 | P | 39.8 | Very low | 44.9 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | -63 | 119.4 | 169.7 | 26.9 | -31.5 | 0 | 0 | 0 | 106.8 | T183 S187 | T183-P185 WeakPolarHBondContact O-CD 3.12Å; P185-S187 VanDerWaalsContact C-N 3.25Å; P185-S187 PolarHBondContact O-N 3.09Å | ||
| 186 | R | 50.9 | Low | 47.6 | Very low | 248 Ų | 248 | 126.2 Ų | 126.2 | 94% | 0.936 | 68% | 0.68 | S | S | * | * | trans | -59.4 | 92 | 171.5 | -84.7 | 178.6 | 168.1 | 158.1 | -3.9 | 108 | I184 S188 | I184-R186 PolarHBondContact O-N 2.7Å; I184-R186 VanDerWaalsContact O-N 3.09Å; R186-S188 PolarHBondContact O-N 2.76Å | ||
| 187 | S | 43.5 | Very low | 50.1 | Low | 104 Ų | 104 | 121.7 Ų | 121.7 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | trans | -61.3 | 136.7 | 168.3 | 55.9 | 0 | 0 | 0 | 0 | 107.9 | P185 | P185-S187 VanDerWaalsContact C-N 3.25Å; P185-S187 PolarHBondContact O-N 3.09Å | ||
| 188 | S | 45.2 | Very low | 52.6 | Low | 103 Ų | 103 | 117.1 Ų | 117.1 | 72% | 0.72 | 63% | 0.633 | S | S | * | * | trans | -38.3 | 146.3 | 171.2 | 43.4 | 0 | 0 | 0 | 0 | 112.1 | R186 S190 | R186-S188 PolarHBondContact O-N 2.76Å; S188-S190 PolarHBondContact O-N 3.14Å | ||
| 189 | K | 49.1 | Very low | 55.4 | Low | 215 Ų | 215 | 111.1 Ų | 111.1 | 94% | 0.935 | 60% | 0.598 | S | S | * | * | trans | -62.4 | 78.3 | 173.2 | -65.8 | 177.7 | -178.8 | 176.1 | 0 | 110.2 | ||||
| 190 | S | 52.4 | Low | 58.1 | Low | 77 Ų | 77 | 108.2 Ų | 108.2 | 54% | 0.538 | 57% | 0.566 | S | S | . | * | trans | -58.8 | 144.5 | 160.2 | 54 | 0 | 0 | 0 | 0 | 107.7 | S188 N192 | S188-S190 PolarHBondContact O-N 3.14Å; S190-N192 PolarHBondContact O-N 3.36Å | ||
| 191 | P | 53.6 | Low | 60.8 | Low | 81 Ų | 81 | 102.1 Ų | 102.1 | 53% | 0.526 | 53% | 0.529 | S | S | . | . | trans | -56.7 | 134.3 | 168.9 | -18.3 | 30.3 | 0 | 0 | 0 | 107.9 | F193 | P191-F193 HydrophobicContact CB-CD1 4.39Å; P191-F193 HydrophobicContact CB-CD2 3.96Å; P191-F193 HydrophobicContact CB-CE1 4.01Å; P191-F193 HydrophobicContact CB-CE2 3.57Å; P191-F193 HydrophobicContact CB-CG 4.37Å; P191-F193 HydrophobicContact CB-CZ 3.59Å; P191-F193 HydrophobicContact CG-CD2 4.39Å; P191-F193 HydrophobicContact CG-CE2 3.59Å; P191-F193 HydrophobicContact CG-CZ 3.68Å; P191-F193 VanDerWaalsContact O-CD2 3.28Å; P191-F193 WeakPolarHBondContact O-CD2 3.48Å; P191-F193 PolarHBondContact O-N 3.29Å | ||
| 192 | N | 55.9 | Low | 63.4 | Low | 149 Ų | 149 | 93.2 Ų | 93.2 | 80% | 0.797 | 49% | 0.49 | S | S | * | . | trans | -71.9 | 70.2 | 179.3 | -80.8 | -57.3 | 0 | 0 | 0 | 110.3 | S190 Q194 | S190-N192 PolarHBondContact O-N 3.36Å; N192-Q194 PolarHBondContact O-N 2.88Å | ||
| 193 | F | 57.5 | Low | 66.5 | Low | 107 Ų | 107 | 87.8 Ų | 87.8 | 47% | 0.469 | 46% | 0.457 | S | S | . | . | trans | -67.1 | 91.4 | 178.3 | -66.6 | -63.7 | 0 | 0 | 0 | 109.7 | P191 F195 | P191-F193 HydrophobicContact CB-CD1 4.39Å; P191-F193 HydrophobicContact CB-CD2 3.96Å; P191-F193 HydrophobicContact CB-CE1 4.01Å; P191-F193 HydrophobicContact CB-CE2 3.57Å; P191-F193 HydrophobicContact CB-CG 4.37Å; P191-F193 HydrophobicContact CB-CZ 3.59Å; P191-F193 HydrophobicContact CG-CD2 4.39Å; P191-F193 HydrophobicContact CG-CE2 3.59Å; P191-F193 HydrophobicContact CG-CZ 3.68Å; P191-F193 VanDerWaalsContact O-CD2 3.28Å; P191-F193 WeakPolarHBondContact O-CD2 3.48Å; P191-F193 PolarHBondContact O-N 3.29Å; F193-F195 VanDerWaalsContact C-N 3.28Å; F193-F195 HydrophobicContact CB-CD2 4.41Å; F193-F195 HydrophobicContact CB-CE1 4.22Å; F193-F195 HydrophobicContact CB-CE2 3.82Å; F193-F195 HydrophobicContact CB-CZ 3.73Å; F193-F195 HydrophobicContact CG-CZ 4.43Å; F193-F195 WeakPolarHBondContact O-CD2 3.49Å; F193-F195 PolarHBondContact O-N 2.94Å | ||
| 194 | Q | 70.4 | Confident | 69.5 | Low | 88 Ų | 88 | 84 Ų | 84 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | trans | -73.8 | 85.4 | 171 | -71.9 | -172.7 | 15.7 | 0 | 0 | 109.6 | N192 I220 I296 | N192-Q194 PolarHBondContact O-N 2.88Å; Q194-I220 HydrophobicContact CB-CG2 4.12Å; Q194-I220 HydrophobicContact CG-CG2 4.3Å; Q194-I296 HydrophobicContact CB-CD1 3.99Å; Q194-I296 HydrophobicContact CG-CD1 4.08Å | ||
| 195 | F | 78.1 | Confident | 71.9 | Confident | 87 Ų | 87 | 77 Ų | 77 | 38% | 0.382 | 39% | 0.394 | S | S | . | . | trans | -59.7 | 147 | 174.3 | -62.1 | -71.1 | 0 | 0 | 0 | 111.4 | F193 S221 S292 F293 | F193-F195 VanDerWaalsContact C-N 3.28Å; F193-F195 HydrophobicContact CB-CD2 4.41Å; F193-F195 HydrophobicContact CB-CE1 4.22Å; F193-F195 HydrophobicContact CB-CE2 3.82Å; F193-F195 HydrophobicContact CB-CZ 3.73Å; F193-F195 HydrophobicContact CG-CZ 4.43Å; F193-F195 WeakPolarHBondContact O-CD2 3.49Å; F193-F195 PolarHBondContact O-N 2.94Å; F195-S221 WeakPolarHBondContact O-CB 3.36Å; F195-S221 PolarHBondContact O-N 2.73Å; F195-S292 WeakPolarHBondContact CA-O 3.24Å; F195-S292 WeakPolarHBondContact CD1-OG 3.24Å; F195-F293 HydrophobicContact CE1-CD1 4.16Å; F195-F293 AromaticContact CE1-CE1 3.83Å; F195-F293 HydrophobicContact CE1-CE1 3.83Å | ||
| 196 | L | 86.1 | Confident | 74.5 | Confident | 15 Ų | 15 | 80.2 Ų | 80.2 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129 | 171.3 | -66.5 | 175.7 | 0 | 0 | 0 | 110.9 | W218 C219 I220 Y227 T290 | L196-W218 HydrophobicContact CB-CE3 3.67Å; L196-W218 HydrophobicContact CB-CZ3 4.27Å; L196-C219 CarbonylContact C-O 3.56Å; L196-C219 WeakPolarHBondContact CA-O 3.28Å; L196-I220 HydrophobicContact CD2-CG1 4.31Å; L196-Y227 HydrophobicContact CD1-CD1 3.55Å; L196-Y227 HydrophobicContact CD1-CE1 4.04Å; L196-Y227 HydrophobicContact CD1-CG 3.91Å; L196-Y227 HydrophobicContact CD2-CD1 4.29Å; L196-Y227 HydrophobicContact CD2-CD2 4.09Å; L196-Y227 HydrophobicContact CD2-CG 3.76Å; L196-T290 HydrophobicContact CD1-CG2 3.91Å |
| 197 | E | 86.3 | Confident | 76.6 | Confident | 58 Ų | 58 | 76.4 Ų | 76.4 | 27% | 0.271 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.8 | 178.5 | -166.3 | -161.5 | 131.6 | 0 | 0 | 110 | R199 W218 C219 | E197-R199 VanDerWaalsContact CD-NE 3.29Å; E197-R199 WeakPolarHBondContact OE1-CG 3.36Å; E197-R199 IonicContact OE1-CZ 2.68Å; E197-R199 IonicContact OE1-NE 3.47Å; E197-R199 PolarHBondContact OE1-NE 3.36Å; E197-R199 IonicContact OE1-NH2 3.72Å; E197-R199 PolarHBondContact OE1-NH2 2.89Å; E197-R199 IonicContact OE2-CZ 3.24Å; E197-R199 IonicContact OE2-NE 3.44Å; E197-R199 PolarHBondContact OE2-NE 2.76Å; E197-R199 IonicContact OE2-NH2 3.52Å; E197-R199 PolarHBondContact OE2-NH2 2.79Å; E197-W218 CarbonylContact O-C 3.58Å; E197-W218 WeakPolarHBondContact O-CA 3.22Å; E197-C219 PolarHBondContact N-O 2.68Å; E197-C219 PolarHBondContact O-N 3.42Å |
| 198 | Q | 86.8 | Confident | 79.1 | Confident | 56 Ų | 56 | 73.1 Ų | 73.1 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.1 | 173.5 | -63.7 | -179.5 | 10 | 0 | 0 | 110.4 | Y216 W218 I247 | Q198-Y216 VanDerWaalsContact OE1-CD1 3.31Å; Q198-W218 HydrophobicContact CG-CD2 3.96Å; Q198-W218 HydrophobicContact CG-CE3 3.72Å; Q198-W218 HydrophobicContact CG-CH2 3.78Å; Q198-W218 HydrophobicContact CG-CZ2 3.92Å; Q198-W218 HydrophobicContact CG-CZ3 3.64Å; Q198-I247 HydrophobicContact CB-CD1 3.76Å; Q198-I247 WeakPolarHBondContact O-CD1 3.29Å |
| 199 | R | 89.6 | Confident | 81.6 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 154.7 | 176.2 | -68.7 | -167.1 | 179.2 | 178.4 | 5.3 | 112 | E197 V217 S223 V244 E245 | E197-R199 VanDerWaalsContact CD-NE 3.29Å; E197-R199 WeakPolarHBondContact OE1-CG 3.36Å; E197-R199 IonicContact OE1-CZ 2.68Å; E197-R199 IonicContact OE1-NE 3.47Å; E197-R199 PolarHBondContact OE1-NE 3.36Å; E197-R199 IonicContact OE1-NH2 3.72Å; E197-R199 PolarHBondContact OE1-NH2 2.89Å; E197-R199 IonicContact OE2-CZ 3.24Å; E197-R199 IonicContact OE2-NE 3.44Å; E197-R199 PolarHBondContact OE2-NE 2.76Å; E197-R199 IonicContact OE2-NH2 3.52Å; E197-R199 PolarHBondContact OE2-NH2 2.79Å; R199-V217 PolarHBondContact N-O 3.03Å; R199-V217 PolarHBondContact O-N 3.12Å; R199-S223 PolarHBondContact NH1-O 2.83Å; R199-V244 HydrophobicContact CB-CB 4.41Å; R199-E245 WeakPolarHBondContact CB-O 3.44Å |
| 200 | Y | 90.6 | Very high | 83.7 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 127.1 | 170.4 | -158.4 | -83.2 | 0 | 0 | 0 | 109 | F202 E213 A215 V244 E245 H265 | Y200-F202 HydrophobicContact CD1-CD2 4.32Å; Y200-F202 HydrophobicContact CD1-CE1 4.3Å; Y200-F202 AromaticContact CD1-CE2 3.66Å; Y200-F202 HydrophobicContact CD1-CE2 3.66Å; Y200-F202 AromaticContact CD1-CZ 3.66Å; Y200-F202 HydrophobicContact CD1-CZ 3.66Å; Y200-F202 AromaticContact CE1-CE1 3.95Å; Y200-F202 HydrophobicContact CE1-CE1 3.95Å; Y200-F202 HydrophobicContact CE1-CE2 4.16Å; Y200-F202 AromaticContact CE1-CZ 3.72Å; Y200-F202 HydrophobicContact CE1-CZ 3.72Å; Y200-E213 HydrophobicContact CE1-CB 3.87Å; Y200-E213 HydrophobicContact CE1-CG 4.2Å; Y200-E213 PolarHBondContact OH-OE2 3.45Å; Y200-A215 HydrophobicContact CD2-CB 3.71Å; Y200-A215 HydrophobicContact CE2-CB 3.76Å; Y200-V244 CarbonylContact O-C 3.45Å; Y200-V244 VanDerWaalsContact O-CA 3.23Å; Y200-V244 WeakPolarHBondContact O-CA 3.32Å; Y200-E245 PolarHBondContact N-O 3.47Å; Y200-E245 PolarHBondContact O-N 3.06Å; Y200-H265 HydrophobicContact CD2-CB 3.44Å; Y200-H265 VanDerWaalsContact CD2-CB 3.44Å; Y200-H265 HydrophobicContact CE2-CB 3.69Å; Y200-H265 HydrophobicContact CG-CB 4.06Å |
| 201 | G | 92.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E213 S214 | G201-E213 WeakPolarHBondContact O-CA 3.44Å; G201-S214 PolarHBondContact N-O 3.02Å; G201-S214 PolarHBondContact O-N 3.29Å |
| 202 | F | 93.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 66.7 Ų | 66.7 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.6 | 177.6 | -57 | -98.4 | 0 | 0 | 0 | 110 | Y200 E213 P241 Y242 R243 E245 | Y200-F202 HydrophobicContact CD1-CD2 4.32Å; Y200-F202 HydrophobicContact CD1-CE1 4.3Å; Y200-F202 AromaticContact CD1-CE2 3.66Å; Y200-F202 HydrophobicContact CD1-CE2 3.66Å; Y200-F202 AromaticContact CD1-CZ 3.66Å; Y200-F202 HydrophobicContact CD1-CZ 3.66Å; Y200-F202 AromaticContact CE1-CE1 3.95Å; Y200-F202 HydrophobicContact CE1-CE1 3.95Å; Y200-F202 HydrophobicContact CE1-CE2 4.16Å; Y200-F202 AromaticContact CE1-CZ 3.72Å; Y200-F202 HydrophobicContact CE1-CZ 3.72Å; F202-E213 HydrophobicContact CD1-CG 3.76Å; F202-E213 HydrophobicContact CE1-CG 4.07Å; F202-E213 WeakPolarHBondContact CE1-OE1 3.11Å; F202-P241 CarbonylContact O-C 3.53Å; F202-P241 WeakPolarHBondContact O-CA 3.34Å; F202-P241 WeakPolarHBondContact O-CB 3.48Å; F202-Y242 VanDerWaalsContact C-CE1 3.49Å; F202-Y242 HydrophobicContact CB-CD1 4.38Å; F202-Y242 HydrophobicContact CB-CE1 3.71Å; F202-Y242 HydrophobicContact CB-CE2 4.03Å; F202-Y242 WeakPolarHBondContact O-CD1 3.14Å; F202-Y242 WeakPolarHBondContact O-CE1 3.34Å; F202-Y242 PolarHBondContact O-N 3.48Å; F202-R243 HydrophobicContact CB-CB 4.33Å; F202-R243 HydrophobicContact CD2-CB 4.02Å; F202-R243 HydrophobicContact CD2-CG 4.34Å; F202-R243 HydrophobicContact CG-CB 4.5Å; F202-R243 PolarHBondContact N-O 3.04Å; F202-E245 HydrophobicContact CE2-CB 4.45Å; F202-E245 HydrophobicContact CE2-CG 4.01Å; F202-E245 WeakPolarHBondContact CE2-OE1 3.14Å; F202-E245 WeakPolarHBondContact CZ-OE1 3.22Å |
| 203 | F | 95.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.3 | -173.6 | -64 | -101.1 | 0 | 0 | 0 | 111.4 | R211 W212 V217 Q230 F239 P241 | F203-R211 VanDerWaalsContact O-CA 3.24Å; F203-R211 WeakPolarHBondContact O-CA 3.23Å; F203-W212 HydrophobicContact CB-CD2 3.5Å; F203-W212 VanDerWaalsContact CB-CD2 3.5Å; F203-W212 HydrophobicContact CB-CE3 3.85Å; F203-W212 HydrophobicContact CB-CG 4.04Å; F203-W212 HydrophobicContact CB-CH2 3.83Å; F203-W212 HydrophobicContact CB-CZ2 3.47Å; F203-W212 VanDerWaalsContact CB-CZ2 3.47Å; F203-W212 HydrophobicContact CB-CZ3 4Å; F203-W212 AromaticContact CD1-CZ2 3.83Å; F203-W212 HydrophobicContact CD1-CZ2 3.83Å; F203-W212 AromaticContact CD2-CD1 3.97Å; F203-W212 AromaticContact CD2-NE1 3.65Å; F203-W212 HydrophobicContact CG-CD2 4.27Å; F203-W212 AromaticContact CG-CE2 3.61Å; F203-W212 AromaticContact CG-CZ2 3.8Å; F203-W212 HydrophobicContact CG-CZ2 3.8Å; F203-W212 AromaticContact CG-NE1 3.53Å; F203-W212 PolarHBondContact N-O 2.8Å; F203-W212 PolarHBondContact O-N 3.43Å; F203-V217 HydrophobicContact CE2-CG2 3.65Å; F203-V217 HydrophobicContact CZ-CG2 3.63Å; F203-Q230 HydrophobicContact CD1-CB 4.21Å; F203-Q230 HydrophobicContact CE1-CB 3.69Å; F203-Q230 HydrophobicContact CE1-CG 3.89Å; F203-Q230 HydrophobicContact CE2-CG 4.35Å; F203-Q230 HydrophobicContact CZ-CB 3.96Å; F203-Q230 HydrophobicContact CZ-CG 3.65Å; F203-F239 HydrophobicContact CD1-CB 4.34Å; F203-F239 WeakPolarHBondContact CE1-O 3.44Å; F203-P241 HydrophobicContact CD1-CB 4.11Å; F203-P241 HydrophobicContact CD2-CB 4.18Å; F203-P241 HydrophobicContact CE1-CB 3.89Å; F203-P241 VanDerWaalsContact CE1-CD 3.48Å; F203-P241 HydrophobicContact CE1-CG 4.2Å; F203-P241 VanDerWaalsContact CE1-N 3.29Å; F203-P241 HydrophobicContact CE2-CB 3.94Å; F203-P241 HydrophobicContact CG-CB 4.25Å; F203-P241 HydrophobicContact CZ-CB 3.79Å; F203-P241 HydrophobicContact CZ-CG 4.05Å |
| 204 | H | 96.1 | Very high | 90.7 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 123.6 | 175.1 | 177 | -134.5 | 0 | 0 | 0 | 109.6 | N209 R211 Y242 | H204-N209 PolarHBondContact NE2-OD1 3.48Å; H204-R211 HydrophobicContact CB-CG 4.24Å; H204-Y242 HydrophobicContact CB-CD1 3.92Å; H204-Y242 HydrophobicContact CB-CE1 3.98Å |
| 205 | C | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -93.1 | 107.5 | 172.5 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | K207 C208 N209 I210 W212 C232 C235 F239 | C205-K207 VanDerWaalsContact C-N 3.3Å; C205-K207 PolarHBondContact O-N 3.29Å; C205-C208 HydrophobicContact CB-CB 4.34Å; C205-C208 PolarHBondContact O-N 3.41Å; C205-C208 PolarHBondContact SG-N 2.87Å; C205-C208 VanDerWaalsContact SG-N 3.45Å; C205-N209 WeakPolarHBondContact O-CA 3.44Å; C205-N209 PolarHBondContact O-N 3.25Å; C205-I210 PolarHBondContact N-O 3.23Å; C205-W212 HydrophobicContact CB-CH2 4.22Å; C205-W212 HydrophobicContact CB-CZ3 3.74Å; C205-C232 HydrophobicContact CB-CB 3.94Å; C205-C232 VanDerWaalsContact CB-SG 3.57Å; C205-C232 VanDerWaalsContact SG-SG 3.67Å; C205-C235 VanDerWaalsContact SG-SG 3.64Å; C205-F239 HydrophobicContact CB-CD2 4.42Å; C205-F239 HydrophobicContact CB-CE2 3.89Å; C205-F239 HydrophobicContact CB-CZ 3.98Å; C205-F239 VanDerWaalsContact SG-CE2 3.5Å; C205-F239 WeakPolarHBondContact SG-CZ 3.46Å | ||
| 206 | K | 95.1 | Very high | 91.4 | Very high | 180 Ų | 180 | 51 Ų | 51 | 78% | 0.783 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -40 | 178.2 | -64.2 | -171.5 | 177.9 | -173.1 | 0 | 113.1 | ||
| 207 | K | 95.4 | Very high | 91.6 | Very high | 168 Ų | 168 | 50.3 Ų | 50.3 | 73% | 0.73 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -43.5 | -179.7 | -67.8 | -170.9 | 178 | -168 | 0 | 113.7 | C205 C235 | C205-K207 VanDerWaalsContact C-N 3.3Å; C205-K207 PolarHBondContact O-N 3.29Å; K207-C235 WeakPolarHBondContact CB-SG 3.49Å |
| 208 | C | 95.9 | Very high | 91.7 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -0.2 | -174.1 | -77.3 | 0 | 0 | 0 | 0 | 113.2 | C205 I210 K234 C235 | C205-C208 HydrophobicContact CB-CB 4.34Å; C205-C208 PolarHBondContact O-N 3.41Å; C205-C208 PolarHBondContact SG-N 2.87Å; C205-C208 VanDerWaalsContact SG-N 3.45Å; C208-I210 HydrophobicContact CB-CD1 4.46Å; C208-I210 PolarHBondContact O-N 3.49Å; C208-K234 HydrophobicContact CB-CB 4.29Å; C208-K234 WeakPolarHBondContact SG-CB 3.46Å; C208-C235 HydrophobicContact CB-CB 4.32Å; C208-C235 WeakPolarHBondContact CB-SG 3.27Å; C208-C235 WeakPolarHBondContact SG-CB 3.2Å; C208-C235 PolarHBondContact SG-N 3.15Å; C208-C235 VanDerWaalsContact SG-N 3.41Å; C208-C235 CovalentContact SG-SG 2.05Å; C208-C235 PolarHBondContact SG-SG 2.92Å |
| 209 | N | 95.9 | Very high | 91.8 | Very high | 104 Ų | 104 | 45.7 Ų | 45.7 | 56% | 0.556 | 21% | 0.206 | S | C | * | . | trans | 45 | 16.1 | -168.6 | -152.4 | 12.5 | 0 | 0 | 0 | 117.2 | H204 C205 | H204-N209 PolarHBondContact NE2-OD1 3.48Å; C205-N209 WeakPolarHBondContact O-CA 3.44Å; C205-N209 PolarHBondContact O-N 3.25Å | ||
| 210 | I | 94.1 | Very high | 91.8 | Very high | 54 Ų | 54 | 45 Ų | 45 | 28% | 0.277 | 21% | 0.205 | S | C | . | . | trans | -80.4 | 132.6 | 178.5 | -70.4 | 168 | 0 | 0 | 0 | 109.9 | C205 C208 W212 K234 | C205-I210 PolarHBondContact N-O 3.23Å; C208-I210 HydrophobicContact CB-CD1 4.46Å; C208-I210 PolarHBondContact O-N 3.49Å; I210-W212 HydrophobicContact CG2-CE3 4.16Å; I210-K234 HydrophobicContact CD1-CB 4.27Å; I210-K234 HydrophobicContact CD1-CD 3.57Å; I210-K234 HydrophobicContact CD1-CG 3.69Å | ||
| 211 | R | 95.1 | Very high | 91.6 | Very high | 158 Ų | 158 | 47.7 Ų | 47.7 | 60% | 0.596 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 144.1 | 166.1 | -64.6 | -179.4 | 177.9 | 85.8 | -1.8 | 109.9 | F203 H204 | F203-R211 VanDerWaalsContact O-CA 3.24Å; F203-R211 WeakPolarHBondContact O-CA 3.23Å; H204-R211 HydrophobicContact CB-CG 4.24Å |
| 212 | W | 93.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 51.3 Ų | 51.3 | 10% | 0.095 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 160.5 | 173.2 | 71.4 | 96.5 | 0 | 0 | 0 | 112.1 | F203 C205 I210 Q230 C232 F239 L276 | F203-W212 HydrophobicContact CB-CD2 3.5Å; F203-W212 VanDerWaalsContact CB-CD2 3.5Å; F203-W212 HydrophobicContact CB-CE3 3.85Å; F203-W212 HydrophobicContact CB-CG 4.04Å; F203-W212 HydrophobicContact CB-CH2 3.83Å; F203-W212 HydrophobicContact CB-CZ2 3.47Å; F203-W212 VanDerWaalsContact CB-CZ2 3.47Å; F203-W212 HydrophobicContact CB-CZ3 4Å; F203-W212 AromaticContact CD1-CZ2 3.83Å; F203-W212 HydrophobicContact CD1-CZ2 3.83Å; F203-W212 AromaticContact CD2-CD1 3.97Å; F203-W212 AromaticContact CD2-NE1 3.65Å; F203-W212 HydrophobicContact CG-CD2 4.27Å; F203-W212 AromaticContact CG-CE2 3.61Å; F203-W212 AromaticContact CG-CZ2 3.8Å; F203-W212 HydrophobicContact CG-CZ2 3.8Å; F203-W212 AromaticContact CG-NE1 3.53Å; F203-W212 PolarHBondContact N-O 2.8Å; F203-W212 PolarHBondContact O-N 3.43Å; C205-W212 HydrophobicContact CB-CH2 4.22Å; C205-W212 HydrophobicContact CB-CZ3 3.74Å; I210-W212 HydrophobicContact CG2-CE3 4.16Å; W212-Q230 HydrophobicContact CZ2-CB 4.4Å; W212-C232 HydrophobicContact CH2-CB 3.89Å; W212-C232 HydrophobicContact CZ3-CB 4.19Å; W212-F239 HydrophobicContact CH2-CB 4.22Å; W212-F239 AromaticContact CH2-CD2 3.8Å; W212-F239 HydrophobicContact CH2-CD2 3.8Å; W212-F239 HydrophobicContact CH2-CG 4.19Å; W212-F239 HydrophobicContact CZ2-CB 4.48Å; W212-L276 HydrophobicContact CG-CD1 4.43Å |
| 213 | E | 91 | Very high | 90.9 | Very high | 80 Ų | 80 | 52.4 Ų | 52.4 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.4 | -175.2 | -64.1 | 173 | 169 | 0 | 0 | 110.5 | Y200 G201 F202 R273 | Y200-E213 HydrophobicContact CE1-CB 3.87Å; Y200-E213 HydrophobicContact CE1-CG 4.2Å; Y200-E213 PolarHBondContact OH-OE2 3.45Å; G201-E213 WeakPolarHBondContact O-CA 3.44Å; F202-E213 HydrophobicContact CD1-CG 3.76Å; F202-E213 HydrophobicContact CE1-CG 4.07Å; F202-E213 WeakPolarHBondContact CE1-OE1 3.11Å; E213-R273 PolarHBondContact O-NE 3.09Å; E213-R273 PolarHBondContact O-NH2 2.79Å |
| 214 | S | 87.8 | Confident | 90.6 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 120.8 | 179.5 | -78.9 | 0 | 0 | 0 | 0 | 110.6 | G201 Y216 Q230 R273 | G201-S214 PolarHBondContact N-O 3.02Å; G201-S214 PolarHBondContact O-N 3.29Å; S214-Y216 PolarHBondContact O-N 3.46Å; S214-Q230 VanDerWaalsContact CB-NE2 3.26Å; S214-Q230 PolarHBondContact OG-NE2 3.29Å; S214-Q230 PolarHBondContact OG-OE1 3.48Å; S214-R273 WeakPolarHBondContact OG-CD 3.44Å |
| 215 | A | 81.1 | Confident | 90.4 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -5.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y200 I247 | Y200-A215 HydrophobicContact CD2-CB 3.71Å; Y200-A215 HydrophobicContact CE2-CB 3.76Å; A215-I247 WeakPolarHBondContact O-CD1 3.07Å |
| 216 | Y | 81.4 | Confident | 90.2 | Very high | 13 Ų | 13 | 61.9 Ų | 61.9 | 5% | 0.051 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 66.1 | -171.9 | -58.8 | -78.1 | 0 | 0 | 0 | 111 | Q198 S214 N267 M268 R270 H272 | Q198-Y216 VanDerWaalsContact OE1-CD1 3.31Å; S214-Y216 PolarHBondContact O-N 3.46Å; Y216-N267 PolarHBondContact OH-O 3Å; Y216-M268 VanDerWaalsContact OH-CA 3.25Å; Y216-M268 WeakPolarHBondContact OH-CA 3.02Å; Y216-M268 PolarHBondContact OH-O 2.81Å; Y216-R270 HydrophobicContact CE2-CB 3.75Å; Y216-R270 HydrophobicContact CE2-CG 4.03Å; Y216-R270 WeakPolarHBondContact CE2-O 3.36Å; Y216-R270 WeakPolarHBondContact OH-CA 3.49Å; Y216-R270 WeakPolarHBondContact OH-CB 3.4Å; Y216-R270 PolarHBondContact OH-N 2.85Å; Y216-R270 PolarHBondContact OH-O 3.1Å; Y216-H272 WeakPolarHBondContact CB-ND1 3.44Å; Y216-H272 HydrophobicContact CG-CB 4.44Å; Y216-H272 PolarHBondContact O-CE1 2.73Å; Y216-H272 VanDerWaalsContact O-CE1 3.25Å; Y216-H272 PolarHBondContact O-ND1 3.03Å |
| 217 | V | 89.7 | Confident | 89.8 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.4 | 167.1 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | R199 F203 V226 P241 | R199-V217 PolarHBondContact N-O 3.03Å; R199-V217 PolarHBondContact O-N 3.12Å; F203-V217 HydrophobicContact CE2-CG2 3.65Å; F203-V217 HydrophobicContact CZ-CG2 3.63Å; V217-V226 HydrophobicContact CG1-CB 4.11Å; V217-V226 HydrophobicContact CG1-CG1 3.46Å; V217-V226 VanDerWaalsContact CG1-CG1 3.46Å; V217-V226 HydrophobicContact CG1-CG2 3.48Å; V217-V226 VanDerWaalsContact CG1-CG2 3.48Å; V217-P241 HydrophobicContact CG1-CG 4.27Å |
| 218 | W | 88.6 | Confident | 89.5 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.6 | 177.8 | -64.3 | 82.7 | 0 | 0 | 0 | 109.7 | L196 E197 Q198 V226 Y227 Y228 T290 | L196-W218 HydrophobicContact CB-CE3 3.67Å; L196-W218 HydrophobicContact CB-CZ3 4.27Å; E197-W218 CarbonylContact O-C 3.58Å; E197-W218 WeakPolarHBondContact O-CA 3.22Å; Q198-W218 HydrophobicContact CG-CD2 3.96Å; Q198-W218 HydrophobicContact CG-CE3 3.72Å; Q198-W218 HydrophobicContact CG-CH2 3.78Å; Q198-W218 HydrophobicContact CG-CZ2 3.92Å; Q198-W218 HydrophobicContact CG-CZ3 3.64Å; W218-V226 WeakPolarHBondContact O-CA 3.17Å; W218-Y227 WeakPolarHBondContact O-CB 3.11Å; W218-Y227 PolarHBondContact O-N 3.23Å; W218-Y228 HydrophobicContact CB-CE1 4.16Å; W218-Y228 AromaticContact CD1-CE1 3.45Å; W218-Y228 VanDerWaalsContact CD1-CE1 3.45Å; W218-Y228 AromaticContact CD1-CZ 3.44Å; W218-Y228 VanDerWaalsContact CD1-CZ 3.44Å; W218-Y228 HydrophobicContact CG-CE1 4.02Å; W218-Y228 PolarHBondContact NE1-OH 2.95Å; W218-T290 WeakPolarHBondContact CH2-O 3.34Å |
| 219 | C | 90.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 155.1 | 175.2 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | L196 E197 S221 K225 | L196-C219 CarbonylContact C-O 3.56Å; L196-C219 WeakPolarHBondContact CA-O 3.28Å; E197-C219 PolarHBondContact N-O 2.68Å; E197-C219 PolarHBondContact O-N 3.42Å; C219-S221 PolarHBondContact O-N 3.35Å; C219-K225 CarbonylContact C-O 3.4Å; C219-K225 VanDerWaalsContact CA-O 3.27Å; C219-K225 WeakPolarHBondContact CA-O 3.36Å |
| 220 | I | 89 | Confident | 89.2 | Confident | 29 Ų | 29 | 48 Ų | 48 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 124.9 | 166.7 | -63.2 | 166.4 | 0 | 0 | 0 | 107.4 | Q194 L196 S223 K225 | Q194-I220 HydrophobicContact CB-CG2 4.12Å; Q194-I220 HydrophobicContact CG-CG2 4.3Å; L196-I220 HydrophobicContact CD2-CG1 4.31Å; I220-S223 CarbonylContact O-C 3.52Å; I220-S223 WeakPolarHBondContact O-CA 3.33Å; I220-S223 WeakPolarHBondContact O-CB 3.47Å; I220-S223 PolarHBondContact O-N 3.47Å; I220-S223 VanDerWaalsContact O-O 3.1Å; I220-S223 PolarHBondContact O-OG 2.83Å; I220-K225 HydrophobicContact CD1-CB 4.42Å; I220-K225 HydrophobicContact CD1-CD 3.99Å; I220-K225 HydrophobicContact CD1-CG 4.15Å; I220-K225 PolarHBondContact N-O 2.81Å |
| 221 | S | 86.1 | Confident | 89.3 | Confident | 63 Ų | 63 | 46.7 Ų | 46.7 | 44% | 0.441 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 141.7 | -178.4 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | F195 C219 S223 | F195-S221 WeakPolarHBondContact O-CB 3.36Å; F195-S221 PolarHBondContact O-N 2.73Å; C219-S221 PolarHBondContact O-N 3.35Å; S221-S223 PolarHBondContact O-N 3.17Å |
| 222 | G | 83.3 | Confident | 89.2 | Confident | 77 Ų | 77 | 39.1 Ų | 39.1 | 79% | 0.794 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 2.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 223 | S | 87.8 | Confident | 89.2 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -139.6 | 166 | -179.9 | 85.5 | 0 | 0 | 0 | 0 | 113.4 | R199 I220 S221 K225 | R199-S223 PolarHBondContact NH1-O 2.83Å; I220-S223 CarbonylContact O-C 3.52Å; I220-S223 WeakPolarHBondContact O-CA 3.33Å; I220-S223 WeakPolarHBondContact O-CB 3.47Å; I220-S223 PolarHBondContact O-N 3.47Å; I220-S223 VanDerWaalsContact O-O 3.1Å; I220-S223 PolarHBondContact O-OG 2.83Å; S221-S223 PolarHBondContact O-N 3.17Å; S223-K225 VanDerWaalsContact C-N 3.34Å; S223-K225 WeakPolarHBondContact OG-CB 3.43Å; S223-K225 PolarHBondContact OG-N 3.28Å; S223-K225 VanDerWaalsContact OG-N 3.12Å |
| 224 | S | 90.2 | Very high | 89.4 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | trans | -92.9 | 11.2 | 169.5 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | V226 V244 | S224-V226 PolarHBondContact O-N 3.37Å; S224-V244 VanDerWaalsContact CB-CG2 3.5Å; S224-V244 WeakPolarHBondContact OG-CG2 3.38Å | ||
| 225 | K | 91.4 | Very high | 89.7 | Confident | 146 Ų | 146 | 50.4 Ų | 50.4 | 64% | 0.635 | 27% | 0.267 | S | S | * | . | trans | -80.4 | 113.2 | -177.3 | -177.4 | 170.9 | 172.8 | -178.3 | 0 | 110.5 | C219 I220 S223 | C219-K225 CarbonylContact C-O 3.4Å; C219-K225 VanDerWaalsContact CA-O 3.27Å; C219-K225 WeakPolarHBondContact CA-O 3.36Å; I220-K225 HydrophobicContact CD1-CB 4.42Å; I220-K225 HydrophobicContact CD1-CD 3.99Å; I220-K225 HydrophobicContact CD1-CG 4.15Å; I220-K225 PolarHBondContact N-O 2.81Å; S223-K225 VanDerWaalsContact C-N 3.34Å; S223-K225 WeakPolarHBondContact OG-CB 3.43Å; S223-K225 PolarHBondContact OG-N 3.28Å; S223-K225 VanDerWaalsContact OG-N 3.12Å | ||
| 226 | V | 91.4 | Very high | 90.3 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -75.1 | 139.4 | -177.9 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | V217 W218 S224 Y228 P241 V244 | V217-V226 HydrophobicContact CG1-CB 4.11Å; V217-V226 HydrophobicContact CG1-CG1 3.46Å; V217-V226 VanDerWaalsContact CG1-CG1 3.46Å; V217-V226 HydrophobicContact CG1-CG2 3.48Å; V217-V226 VanDerWaalsContact CG1-CG2 3.48Å; W218-V226 WeakPolarHBondContact O-CA 3.17Å; S224-V226 PolarHBondContact O-N 3.37Å; V226-Y228 WeakPolarHBondContact CG1-O 3.4Å; V226-P241 HydrophobicContact CG2-CG 3.55Å; V226-V244 HydrophobicContact CG2-CG1 4.3Å |
| 227 | Y | 87.8 | Confident | 90.9 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -80.7 | -35.3 | -176.8 | -170.6 | -122 | 0 | 0 | 0 | 113.9 | L196 W218 K294 | L196-Y227 HydrophobicContact CD1-CD1 3.55Å; L196-Y227 HydrophobicContact CD1-CE1 4.04Å; L196-Y227 HydrophobicContact CD1-CG 3.91Å; L196-Y227 HydrophobicContact CD2-CD1 4.29Å; L196-Y227 HydrophobicContact CD2-CD2 4.09Å; L196-Y227 HydrophobicContact CD2-CG 3.76Å; W218-Y227 WeakPolarHBondContact O-CB 3.11Å; W218-Y227 PolarHBondContact O-N 3.23Å; Y227-K294 HydrophobicContact CE2-CD 3.52Å; Y227-K294 WeakPolarHBondContact OH-CD 3.32Å; Y227-K294 WeakPolarHBondContact OH-CE 3.38Å; Y227-K294 PolarHBondContact OH-NZ 3.41Å; Y227-K294 VanDerWaalsContact OH-NZ 3.09Å |
| 228 | Y | 88.8 | Confident | 91.1 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -145.1 | 144.2 | 175.5 | 59 | -104.7 | 0 | 0 | 0 | 112.6 | W218 V226 H272 C277 R279 C287 | W218-Y228 HydrophobicContact CB-CE1 4.16Å; W218-Y228 AromaticContact CD1-CE1 3.45Å; W218-Y228 VanDerWaalsContact CD1-CE1 3.45Å; W218-Y228 AromaticContact CD1-CZ 3.44Å; W218-Y228 VanDerWaalsContact CD1-CZ 3.44Å; W218-Y228 HydrophobicContact CG-CE1 4.02Å; W218-Y228 PolarHBondContact NE1-OH 2.95Å; V226-Y228 WeakPolarHBondContact CG1-O 3.4Å; Y228-H272 AromaticContact CE2-CE1 3.64Å; Y228-H272 AromaticContact CE2-NE2 3.76Å; Y228-H272 AromaticContact CZ-CE1 3.8Å; Y228-H272 AromaticContact CZ-NE2 3.9Å; Y228-H272 PolarHBondContact OH-CE1 3.34Å; Y228-H272 PolarHBondContact OH-NE2 3.01Å; Y228-H272 VanDerWaalsContact OH-NE2 3.15Å; Y228-C277 HydrophobicContact CE2-CB 4.47Å; Y228-C277 WeakPolarHBondContact CE2-SG 3.25Å; Y228-R279 HydrophobicContact CD1-CB 4.2Å; Y228-R279 HydrophobicContact CD2-CB 4.4Å; Y228-R279 HydrophobicContact CG-CB 4.05Å; Y228-C287 VanDerWaalsContact OH-CB 3.22Å; Y228-C287 WeakPolarHBondContact OH-CB 3.44Å |
| 229 | K | 92.8 | Very high | 91.4 | Very high | 102 Ų | 102 | 58.9 Ų | 58.9 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | trans | -72 | 164 | -178 | -72.6 | 171.6 | -178.3 | -179.8 | 0 | 112.5 | F239 N240 C278 | K229-F239 WeakPolarHBondContact CA-O 3.45Å; K229-F239 WeakPolarHBondContact CB-O 3.45Å; K229-N240 WeakPolarHBondContact CG-OD1 3.38Å; K229-C278 HydrophobicContact CB-CB 4.32Å; K229-C278 VanDerWaalsContact CB-SG 3.57Å; K229-C278 VanDerWaalsContact O-CB 3.28Å; K229-C278 WeakPolarHBondContact O-CB 3.44Å; K229-C278 PolarHBondContact O-N 3.47Å; K229-C278 VanDerWaalsContact O-N 3.12Å; K229-C278 PolarHBondContact O-SG 2.99Å | ||
| 230 | Q | 93.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 136.6 | 165.8 | -64.2 | -166.9 | 0.4 | 0 | 0 | 111.7 | F203 W212 S214 G238 F239 L276 | F203-Q230 HydrophobicContact CD1-CB 4.21Å; F203-Q230 HydrophobicContact CE1-CB 3.69Å; F203-Q230 HydrophobicContact CE1-CG 3.89Å; F203-Q230 HydrophobicContact CE2-CG 4.35Å; F203-Q230 HydrophobicContact CZ-CB 3.96Å; F203-Q230 HydrophobicContact CZ-CG 3.65Å; W212-Q230 HydrophobicContact CZ2-CB 4.4Å; S214-Q230 VanDerWaalsContact CB-NE2 3.26Å; S214-Q230 PolarHBondContact OG-NE2 3.29Å; S214-Q230 PolarHBondContact OG-OE1 3.48Å; Q230-G238 WeakPolarHBondContact O-CA 3.16Å; Q230-F239 PolarHBondContact N-O 3.02Å; Q230-F239 PolarHBondContact O-N 3.35Å; Q230-L276 CarbonylContact C-O 3.56Å; Q230-L276 WeakPolarHBondContact CA-O 3.5Å; Q230-L276 HydrophobicContact CB-CB 4.32Å |
| 231 | L | 94.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 138.4 | 177.1 | -56.4 | -178.3 | 0 | 0 | 0 | 110.8 | V237 L276 C278 K281 | L231-V237 WeakPolarHBondContact CA-O 3.22Å; L231-L276 PolarHBondContact N-O 2.81Å; L231-C278 WeakPolarHBondContact CD2-SG 3.43Å; L231-K281 HydrophobicContact CD1-CD 3.54Å |
| 232 | C | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -69.3 | 133.2 | 166.1 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | C205 W212 K234 C235 Q236 V237 F239 | C205-C232 HydrophobicContact CB-CB 3.94Å; C205-C232 VanDerWaalsContact CB-SG 3.57Å; C205-C232 VanDerWaalsContact SG-SG 3.67Å; W212-C232 HydrophobicContact CH2-CB 3.89Å; W212-C232 HydrophobicContact CZ3-CB 4.19Å; C232-K234 VanDerWaalsContact C-N 3.34Å; C232-K234 PolarHBondContact O-N 2.83Å; C232-C235 HydrophobicContact CB-CB 3.96Å; C232-Q236 VanDerWaalsContact O-CA 3.29Å; C232-Q236 WeakPolarHBondContact O-CA 3.45Å; C232-Q236 PolarHBondContact O-N 2.67Å; C232-V237 PolarHBondContact N-O 3.15Å; C232-F239 HydrophobicContact CB-CD2 4.12Å; C232-F239 HydrophobicContact CB-CE2 3.83Å | ||
| 233 | R | 92.6 | Very high | 92.8 | Very high | 146 Ų | 146 | 68 Ų | 68 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -42.5 | 179.5 | -76.9 | -176.2 | 170.1 | -174.3 | -6.2 | 114.4 | Q236 D275 L276 | R233-Q236 PolarHBondContact O-NE2 3.09Å; R233-D275 IonicContact CZ-OD2 3.35Å; R233-D275 IonicContact NE-OD2 3.18Å; R233-D275 PolarHBondContact NE-OD2 3.2Å; R233-D275 IonicContact NH2-OD2 2.7Å; R233-D275 PolarHBondContact NH2-OD2 3.05Å; R233-L276 HydrophobicContact CG-CD1 4.4Å; R233-L276 HydrophobicContact CG-CD2 3.32Å; R233-L276 HydrophobicContact CG-CG 4.48Å |
| 234 | K | 94.3 | Very high | 93.1 | Very high | 160 Ų | 160 | 67.4 Ų | 67.4 | 70% | 0.696 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -56.1 | 177.6 | -72.1 | -168.2 | -178.7 | -177.6 | 0 | 111.6 | C208 I210 C232 Q236 | C208-K234 HydrophobicContact CB-CB 4.29Å; C208-K234 WeakPolarHBondContact SG-CB 3.46Å; I210-K234 HydrophobicContact CD1-CB 4.27Å; I210-K234 HydrophobicContact CD1-CD 3.57Å; I210-K234 HydrophobicContact CD1-CG 3.69Å; C232-K234 VanDerWaalsContact C-N 3.34Å; C232-K234 PolarHBondContact O-N 2.83Å; K234-Q236 PolarHBondContact O-N 3.47Å |
| 235 | C | 94.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 66.4 Ų | 66.4 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -15.2 | -169.3 | -80.9 | 0 | 0 | 0 | 0 | 114.5 | C205 K207 C208 C232 V237 | C205-C235 VanDerWaalsContact SG-SG 3.64Å; K207-C235 WeakPolarHBondContact CB-SG 3.49Å; C208-C235 HydrophobicContact CB-CB 4.32Å; C208-C235 WeakPolarHBondContact CB-SG 3.27Å; C208-C235 WeakPolarHBondContact SG-CB 3.2Å; C208-C235 PolarHBondContact SG-N 3.15Å; C208-C235 VanDerWaalsContact SG-N 3.41Å; C208-C235 CovalentContact SG-SG 2.05Å; C208-C235 PolarHBondContact SG-SG 2.92Å; C232-C235 HydrophobicContact CB-CB 3.96Å; C235-V237 PolarHBondContact O-N 3.43Å |
| 236 | Q | 93.6 | Very high | 93 | Very high | 88 Ų | 88 | 62.2 Ų | 62.2 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | trans | 50.3 | 15.1 | -175.8 | -60.8 | -63.3 | -37.6 | 0 | 0 | 116.2 | C232 R233 K234 | C232-Q236 VanDerWaalsContact O-CA 3.29Å; C232-Q236 WeakPolarHBondContact O-CA 3.45Å; C232-Q236 PolarHBondContact O-N 2.67Å; R233-Q236 PolarHBondContact O-NE2 3.09Å; K234-Q236 PolarHBondContact O-N 3.47Å | ||
| 237 | V | 94.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | trans | -85.9 | 140.4 | 170.8 | 173.6 | 0 | 0 | 0 | 0 | 109.7 | L231 C232 C235 F239 | L231-V237 WeakPolarHBondContact CA-O 3.22Å; C232-V237 PolarHBondContact N-O 3.15Å; C235-V237 PolarHBondContact O-N 3.43Å; V237-F239 HydrophobicContact CB-CE2 3.75Å; V237-F239 HydrophobicContact CB-CZ 4.13Å; V237-F239 HydrophobicContact CG1-CD2 4.47Å; V237-F239 HydrophobicContact CG1-CE2 3.81Å; V237-F239 HydrophobicContact CG1-CZ 3.89Å; V237-F239 WeakPolarHBondContact O-CD2 3.34Å; V237-F239 VanDerWaalsContact O-CE2 3.24Å; V237-F239 WeakPolarHBondContact O-CE2 3.34Å | ||
| 238 | G | 94.5 | Very high | 92.8 | Very high | 25 Ų | 25 | 60 Ų | 60 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 124.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q230 | Q230-G238 WeakPolarHBondContact O-CA 3.16Å |
| 239 | F | 95.1 | Very high | 92.7 | Very high | 41 Ų | 41 | 59.3 Ų | 59.3 | 18% | 0.18 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 146.9 | 177.6 | -66.1 | -90.2 | 0 | 0 | 0 | 111.2 | F203 C205 W212 K229 Q230 C232 V237 | F203-F239 HydrophobicContact CD1-CB 4.34Å; F203-F239 WeakPolarHBondContact CE1-O 3.44Å; C205-F239 HydrophobicContact CB-CD2 4.42Å; C205-F239 HydrophobicContact CB-CE2 3.89Å; C205-F239 HydrophobicContact CB-CZ 3.98Å; C205-F239 VanDerWaalsContact SG-CE2 3.5Å; C205-F239 WeakPolarHBondContact SG-CZ 3.46Å; W212-F239 HydrophobicContact CH2-CB 4.22Å; W212-F239 AromaticContact CH2-CD2 3.8Å; W212-F239 HydrophobicContact CH2-CD2 3.8Å; W212-F239 HydrophobicContact CH2-CG 4.19Å; W212-F239 HydrophobicContact CZ2-CB 4.48Å; K229-F239 WeakPolarHBondContact CA-O 3.45Å; K229-F239 WeakPolarHBondContact CB-O 3.45Å; Q230-F239 PolarHBondContact N-O 3.02Å; Q230-F239 PolarHBondContact O-N 3.35Å; C232-F239 HydrophobicContact CB-CD2 4.12Å; C232-F239 HydrophobicContact CB-CE2 3.83Å; V237-F239 HydrophobicContact CB-CE2 3.75Å; V237-F239 HydrophobicContact CB-CZ 4.13Å; V237-F239 HydrophobicContact CG1-CD2 4.47Å; V237-F239 HydrophobicContact CG1-CE2 3.81Å; V237-F239 HydrophobicContact CG1-CZ 3.89Å; V237-F239 WeakPolarHBondContact O-CD2 3.34Å; V237-F239 VanDerWaalsContact O-CE2 3.24Å; V237-F239 WeakPolarHBondContact O-CE2 3.34Å |
| 240 | N | 94.6 | Very high | 92.2 | Very high | 93 Ų | 93 | 61.1 Ų | 61.1 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | trans | -78.9 | 152.6 | 157.4 | -68.4 | -24.8 | 0 | 0 | 0 | 108.3 | K229 | K229-N240 WeakPolarHBondContact CG-OD1 3.38Š| ||
| 241 | P | 95.2 | Very high | 91.9 | Very high | 20 Ų | 20 | 64.5 Ų | 64.5 | 13% | 0.13 | 33% | 0.331 | C | S | . | . | trans | -65.9 | 150 | 167.1 | 31.6 | -35.3 | 0 | 0 | 0 | 109.9 | F202 F203 V217 V226 V244 | F202-P241 CarbonylContact O-C 3.53Å; F202-P241 WeakPolarHBondContact O-CA 3.34Å; F202-P241 WeakPolarHBondContact O-CB 3.48Å; F203-P241 HydrophobicContact CD1-CB 4.11Å; F203-P241 HydrophobicContact CD2-CB 4.18Å; F203-P241 HydrophobicContact CE1-CB 3.89Å; F203-P241 VanDerWaalsContact CE1-CD 3.48Å; F203-P241 HydrophobicContact CE1-CG 4.2Å; F203-P241 VanDerWaalsContact CE1-N 3.29Å; F203-P241 HydrophobicContact CE2-CB 3.94Å; F203-P241 HydrophobicContact CG-CB 4.25Å; F203-P241 HydrophobicContact CZ-CB 3.79Å; F203-P241 HydrophobicContact CZ-CG 4.05Å; V217-P241 HydrophobicContact CG1-CG 4.27Å; V226-P241 HydrophobicContact CG2-CG 3.55Å; P241-V244 HydrophobicContact CB-CG1 4.08Å; P241-V244 HydrophobicContact CG-CG1 3.51Å | ||
| 242 | Y | 95.2 | Very high | 91.6 | Very high | 130 Ų | 130 | 65.2 Ų | 65.2 | 51% | 0.51 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -88.2 | -19.8 | 174.4 | 66.3 | -95.4 | 0 | 0 | 0 | 112.3 | F202 H204 | F202-Y242 VanDerWaalsContact C-CE1 3.49Å; F202-Y242 HydrophobicContact CB-CD1 4.38Å; F202-Y242 HydrophobicContact CB-CE1 3.71Å; F202-Y242 HydrophobicContact CB-CE2 4.03Å; F202-Y242 WeakPolarHBondContact O-CD1 3.14Å; F202-Y242 WeakPolarHBondContact O-CE1 3.34Å; F202-Y242 PolarHBondContact O-N 3.48Å; H204-Y242 HydrophobicContact CB-CD1 3.92Å; H204-Y242 HydrophobicContact CB-CE1 3.98Å |
| 243 | R | 93.8 | Very high | 91.2 | Very high | 117 Ų | 117 | 69.6 Ų | 69.6 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 141.4 | 173.2 | -168.4 | 170.3 | 76.6 | -140 | 2.6 | 109.5 | F202 E245 | F202-R243 HydrophobicContact CB-CB 4.33Å; F202-R243 HydrophobicContact CD2-CB 4.02Å; F202-R243 HydrophobicContact CD2-CG 4.34Å; F202-R243 HydrophobicContact CG-CB 4.5Å; F202-R243 PolarHBondContact N-O 3.04Å; R243-E245 IonicContact CZ-OE1 3.26Å; R243-E245 VanDerWaalsContact CZ-OE1 3.26Å; R243-E245 IonicContact NE-OE1 2.73Å; R243-E245 PolarHBondContact NE-OE1 3.1Å; R243-E245 IonicContact NH2-OE1 2.99Å; R243-E245 PolarHBondContact NH2-OE1 2.85Å |
| 244 | V | 92.7 | Very high | 90.8 | Very high | 27 Ų | 27 | 68.4 Ų | 68.4 | 16% | 0.164 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.8 | 170.6 | -66.3 | 0 | 0 | 0 | 0 | 110 | R199 Y200 S224 V226 P241 | R199-V244 HydrophobicContact CB-CB 4.41Å; Y200-V244 CarbonylContact O-C 3.45Å; Y200-V244 VanDerWaalsContact O-CA 3.23Å; Y200-V244 WeakPolarHBondContact O-CA 3.32Å; S224-V244 VanDerWaalsContact CB-CG2 3.5Å; S224-V244 WeakPolarHBondContact OG-CG2 3.38Å; V226-V244 HydrophobicContact CG2-CG1 4.3Å; P241-V244 HydrophobicContact CB-CG1 4.08Å; P241-V244 HydrophobicContact CG-CG1 3.51Å |
| 245 | E | 92.1 | Very high | 90.2 | Very high | 58 Ų | 58 | 64.4 Ų | 64.4 | 27% | 0.271 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 151 | -178.3 | -71.3 | 169.2 | -145.8 | 0 | 0 | 109.2 | R199 Y200 F202 R243 | R199-E245 WeakPolarHBondContact CB-O 3.44Å; Y200-E245 PolarHBondContact N-O 3.47Å; Y200-E245 PolarHBondContact O-N 3.06Å; F202-E245 HydrophobicContact CE2-CB 4.45Å; F202-E245 HydrophobicContact CE2-CG 4.01Å; F202-E245 WeakPolarHBondContact CE2-OE1 3.14Å; F202-E245 WeakPolarHBondContact CZ-OE1 3.22Å; R243-E245 IonicContact CZ-OE1 3.26Å; R243-E245 VanDerWaalsContact CZ-OE1 3.26Å; R243-E245 IonicContact NE-OE1 2.73Å; R243-E245 PolarHBondContact NE-OE1 3.1Å; R243-E245 IonicContact NH2-OE1 2.99Å; R243-E245 PolarHBondContact NH2-OE1 2.85Å |
| 246 | S | 88.5 | Confident | 89.6 | Confident | 57 Ų | 57 | 67.5 Ų | 67.5 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 150.2 | 174.2 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | V248 | S246-V248 PolarHBondContact O-N 3.04Å; S246-V248 WeakPolarHBondContact OG-CG2 3.45Å |
| 247 | I | 87.2 | Confident | 89.2 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -84.8 | 65.4 | -178.8 | -51.7 | 177.9 | 0 | 0 | 0 | 109 | Q198 A215 T255 H265 M268 | Q198-I247 HydrophobicContact CB-CD1 3.76Å; Q198-I247 WeakPolarHBondContact O-CD1 3.29Å; A215-I247 WeakPolarHBondContact O-CD1 3.07Å; I247-T255 WeakPolarHBondContact O-CA 3.44Å; I247-T255 WeakPolarHBondContact O-CG2 3.28Å; I247-H265 VanDerWaalsContact CG2-O 3.22Å; I247-H265 WeakPolarHBondContact CG2-O 3.22Å; I247-M268 HydrophobicContact CG2-CG 4.24Å |
| 248 | V | 86.8 | Confident | 88.7 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 25% | 0.248 | 39% | 0.386 | C | S | . | . | trans | -120.1 | 147.3 | -175.6 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | S246 S253 T255 H265 | S246-V248 PolarHBondContact O-N 3.04Å; S246-V248 WeakPolarHBondContact OG-CG2 3.45Å; V248-S253 WeakPolarHBondContact CB-O 3.49Å; V248-S253 WeakPolarHBondContact CG1-O 2.94Å; V248-T255 HydrophobicContact CG1-CG2 4.15Å; V248-H265 PolarHBondContact O-CE1 3.24Å; V248-H265 PolarHBondContact O-NE2 3.47Å | ||
| 249 | C | 86.1 | Confident | 88.3 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 3% | 0.027 | 39% | 0.387 | C | S | . | . | trans | -69.9 | 127.6 | 172.8 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | G251 C252 S253 Q254 C257 I266 | C249-G251 PolarHBondContact O-N 3.19Å; C249-G251 PolarHBondContact SG-N 2.79Å; C249-G251 VanDerWaalsContact SG-N 3.41Å; C249-C252 PolarHBondContact O-N 3.31Å; C249-S253 WeakPolarHBondContact O-CA 3.25Å; C249-S253 PolarHBondContact O-N 2.87Å; C249-Q254 WeakPolarHBondContact CB-O 3.26Å; C249-Q254 PolarHBondContact N-O 3.05Å; C249-C257 HydrophobicContact CB-CB 3.98Å; C249-C257 VanDerWaalsContact CB-SG 3.59Å; C249-I266 HydrophobicContact CB-CD1 3.74Å; C249-I266 HydrophobicContact CB-CG1 4.02Å | ||
| 250 | K | 84.1 | Confident | 87.7 | Confident | 141 Ų | 141 | 74.5 Ų | 74.5 | 61% | 0.613 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.1 | 176.6 | -67.5 | -172 | -176.1 | 166.5 | 0 | 114.6 | Q263 | K250-Q263 VanDerWaalsContact CE-OE1 3.31Š|
| 251 | G | 86 | Confident | 87.1 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 74% | 0.742 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -33.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C249 | C249-G251 PolarHBondContact O-N 3.19Å; C249-G251 PolarHBondContact SG-N 2.79Å; C249-G251 VanDerWaalsContact SG-N 3.41Å |
| 252 | C | 88.1 | Confident | 86.1 | Confident | 42 Ų | 42 | 84 Ų | 84 | 28% | 0.284 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | 9.1 | -173.4 | 67.9 | 0 | 0 | 0 | 0 | 114.9 | C249 Q254 C257 | C249-C252 PolarHBondContact O-N 3.31Å; C252-Q254 PolarHBondContact O-N 3.49Å; C252-C257 WeakPolarHBondContact SG-CB 3.49Å |
| 253 | S | 86.1 | Confident | 84.9 | Confident | 92 Ų | 92 | 82.6 Ų | 82.6 | 64% | 0.643 | 45% | 0.453 | S | S | * | . | trans | 54.7 | 1.8 | -176.7 | 69.2 | 0 | 0 | 0 | 0 | 117.8 | V248 C249 | V248-S253 WeakPolarHBondContact CB-O 3.49Å; V248-S253 WeakPolarHBondContact CG1-O 2.94Å; C249-S253 WeakPolarHBondContact O-CA 3.25Å; C249-S253 PolarHBondContact O-N 2.87Å | ||
| 254 | Q | 85.3 | Confident | 83.8 | Confident | 121 Ų | 121 | 87.4 Ų | 87.4 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | trans | -84.3 | 148 | 179.5 | -64.6 | -178.6 | 17.4 | 0 | 0 | 113.2 | C249 C252 | C249-Q254 WeakPolarHBondContact CB-O 3.26Å; C249-Q254 PolarHBondContact N-O 3.05Å; C252-Q254 PolarHBondContact O-N 3.49Å | ||
| 255 | T | 80.5 | Confident | 82.8 | Confident | 75 Ų | 75 | 86.8 Ų | 86.8 | 46% | 0.46 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -74.7 | -31.6 | 176 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | I247 V248 | I247-T255 WeakPolarHBondContact O-CA 3.44Å; I247-T255 WeakPolarHBondContact O-CG2 3.28Å; V248-T255 HydrophobicContact CG1-CG2 4.15Å |
| 256 | C | 82.1 | Confident | 82.1 | Confident | 104 Ų | 104 | 84.6 Ų | 84.6 | 70% | 0.703 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -119.2 | 97.9 | 174.3 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 257 | C | 84.6 | Confident | 81.4 | Confident | 12 Ų | 12 | 86.3 Ų | 86.3 | 8% | 0.081 | 46% | 0.461 | C | S | . | . | trans | -116.2 | 149.5 | -177.6 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | C249 C252 K262 | C249-C257 HydrophobicContact CB-CB 3.98Å; C249-C257 VanDerWaalsContact CB-SG 3.59Å; C252-C257 WeakPolarHBondContact SG-CB 3.49Å; C257-K262 WeakPolarHBondContact O-CE 3.2Å; C257-K262 PolarHBondContact O-NZ 3.48Å | ||
| 258 | S | 83.4 | Confident | 80.7 | Confident | 119 Ų | 119 | 90.3 Ų | 90.3 | 83% | 0.832 | 48% | 0.481 | S | S | * | . | trans | -84.9 | -8.5 | 170.4 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | E260 | S258-E260 PolarHBondContact O-N 2.81Š| ||
| 259 | C | 86.4 | Confident | 80 | Confident | 41 Ų | 41 | 97.9 Ų | 97.9 | 28% | 0.277 | 51% | 0.51 | S | S | . | . | trans | -49.4 | 136.8 | -178 | -51.9 | 0 | 0 | 0 | 0 | 113.2 | K262 | C259-K262 WeakPolarHBondContact O-CE 3.41Å; C259-K262 WeakPolarHBondContact O-CG 3.47Å | ||
| 260 | E | 83.3 | Confident | 79.4 | Confident | 188 Ų | 188 | 102.3 Ų | 102.3 | 88% | 0.879 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -64.9 | -48.4 | -178.3 | -60.5 | 171.5 | 174.5 | 0 | 0 | 112.3 | S258 K262 | S258-E260 PolarHBondContact O-N 2.81Å; E260-K262 VanDerWaalsContact C-N 3.31Å; E260-K262 PolarHBondContact O-N 3.19Å |
| 261 | K | 81.3 | Confident | 79 | Confident | 193 Ų | 193 | 100 Ų | 100 | 84% | 0.839 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -82 | 69.4 | -177.3 | -65.9 | -179.9 | -177.8 | 173.5 | 0 | 111.9 | Q263 | K261-Q263 PolarHBondContact O-N 3.16Š|
| 262 | K | 73.6 | Confident | 78.7 | Confident | 120 Ų | 120 | 97 Ų | 97 | 52% | 0.522 | 49% | 0.493 | S | S | . | . | trans | -74.3 | 105.6 | 177.2 | -59.6 | -172.5 | 178 | -176.2 | 0 | 111.5 | C257 C259 E260 I266 | C257-K262 WeakPolarHBondContact O-CE 3.2Å; C257-K262 PolarHBondContact O-NZ 3.48Å; C259-K262 WeakPolarHBondContact O-CE 3.41Å; C259-K262 WeakPolarHBondContact O-CG 3.47Å; E260-K262 VanDerWaalsContact C-N 3.31Å; E260-K262 PolarHBondContact O-N 3.19Å; K262-I266 HydrophobicContact CB-CB 4.4Å; K262-I266 HydrophobicContact CB-CD1 4.24Å; K262-I266 HydrophobicContact CB-CG2 4.35Å; K262-I266 HydrophobicContact CD-CG2 4.14Å; K262-I266 HydrophobicContact CG-CG2 4.25Å | ||
| 263 | Q | 71.3 | Confident | 78.5 | Confident | 100 Ų | 100 | 98 Ų | 98 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | trans | -62.7 | 160.6 | 169 | -68.7 | -151.9 | -5.1 | 0 | 0 | 112.7 | K250 K261 H265 I266 | K250-Q263 VanDerWaalsContact CE-OE1 3.31Å; K261-Q263 PolarHBondContact O-N 3.16Å; Q263-H265 PolarHBondContact O-N 3.17Å; Q263-I266 HydrophobicContact CB-CD1 4.48Å; Q263-I266 PolarHBondContact O-N 3.43Å; Q263-I266 VanDerWaalsContact O-N 3.09Å | ||
| 264 | R | 70.1 | Confident | 78.5 | Confident | 217 Ų | 217 | 98.1 Ų | 98.1 | 82% | 0.819 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -14.5 | -169.4 | -62.9 | -178.9 | -175.9 | -100.6 | -0.1 | 116.4 | ||
| 265 | H | 72.8 | Confident | 78.6 | Confident | 14 Ų | 14 | 95.7 Ų | 95.7 | 7% | 0.065 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -11.8 | -179.6 | 61.5 | 168 | 0 | 0 | 0 | 116.3 | Y200 I247 V248 Q263 N267 | Y200-H265 HydrophobicContact CD2-CB 3.44Å; Y200-H265 VanDerWaalsContact CD2-CB 3.44Å; Y200-H265 HydrophobicContact CE2-CB 3.69Å; Y200-H265 HydrophobicContact CG-CB 4.06Å; I247-H265 VanDerWaalsContact CG2-O 3.22Å; I247-H265 WeakPolarHBondContact CG2-O 3.22Å; V248-H265 PolarHBondContact O-CE1 3.24Å; V248-H265 PolarHBondContact O-NE2 3.47Å; Q263-H265 PolarHBondContact O-N 3.17Å; H265-N267 PolarHBondContact O-N 3.35Å |
| 266 | I | 76.4 | Confident | 79 | Confident | 13 Ų | 13 | 92.3 Ų | 92.3 | 7% | 0.067 | 45% | 0.45 | C | S | . | . | trans | -81.6 | -12 | -168.9 | -70.7 | 157.6 | 0 | 0 | 0 | 114.6 | C249 K262 Q263 M268 | C249-I266 HydrophobicContact CB-CD1 3.74Å; C249-I266 HydrophobicContact CB-CG1 4.02Å; K262-I266 HydrophobicContact CB-CB 4.4Å; K262-I266 HydrophobicContact CB-CD1 4.24Å; K262-I266 HydrophobicContact CB-CG2 4.35Å; K262-I266 HydrophobicContact CD-CG2 4.14Å; K262-I266 HydrophobicContact CG-CG2 4.25Å; Q263-I266 HydrophobicContact CB-CD1 4.48Å; Q263-I266 PolarHBondContact O-N 3.43Å; Q263-I266 VanDerWaalsContact O-N 3.09Å; I266-M268 PolarHBondContact O-N 2.98Å; I266-M268 VanDerWaalsContact O-N 3.09Å | ||
| 267 | N | 73.1 | Confident | 79.4 | Confident | 93 Ų | 93 | 87.4 Ų | 87.4 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | trans | -82.6 | 94.9 | -174.6 | -170.9 | -12.3 | 0 | 0 | 0 | 112 | Y216 H265 K269 R270 | Y216-N267 PolarHBondContact OH-O 3Å; H265-N267 PolarHBondContact O-N 3.35Å; N267-K269 VanDerWaalsContact C-N 3.3Å; N267-K269 PolarHBondContact O-N 3.33Å; N267-K269 WeakPolarHBondContact OD1-CA 3.16Å; N267-K269 WeakPolarHBondContact OD1-CB 3.44Å; N267-K269 PolarHBondContact OD1-N 3.44Å; N267-R270 HydrophobicContact CB-CB 4.34Å; N267-R270 WeakPolarHBondContact O-CB 3.05Å; N267-R270 PolarHBondContact O-N 2.91Å; N267-R270 PolarHBondContact OD1-N 3.01Å | ||
| 268 | M | 73.9 | Confident | 79.6 | Confident | 94 Ų | 94 | 89.6 Ų | 89.6 | 46% | 0.463 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.4 | 172.4 | -68.9 | -167.5 | 77 | 0 | 0 | 114.7 | Y216 I247 I266 | Y216-M268 VanDerWaalsContact OH-CA 3.25Å; Y216-M268 WeakPolarHBondContact OH-CA 3.02Å; Y216-M268 PolarHBondContact OH-O 2.81Å; I247-M268 HydrophobicContact CG2-CG 4.24Å; I266-M268 PolarHBondContact O-N 2.98Å; I266-M268 VanDerWaalsContact O-N 3.09Å |
| 269 | K | 71.6 | Confident | 79.7 | Confident | 201 Ų | 201 | 88.7 Ų | 88.7 | 87% | 0.874 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.7 | 176 | -64.2 | -173.4 | 177.9 | -176 | 0 | 113.8 | N267 | N267-K269 VanDerWaalsContact C-N 3.3Å; N267-K269 PolarHBondContact O-N 3.33Å; N267-K269 WeakPolarHBondContact OD1-CA 3.16Å; N267-K269 WeakPolarHBondContact OD1-CB 3.44Å; N267-K269 PolarHBondContact OD1-N 3.44Å |
| 270 | R | 74.3 | Confident | 79.7 | Confident | 96 Ų | 96 | 87.1 Ų | 87.1 | 36% | 0.362 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -63.1 | 142.3 | 177 | 177.6 | -178.4 | -172.2 | 159.8 | 6.6 | 108.9 | Y216 N267 | Y216-R270 HydrophobicContact CE2-CB 3.75Å; Y216-R270 HydrophobicContact CE2-CG 4.03Å; Y216-R270 WeakPolarHBondContact CE2-O 3.36Å; Y216-R270 WeakPolarHBondContact OH-CA 3.49Å; Y216-R270 WeakPolarHBondContact OH-CB 3.4Å; Y216-R270 PolarHBondContact OH-N 2.85Å; Y216-R270 PolarHBondContact OH-O 3.1Å; N267-R270 HydrophobicContact CB-CB 4.34Å; N267-R270 WeakPolarHBondContact O-CB 3.05Å; N267-R270 PolarHBondContact O-N 2.91Å; N267-R270 PolarHBondContact OD1-N 3.01Å |
| 271 | P | 74.3 | Confident | 79.9 | Confident | 94 Ų | 94 | 82.7 Ų | 82.7 | 61% | 0.61 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 147.4 | 177 | 25.9 | -33.8 | 0 | 0 | 0 | 111.5 | ||
| 272 | H | 79.9 | Confident | 80 | Confident | 9 Ų | 9 | 77.7 Ų | 77.7 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 144.6 | 164.6 | 177.6 | 67.4 | 0 | 0 | 0 | 110.5 | Y216 Y228 K274 C277 D288 | Y216-H272 WeakPolarHBondContact CB-ND1 3.44Å; Y216-H272 HydrophobicContact CG-CB 4.44Å; Y216-H272 PolarHBondContact O-CE1 2.73Å; Y216-H272 VanDerWaalsContact O-CE1 3.25Å; Y216-H272 PolarHBondContact O-ND1 3.03Å; Y228-H272 AromaticContact CE2-CE1 3.64Å; Y228-H272 AromaticContact CE2-NE2 3.76Å; Y228-H272 AromaticContact CZ-CE1 3.8Å; Y228-H272 AromaticContact CZ-NE2 3.9Å; Y228-H272 PolarHBondContact OH-CE1 3.34Å; Y228-H272 PolarHBondContact OH-NE2 3.01Å; Y228-H272 VanDerWaalsContact OH-NE2 3.15Å; H272-K274 VanDerWaalsContact C-N 3.26Å; H272-K274 PolarHBondContact O-N 3.25Å; H272-C277 VanDerWaalsContact NE2-CB 3.25Å; H272-C277 WeakPolarHBondContact NE2-CB 3.49Å; H272-C277 PolarHBondContact NE2-SG 3.46Å; H272-D288 VanDerWaalsContact CB-OD1 3.26Å; H272-D288 WeakPolarHBondContact CB-OD1 3.18Å |
| 273 | R | 83.8 | Confident | 80.4 | Confident | 63 Ų | 63 | 77.5 Ų | 77.5 | 24% | 0.238 | 38% | 0.383 | C | S | . | . | trans | -74.9 | 75.4 | 177.4 | -71 | -156.7 | -163.7 | -121.4 | 10.4 | 111.7 | E213 S214 D275 L276 C277 | E213-R273 PolarHBondContact O-NE 3.09Å; E213-R273 PolarHBondContact O-NH2 2.79Å; S214-R273 WeakPolarHBondContact OG-CD 3.44Å; R273-D275 WeakPolarHBondContact CB-OD1 3.14Å; R273-D275 PolarHBondContact O-N 2.99Å; R273-L276 HydrophobicContact CB-CG 4.45Å; R273-L276 PolarHBondContact O-N 3.2Å; R273-C277 PolarHBondContact O-N 3.44Å | ||
| 274 | K | 85.5 | Confident | 80.7 | Confident | 94 Ų | 94 | 85.1 Ų | 85.1 | 41% | 0.409 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -56.9 | -31.7 | 179.2 | -64.8 | 174.7 | -176.4 | 176.2 | 0 | 112.6 | H272 L276 C277 K281 D288 | H272-K274 VanDerWaalsContact C-N 3.26Å; H272-K274 PolarHBondContact O-N 3.25Å; K274-L276 PolarHBondContact O-N 3.39Å; K274-C277 PolarHBondContact O-N 3.4Å; K274-K281 WeakPolarHBondContact O-CA 3.46Å; K274-K281 WeakPolarHBondContact O-CB 3.43Å; K274-D288 WeakPolarHBondContact CE-OD2 3.25Å; K274-D288 IonicContact NZ-OD2 2.67Å; K274-D288 PolarHBondContact NZ-OD2 3.19Å |
| 275 | D | 87.9 | Confident | 80.8 | Confident | 70 Ų | 70 | 81 Ų | 81 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -60.9 | -29.1 | 176.2 | 62.6 | -50.7 | 0 | 0 | 0 | 113.6 | R233 R273 K281 | R233-D275 IonicContact CZ-OD2 3.35Å; R233-D275 IonicContact NE-OD2 3.18Å; R233-D275 PolarHBondContact NE-OD2 3.2Å; R233-D275 IonicContact NH2-OD2 2.7Å; R233-D275 PolarHBondContact NH2-OD2 3.05Å; R273-D275 WeakPolarHBondContact CB-OD1 3.14Å; R273-D275 PolarHBondContact O-N 2.99Å; D275-K281 WeakPolarHBondContact O-CD 2.89Å |
| 276 | L | 90.1 | Very high | 80.8 | Confident | 4 Ų | 4 | 83 Ų | 83 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -109.3 | -5.2 | -176.8 | -49.6 | -172.5 | 0 | 0 | 0 | 113.4 | W212 Q230 L231 R233 R273 K274 C278 | W212-L276 HydrophobicContact CG-CD1 4.43Å; Q230-L276 CarbonylContact C-O 3.56Å; Q230-L276 WeakPolarHBondContact CA-O 3.5Å; Q230-L276 HydrophobicContact CB-CB 4.32Å; L231-L276 PolarHBondContact N-O 2.81Å; R233-L276 HydrophobicContact CG-CD1 4.4Å; R233-L276 HydrophobicContact CG-CD2 3.32Å; R233-L276 HydrophobicContact CG-CG 4.48Å; R273-L276 HydrophobicContact CB-CG 4.45Å; R273-L276 PolarHBondContact O-N 3.2Å; K274-L276 PolarHBondContact O-N 3.39Å; L276-C278 PolarHBondContact O-N 3.4Å |
| 277 | C | 89.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -78.3 | 122 | -169.7 | -177 | 0 | 0 | 0 | 0 | 112.6 | Y228 H272 R273 K274 R279 C280 K281 C287 | Y228-C277 HydrophobicContact CE2-CB 4.47Å; Y228-C277 WeakPolarHBondContact CE2-SG 3.25Å; H272-C277 VanDerWaalsContact NE2-CB 3.25Å; H272-C277 WeakPolarHBondContact NE2-CB 3.49Å; H272-C277 PolarHBondContact NE2-SG 3.46Å; R273-C277 PolarHBondContact O-N 3.44Å; K274-C277 PolarHBondContact O-N 3.4Å; C277-R279 PolarHBondContact O-N 2.96Å; C277-R279 PolarHBondContact SG-N 3.11Å; C277-C280 WeakPolarHBondContact CB-SG 3.3Å; C277-C280 PolarHBondContact SG-N 3.16Å; C277-C280 PolarHBondContact SG-SG 3.19Å; C277-K281 WeakPolarHBondContact O-CB 3.29Å; C277-K281 PolarHBondContact O-N 3.2Å; C277-C287 VanDerWaalsContact SG-SG 3.63Å |
| 278 | C | 88.2 | Confident | 80.4 | Confident | 59 Ų | 59 | 81.7 Ų | 81.7 | 40% | 0.399 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9.5 | 175.2 | -61.4 | 0 | 0 | 0 | 0 | 113.9 | K229 L231 L276 | K229-C278 HydrophobicContact CB-CB 4.32Å; K229-C278 VanDerWaalsContact CB-SG 3.57Å; K229-C278 VanDerWaalsContact O-CB 3.28Å; K229-C278 WeakPolarHBondContact O-CB 3.44Å; K229-C278 PolarHBondContact O-N 3.47Å; K229-C278 VanDerWaalsContact O-N 3.12Å; K229-C278 PolarHBondContact O-SG 2.99Å; L231-C278 WeakPolarHBondContact CD2-SG 3.43Å; L276-C278 PolarHBondContact O-N 3.4Å |
| 279 | R | 87.1 | Confident | 79.6 | Confident | 99 Ų | 99 | 80.9 Ų | 80.9 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -32.4 | -179.4 | -177.1 | 178 | 178.6 | -154.4 | -0.7 | 114.5 | Y228 C277 M283 T290 | Y228-R279 HydrophobicContact CD1-CB 4.2Å; Y228-R279 HydrophobicContact CD2-CB 4.4Å; Y228-R279 HydrophobicContact CG-CB 4.05Å; C277-R279 PolarHBondContact O-N 2.96Å; C277-R279 PolarHBondContact SG-N 3.11Å; R279-M283 VanDerWaalsContact O-SD 3.37Å; R279-T290 VanDerWaalsContact NH1-CG2 3.26Å; R279-T290 PolarHBondContact NH1-OG1 2.92Å |
| 280 | C | 85.2 | Confident | 79 | Confident | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.054 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -5.7 | -177.6 | 62.3 | 0 | 0 | 0 | 0 | 115.8 | C277 G282 M283 L285 C287 | C277-C280 WeakPolarHBondContact CB-SG 3.3Å; C277-C280 PolarHBondContact SG-N 3.16Å; C277-C280 PolarHBondContact SG-SG 3.19Å; C280-G282 PolarHBondContact O-N 3.31Å; C280-G282 VanDerWaalsContact O-N 3.12Å; C280-M283 PolarHBondContact O-N 2.79Å; C280-M283 VanDerWaalsContact O-N 3.1Å; C280-L285 WeakPolarHBondContact CB-O 3.45Å; C280-C287 PolarHBondContact SG-SG 3.03Å |
| 281 | K | 87.9 | Confident | 77.9 | Confident | 95 Ų | 95 | 76.1 Ų | 76.1 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 120.1 | 175.4 | -177.3 | -170.1 | 175.3 | -155.5 | 0 | 109.6 | L231 K274 D275 C277 M283 | L231-K281 HydrophobicContact CD1-CD 3.54Å; K274-K281 WeakPolarHBondContact O-CA 3.46Å; K274-K281 WeakPolarHBondContact O-CB 3.43Å; D275-K281 WeakPolarHBondContact O-CD 2.89Å; C277-K281 WeakPolarHBondContact O-CB 3.29Å; C277-K281 PolarHBondContact O-N 3.2Å; K281-M283 VanDerWaalsContact C-N 3.26Å; K281-M283 PolarHBondContact O-N 3Å |
| 282 | G | 82.7 | Confident | 77 | Confident | 89 Ų | 89 | 73.1 Ų | 73.1 | 92% | 0.918 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 5.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | C280 | C280-G282 PolarHBondContact O-N 3.31Å; C280-G282 VanDerWaalsContact O-N 3.12Å |
| 283 | M | 83.7 | Confident | 75.4 | Confident | 116 Ų | 116 | 77.9 Ų | 77.9 | 57% | 0.571 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -107.6 | 152 | 178.7 | -62.8 | -169.5 | 178.3 | 0 | 0 | 111.7 | R279 C280 K281 L285 | R279-M283 VanDerWaalsContact O-SD 3.37Å; C280-M283 PolarHBondContact O-N 2.79Å; C280-M283 VanDerWaalsContact O-N 3.1Å; K281-M283 VanDerWaalsContact C-N 3.26Å; K281-M283 PolarHBondContact O-N 3Å; M283-L285 PolarHBondContact O-N 2.92Å |
| 284 | R | 76.8 | Confident | 74.1 | Confident | 259 Ų | 259 | 79 Ų | 79 | 98% | 0.977 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -72 | -6.5 | 171.7 | -64.9 | -177.1 | 70.3 | 176.7 | 1.6 | 113.6 | ||
| 285 | L | 73.1 | Confident | 72.2 | Confident | 130 Ų | 130 | 83.8 Ų | 83.8 | 68% | 0.681 | 42% | 0.423 | S | S | * | . | trans | -86.6 | 124 | 179.5 | -62.5 | 173.4 | 0 | 0 | 0 | 110.9 | C280 M283 | C280-L285 WeakPolarHBondContact CB-O 3.45Å; M283-L285 PolarHBondContact O-N 2.92Å | ||
| 286 | S | 71.3 | Confident | 70.3 | Confident | 57 Ų | 57 | 84.9 Ų | 84.9 | 40% | 0.399 | 43% | 0.428 | S | S | . | . | trans | -82.9 | 141.9 | 174 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | D288 | S286-D288 VanDerWaalsContact C-N 3.33Š| ||
| 287 | C | 74.4 | Confident | 67.7 | Low | 2 Ų | 2 | 94.2 Ų | 94.2 | 1% | 0.014 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -82.4 | -14.1 | 166.9 | -73.6 | 0 | 0 | 0 | 0 | 112.7 | Y228 C277 C280 A289 T290 | Y228-C287 VanDerWaalsContact OH-CB 3.22Å; Y228-C287 WeakPolarHBondContact OH-CB 3.44Å; C277-C287 VanDerWaalsContact SG-SG 3.63Å; C280-C287 PolarHBondContact SG-SG 3.03Å; C287-A289 VanDerWaalsContact C-N 3.3Å; C287-A289 PolarHBondContact O-N 3Å; C287-T290 WeakPolarHBondContact O-CB 3.41Å; C287-T290 PolarHBondContact O-N 3.02Å; C287-T290 PolarHBondContact O-OG1 3.26Å |
| 288 | D | 66.8 | Low | 66.7 | Low | 76 Ų | 76 | 99 Ų | 99 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -36.3 | 179.3 | -45.5 | -47.2 | 0 | 0 | 0 | 111.1 | H272 K274 S286 T290 | H272-D288 VanDerWaalsContact CB-OD1 3.26Å; H272-D288 WeakPolarHBondContact CB-OD1 3.18Å; K274-D288 WeakPolarHBondContact CE-OD2 3.25Å; K274-D288 IonicContact NZ-OD2 2.67Å; K274-D288 PolarHBondContact NZ-OD2 3.19Å; S286-D288 VanDerWaalsContact C-N 3.33Å; D288-T290 VanDerWaalsContact C-N 3.27Å; D288-T290 PolarHBondContact O-N 3.27Å |
| 289 | A | 57.7 | Low | 65.5 | Low | 78 Ų | 78 | 101.1 Ų | 101.1 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 24.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | C287 Y291 | C287-A289 VanDerWaalsContact C-N 3.3Å; C287-A289 PolarHBondContact O-N 3Å; A289-Y291 PolarHBondContact O-N 3.46Å |
| 290 | T | 59.1 | Low | 64.3 | Low | 15 Ų | 15 | 101.2 Ų | 101.2 | 9% | 0.092 | 52% | 0.523 | C | S | . | . | trans | -72.9 | 77.7 | 171.4 | -49.9 | 0 | 0 | 0 | 0 | 109.3 | L196 W218 R279 C287 D288 | L196-T290 HydrophobicContact CD1-CG2 3.91Å; W218-T290 WeakPolarHBondContact CH2-O 3.34Å; R279-T290 VanDerWaalsContact NH1-CG2 3.26Å; R279-T290 PolarHBondContact NH1-OG1 2.92Å; C287-T290 WeakPolarHBondContact O-CB 3.41Å; C287-T290 PolarHBondContact O-N 3.02Å; C287-T290 PolarHBondContact O-OG1 3.26Å; D288-T290 VanDerWaalsContact C-N 3.27Å; D288-T290 PolarHBondContact O-N 3.27Å | ||
| 291 | Y | 51.9 | Low | 63.1 | Low | 182 Ų | 182 | 106.6 Ų | 106.6 | 71% | 0.714 | 55% | 0.55 | S | S | * | * | trans | -57.7 | 141.2 | 164.5 | -135.4 | -80.7 | 0 | 0 | 0 | 108.2 | A289 F293 | A289-Y291 PolarHBondContact O-N 3.46Å; Y291-F293 AromaticContact CD1-CD2 3.84Å; Y291-F293 HydrophobicContact CD1-CD2 3.84Å; Y291-F293 AromaticContact CD1-CE2 3.38Å; Y291-F293 HydrophobicContact CD1-CE2 3.38Å; Y291-F293 HydrophobicContact CD1-CZ 4.19Å; Y291-F293 AromaticContact CE1-CE2 3.77Å; Y291-F293 HydrophobicContact CE1-CE2 3.77Å; Y291-F293 HydrophobicContact CE1-CZ 4.25Å; Y291-F293 HydrophobicContact CG-CE2 4.43Å; Y291-F293 PolarHBondContact O-N 3.19Å | ||
| 292 | S | 54 | Low | 61.6 | Low | 30 Ų | 30 | 107.4 Ų | 107.4 | 21% | 0.21 | 56% | 0.559 | C | S | . | * | S | Bend | trans | -70.3 | 8.9 | -154.7 | 49.9 | 0 | 0 | 0 | 0 | 116.2 | F195 K294 | F195-S292 WeakPolarHBondContact CA-O 3.24Å; F195-S292 WeakPolarHBondContact CD1-OG 3.24Å; S292-K294 PolarHBondContact O-N 3.35Å |
| 293 | F | 47.8 | Very low | 60.1 | Low | 109 Ų | 109 | 108.6 Ų | 108.6 | 48% | 0.478 | 54% | 0.535 | S | S | . | . | trans | -90.4 | 89.9 | 179.5 | -48.7 | -66.8 | 0 | 0 | 0 | 111.1 | F195 Y291 Y295 | F195-F293 HydrophobicContact CE1-CD1 4.16Å; F195-F293 AromaticContact CE1-CE1 3.83Å; F195-F293 HydrophobicContact CE1-CE1 3.83Å; Y291-F293 AromaticContact CD1-CD2 3.84Å; Y291-F293 HydrophobicContact CD1-CD2 3.84Å; Y291-F293 AromaticContact CD1-CE2 3.38Å; Y291-F293 HydrophobicContact CD1-CE2 3.38Å; Y291-F293 HydrophobicContact CD1-CZ 4.19Å; Y291-F293 AromaticContact CE1-CE2 3.77Å; Y291-F293 HydrophobicContact CE1-CE2 3.77Å; Y291-F293 HydrophobicContact CE1-CZ 4.25Å; Y291-F293 HydrophobicContact CG-CE2 4.43Å; Y291-F293 PolarHBondContact O-N 3.19Å; F293-Y295 PolarHBondContact O-N 3.08Å | ||
| 294 | K | 54.5 | Low | 58.5 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 38% | 0.383 | 53% | 0.532 | S | S | . | . | trans | -78.5 | 112.8 | 150.9 | -178.5 | 176.5 | -173.3 | 161.9 | 0 | 107.7 | Y227 S292 I296 | Y227-K294 HydrophobicContact CE2-CD 3.52Å; Y227-K294 WeakPolarHBondContact OH-CD 3.32Å; Y227-K294 WeakPolarHBondContact OH-CE 3.38Å; Y227-K294 PolarHBondContact OH-NZ 3.41Å; Y227-K294 VanDerWaalsContact OH-NZ 3.09Å; S292-K294 PolarHBondContact O-N 3.35Å; K294-I296 HydrophobicContact CD-CG1 3.93Å; K294-I296 HydrophobicContact CG-CG1 4.02Å; K294-I296 PolarHBondContact O-N 3.32Å | ||
| 295 | Y | 47.4 | Very low | 57.1 | Low | 193 Ų | 193 | 96.5 Ų | 96.5 | 76% | 0.757 | 50% | 0.498 | S | S | * | . | trans | -62 | 106.8 | 157 | -64.4 | -84 | 0 | 0 | 0 | 107.9 | F293 | F293-Y295 PolarHBondContact O-N 3.08Š| ||
| 296 | I | 46.4 | Very low | 55.7 | Low | 93 Ų | 93 | 93.7 Ų | 93.7 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | trans | -91.7 | 110.5 | 158.3 | -57.2 | 177.3 | 0 | 0 | 0 | 103.8 | Q194 K294 | Q194-I296 HydrophobicContact CB-CD1 3.99Å; Q194-I296 HydrophobicContact CG-CD1 4.08Å; K294-I296 HydrophobicContact CD-CG1 3.93Å; K294-I296 HydrophobicContact CG-CG1 4.02Å; K294-I296 PolarHBondContact O-N 3.32Å | ||
| 297 | V | 37.3 | Very low | 54.3 | Low | 201 Ų | 201 | 97 Ų | 97 | 100% | 1.218 | 49% | 0.49 | S | S | * | . | trans | -79.4 | 0 | 167.7 | -173 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 297 of 297 residues in 86.4 ms
(Link to these results)