| 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 | 35.9 | Very low | 52.4 | Low | 238 Ų | 238 | 157.5 Ų | 157.5 | 100% | 1.172 | 85% | 0.853 | S | S | * | * | 0 | 94.1 | 0 | -67.9 | -61.8 | 169.4 | 0 | 0 | 109.3 | |||||
| 2 | P | 41.4 | Very low | 52.9 | Low | 120 Ų | 120 | 158 Ų | 158 | 78% | 0.779 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 118.3 | 168.5 | 19.8 | -1.6 | 0 | 0 | 0 | 110.6 | I4 | P2-I4 PolarHBondContact O-N 3.43Š|
| 3 | S | 43.6 | Very low | 52.5 | Low | 126 Ų | 126 | 157.9 Ų | 157.9 | 88% | 0.881 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120.4 | 171.9 | -66.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 4 | I | 52.2 | Low | 52.9 | Low | 171 Ų | 171 | 159.8 Ų | 159.8 | 88% | 0.877 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 118 | 174.9 | -64.8 | 174.2 | 0 | 0 | 0 | 108.8 | P2 | P2-I4 PolarHBondContact O-N 3.43Š|
| 5 | L | 56 | Low | 53.3 | Low | 156 Ų | 156 | 156.7 Ų | 156.7 | 82% | 0.817 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.2 | -175 | -152.9 | 72.6 | 0 | 0 | 0 | 111.4 | I7 | L5-I7 PolarHBondContact O-N 3.33Š|
| 6 | A | 55.4 | Low | 53.9 | Low | 98 Ų | 98 | 154.1 Ų | 154.1 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 117.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K8 | A6-K8 PolarHBondContact O-N 3.38Š|
| 7 | I | 59.5 | Low | 54 | Low | 166 Ų | 166 | 155.9 Ų | 155.9 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -78.6 | 109.4 | 177.4 | -60.8 | 170.8 | 0 | 0 | 0 | 108.8 | L5 K9 | L5-I7 PolarHBondContact O-N 3.33Å; I7-K9 PolarHBondContact O-N 3.33Å | ||
| 8 | K | 56.3 | Low | 53.7 | Low | 194 Ų | 194 | 156.1 Ų | 156.1 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -63.9 | 118.4 | 171 | -95.4 | 174.8 | 172.3 | 175.5 | 0 | 109.9 | A6 V10 | A6-K8 PolarHBondContact O-N 3.38Å; K8-V10 PolarHBondContact O-N 3.03Å | ||
| 9 | K | 61.6 | Low | 54 | Low | 209 Ų | 209 | 151.8 Ų | 151.8 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -68.6 | 106.4 | 174.4 | -160.3 | 164.2 | -174.4 | 173.2 | 0 | 109 | I7 N11 | I7-K9 PolarHBondContact O-N 3.33Å; K9-N11 PolarHBondContact O-N 3.17Å | ||
| 10 | V | 61.2 | Low | 54.2 | Low | 117 Ų | 117 | 149.6 Ų | 149.6 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | trans | -64.9 | 127.4 | 173.9 | 165.5 | 0 | 0 | 0 | 0 | 108.9 | K8 Q12 | K8-V10 PolarHBondContact O-N 3.03Å; V10-Q12 PolarHBondContact O-N 3.13Å; V10-Q12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | N | 53.7 | Low | 54.2 | Low | 137 Ų | 137 | 150.4 Ų | 150.4 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -65.6 | 104.1 | 178.3 | -168.8 | 2 | 0 | 0 | 0 | 109 | K9 L13 | K9-N11 PolarHBondContact O-N 3.17Å; N11-L13 PolarHBondContact O-N 3.45Å | ||
| 12 | Q | 57.9 | Low | 54.6 | Low | 164 Ų | 164 | 142.3 Ų | 142.3 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -68.1 | 100 | 177.6 | -72.9 | -76.9 | 70.5 | 0 | 0 | 108.8 | V10 Q14 | V10-Q12 PolarHBondContact O-N 3.13Å; V10-Q12 VanDerWaalsContact O-N 3.13Å; Q12-Q14 PolarHBondContact O-N 3.19Å | ||
| 13 | L | 47.8 | Very low | 55.1 | Low | 157 Ų | 157 | 144.4 Ų | 144.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58 | 116.5 | 170.5 | -66.9 | 171.2 | 0 | 0 | 0 | 108.7 | N11 | N11-L13 PolarHBondContact O-N 3.45Š|
| 14 | Q | 58.8 | Low | 55.4 | Low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 132.6 | 174.6 | -70.6 | -168.9 | -15.7 | 0 | 0 | 109.8 | Q12 | Q12-Q14 PolarHBondContact O-N 3.19Š|
| 15 | P | 57.8 | Low | 55.1 | Low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 144.1 | 175 | 27.5 | -32.8 | 0 | 0 | 0 | 110.5 | F17 | P15-F17 PolarHBondContact O-N 3.37Š|
| 16 | P | 64.1 | Low | 54.7 | Low | 114 Ų | 114 | 138.3 Ų | 138.3 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63 | 130.8 | -177.2 | 25.4 | -33.3 | 0 | 0 | 0 | 111.3 | L18 | P16-L18 PolarHBondContact O-N 3.06Š|
| 17 | F | 55.3 | Low | 54.4 | Low | 186 Ų | 186 | 139 Ų | 139 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | -55.5 | 102.7 | 177.1 | -176.7 | -97.4 | 0 | 0 | 0 | 110.7 | P15 A19 | P15-F17 PolarHBondContact O-N 3.37Å; F17-A19 PolarHBondContact O-N 3.26Å | ||
| 18 | L | 49 | Very low | 53.6 | Low | 159 Ų | 159 | 139.2 Ų | 139.2 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -69.1 | 115.4 | 167.1 | -99.3 | 95.3 | 0 | 0 | 0 | 108.4 | P16 | P16-L18 PolarHBondContact O-N 3.06Š| ||
| 19 | A | 58.9 | Low | 53.1 | Low | 74 Ų | 74 | 134.1 Ų | 134.1 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | trans | -57.2 | 136.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F17 M21 | F17-A19 PolarHBondContact O-N 3.26Å; A19-M21 PolarHBondContact O-N 3.09Å | ||
| 20 | P | 58.8 | Low | 52.1 | Low | 107 Ų | 107 | 131.1 Ų | 131.1 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | trans | -68.1 | 106.5 | 179.9 | 26.8 | -32.7 | 0 | 0 | 0 | 109.7 | G22 | P20-G22 PolarHBondContact O-N 3.02Å; P20-G22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | M | 52.2 | Low | 51.1 | Low | 167 Ų | 167 | 132.8 Ų | 132.8 | 82% | 0.823 | 73% | 0.73 | S | S | * | * | trans | -54.7 | 114.5 | 167.4 | -77.8 | -77.5 | -70.7 | 0 | 0 | 108.7 | A19 H23 | A19-M21 PolarHBondContact O-N 3.09Å; M21-H23 PolarHBondContact O-CE1 3.36Å; M21-H23 PolarHBondContact O-N 2.89Å; M21-H23 PolarHBondContact O-ND1 3.2Å | ||
| 22 | G | 46.2 | Very low | 50.8 | Low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | -46 | 121.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.4 | P20 P24 | P20-G22 PolarHBondContact O-N 3.02Å; P20-G22 VanDerWaalsContact O-N 3.09Å; G22-P24 WeakPolarHBondContact O-CD 3.18Å | ||
| 23 | H | 50.8 | Low | 50.3 | Low | 163 Ų | 163 | 128 Ų | 128 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -76 | 111.3 | 173.4 | -49.1 | -12.4 | 0 | 0 | 0 | 105.3 | M21 S25 | M21-H23 PolarHBondContact O-CE1 3.36Å; M21-H23 PolarHBondContact O-N 2.89Å; M21-H23 PolarHBondContact O-ND1 3.2Å; H23-S25 PolarHBondContact O-N 3.07Å; H23-S25 VanDerWaalsContact O-N 3.07Å | ||
| 24 | P | 49.8 | Very low | 50.2 | Low | 116 Ų | 116 | 123.3 Ų | 123.3 | 75% | 0.753 | 69% | 0.686 | S | S | * | * | trans | -59.8 | 122.8 | 171.5 | 25.7 | -32 | 0 | 0 | 0 | 106.8 | G22 S26 | G22-P24 WeakPolarHBondContact O-CD 3.18Å; P24-S26 PolarHBondContact O-N 2.73Å | ||
| 25 | S | 46.4 | Very low | 49.7 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 71% | 0.713 | 67% | 0.673 | S | S | * | * | trans | -56.2 | 83.5 | 175.8 | 30.8 | 0 | 0 | 0 | 0 | 110 | H23 I27 | H23-S25 PolarHBondContact O-N 3.07Å; H23-S25 VanDerWaalsContact O-N 3.07Å; S25-I27 PolarHBondContact O-N 3.41Å | ||
| 26 | S | 46.6 | Very low | 49.3 | Very low | 108 Ų | 108 | 118.7 Ų | 118.7 | 76% | 0.755 | 65% | 0.652 | S | S | * | * | trans | -74.9 | 56.6 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | P24 | P24-S26 PolarHBondContact O-N 2.73Š| ||
| 27 | I | 50.4 | Low | 48.8 | Very low | 113 Ų | 113 | 116.3 Ų | 116.3 | 58% | 0.579 | 63% | 0.632 | S | S | * | * | trans | -91.7 | -11.1 | 179.7 | -63.9 | 176.8 | 0 | 0 | 0 | 111.2 | S25 S29 | S25-I27 PolarHBondContact O-N 3.41Å; I27-S29 PolarHBondContact O-N 3.22Å | ||
| 28 | H | 41.9 | Very low | 48.4 | Very low | 169 Ų | 169 | 110.3 Ų | 110.3 | 78% | 0.782 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -0.5 | -172.9 | -73.3 | 12.8 | 0 | 0 | 0 | 116 | ||
| 29 | S | 45.9 | Very low | 48.4 | Very low | 88 Ų | 88 | 105.9 Ų | 105.9 | 62% | 0.615 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -8.4 | 179.2 | -166.4 | 0 | 0 | 0 | 0 | 114.5 | I27 | I27-S29 PolarHBondContact O-N 3.22Š|
| 30 | F | 41.4 | Very low | 47.8 | Very low | 146 Ų | 146 | 104 Ų | 104 | 64% | 0.64 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -86.3 | -18.4 | -171.6 | -147.5 | -97.3 | 0 | 0 | 0 | 114 | S34 | F30-S34 PolarHBondContact O-OG 3.12Š|
| 31 | Y | 39.5 | Very low | 47.2 | Very low | 152 Ų | 152 | 102.2 Ų | 102.2 | 60% | 0.596 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -92.9 | -13.7 | -165.2 | -75.8 | -80.5 | 0 | 0 | 0 | 116.2 | ||
| 32 | L | 46.9 | Very low | 46.9 | Very low | 146 Ų | 146 | 96.9 Ų | 96.9 | 76% | 0.764 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -81.5 | -17.6 | -173.5 | -73.4 | 169.1 | 0 | 0 | 0 | 114.5 | ||
| 33 | Y | 47.6 | Very low | 47 | Very low | 53 Ų | 53 | 96.5 Ų | 96.5 | 21% | 0.208 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -107.4 | -27.4 | -177.2 | -162.4 | -103.6 | 0 | 0 | 0 | 114.1 | Y36 M37 L163 | Y33-Y36 HydrophobicContact CD2-CD1 4.37Å; Y33-Y36 HydrophobicContact CE2-CD1 4.12Å; Y33-Y36 PolarHBondContact O-N 2.83Å; Y33-M37 HydrophobicContact CD1-CG 3.7Å; Y33-M37 HydrophobicContact CE1-CE 3.95Å; Y33-M37 HydrophobicContact CE1-CG 3.32Å; Y33-M37 HydrophobicContact CE1-SD 3.69Å; Y33-M37 HydrophobicContact CE2-CE 3.82Å; Y33-M37 HydrophobicContact CG-CG 4.46Å; Y33-M37 WeakPolarHBondContact O-CG 3.23Å; Y33-M37 PolarHBondContact O-N 3.44Å; Y33-M37 WeakPolarHBondContact OH-CE 3.21Å; Y33-M37 PolarHBondContact OH-SD 3.08Å; Y33-M37 VanDerWaalsContact OH-SD 3.42Å; Y33-L163 WeakPolarHBondContact OH-CD1 3.39Å |
| 34 | S | 46.4 | Very low | 46.8 | Very low | 60 Ų | 60 | 93 Ų | 93 | 42% | 0.42 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 170.6 | 22.3 | 0 | 0 | 0 | 0 | 110.9 | F30 M37 A38 | F30-S34 PolarHBondContact O-OG 3.12Å; S34-M37 PolarHBondContact O-N 3.02Å; S34-A38 VanDerWaalsContact O-CB 3.26Å; S34-A38 WeakPolarHBondContact O-CB 3.49Å; S34-A38 PolarHBondContact O-N 3.42Å |
| 35 | E | 48.6 | Very low | 46.6 | Very low | 125 Ų | 125 | 93.4 Ų | 93.4 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62 | -41 | 171.9 | -74.2 | -72.2 | 141.6 | 0 | 0 | 111.4 | A38 T39 | E35-A38 PolarHBondContact O-N 2.94Å; E35-T39 VanDerWaalsContact O-CB 3.31Å; E35-T39 WeakPolarHBondContact O-CB 3.42Å; E35-T39 WeakPolarHBondContact O-CG2 3.11Å; E35-T39 PolarHBondContact O-N 3.37Å; E35-T39 PolarHBondContact O-OG1 3.41Å |
| 36 | Y | 49.6 | Very low | 46.1 | Very low | 76 Ų | 76 | 92.4 Ų | 92.4 | 30% | 0.298 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.5 | -34.7 | -179.5 | -167.8 | -105.2 | 0 | 0 | 0 | 113.6 | Y33 T39 A40 Q160 R164 | Y33-Y36 HydrophobicContact CD2-CD1 4.37Å; Y33-Y36 HydrophobicContact CE2-CD1 4.12Å; Y33-Y36 PolarHBondContact O-N 2.83Å; Y36-T39 WeakPolarHBondContact CA-OG1 3.34Å; Y36-T39 PolarHBondContact O-OG1 3.25Å; Y36-A40 WeakPolarHBondContact O-CB 3.48Å; Y36-A40 PolarHBondContact O-N 3.04Å; Y36-Q160 PolarHBondContact OH-OE1 2.95Å; Y36-R164 PolarHBondContact OH-NH2 3.39Å |
| 37 | M | 51.7 | Low | 45.5 | Very low | 64 Ų | 64 | 92.9 Ų | 92.9 | 32% | 0.315 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.4 | -34.1 | 172.9 | -69.4 | -72.4 | 100.6 | 0 | 0 | 112 | Y33 S34 A41 | Y33-M37 HydrophobicContact CD1-CG 3.7Å; Y33-M37 HydrophobicContact CE1-CE 3.95Å; Y33-M37 HydrophobicContact CE1-CG 3.32Å; Y33-M37 HydrophobicContact CE1-SD 3.69Å; Y33-M37 HydrophobicContact CE2-CE 3.82Å; Y33-M37 HydrophobicContact CG-CG 4.46Å; Y33-M37 WeakPolarHBondContact O-CG 3.23Å; Y33-M37 PolarHBondContact O-N 3.44Å; Y33-M37 WeakPolarHBondContact OH-CE 3.21Å; Y33-M37 PolarHBondContact OH-SD 3.08Å; Y33-M37 VanDerWaalsContact OH-SD 3.42Å; S34-M37 PolarHBondContact O-N 3.02Å; M37-A41 PolarHBondContact O-N 3.46Å |
| 38 | A | 47.8 | Very low | 44.8 | Very low | 60 Ų | 60 | 92.6 Ų | 92.6 | 50% | 0.496 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.3 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | S34 E35 A41 A42 | S34-A38 VanDerWaalsContact O-CB 3.26Å; S34-A38 WeakPolarHBondContact O-CB 3.49Å; S34-A38 PolarHBondContact O-N 3.42Å; E35-A38 PolarHBondContact O-N 2.94Å; A38-A41 WeakPolarHBondContact O-CB 3.12Å; A38-A41 PolarHBondContact O-N 2.87Å; A38-A42 PolarHBondContact O-N 2.92Å |
| 39 | T | 48.4 | Very low | 44.3 | Very low | 66 Ų | 66 | 89.7 Ų | 89.7 | 41% | 0.405 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -73 | -33 | 177.8 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | E35 Y36 A41 A42 A43 | E35-T39 VanDerWaalsContact O-CB 3.31Å; E35-T39 WeakPolarHBondContact O-CB 3.42Å; E35-T39 WeakPolarHBondContact O-CG2 3.11Å; E35-T39 PolarHBondContact O-N 3.37Å; E35-T39 PolarHBondContact O-OG1 3.41Å; Y36-T39 WeakPolarHBondContact CA-OG1 3.34Å; Y36-T39 PolarHBondContact O-OG1 3.25Å; T39-A41 PolarHBondContact O-N 3.31Å; T39-A42 CarbonylContact O-C 3.59Å; T39-A42 PolarHBondContact O-N 3.29Å; T39-A43 WeakPolarHBondContact O-CB 3.25Å; T39-A43 PolarHBondContact O-N 3.25Å |
| 40 | A | 48 | Very low | 43.8 | Very low | 35 Ų | 35 | 90.7 Ų | 90.7 | 29% | 0.289 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.4 | -29.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y36 | Y36-A40 WeakPolarHBondContact O-CB 3.48Å; Y36-A40 PolarHBondContact O-N 3.04Å |
| 41 | A | 46.1 | Very low | 43.4 | Very low | 68 Ų | 68 | 89.1 Ų | 89.1 | 56% | 0.562 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74 | -35.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M37 A38 T39 | M37-A41 PolarHBondContact O-N 3.46Å; A38-A41 WeakPolarHBondContact O-CB 3.12Å; A38-A41 PolarHBondContact O-N 2.87Å; T39-A41 PolarHBondContact O-N 3.31Å |
| 42 | A | 45.1 | Very low | 43.3 | Very low | 55 Ų | 55 | 87.5 Ų | 87.5 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -79.6 | -32.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A38 T39 A44 T45 S46 | A38-A42 PolarHBondContact O-N 2.92Å; T39-A42 CarbonylContact O-C 3.59Å; T39-A42 PolarHBondContact O-N 3.29Å; A42-A44 VanDerWaalsContact C-N 3.29Å; A42-A44 PolarHBondContact O-N 2.74Å; A42-T45 PolarHBondContact O-N 3.43Å; A42-T45 VanDerWaalsContact O-N 3.15Å; A42-T45 PolarHBondContact O-OG1 3.14Å; A42-T45 VanDerWaalsContact O-OG1 3.05Å; A42-S46 PolarHBondContact O-OG 3.34Å; A42-S46 VanDerWaalsContact O-OG 3.1Å |
| 43 | A | 47.5 | Very low | 43 | Very low | 62 Ų | 62 | 85.8 Ų | 85.8 | 51% | 0.512 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.7 | -26.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T39 T45 S46 | T39-A43 WeakPolarHBondContact O-CB 3.25Å; T39-A43 PolarHBondContact O-N 3.25Å; A43-T45 PolarHBondContact O-N 2.97Å; A43-S46 PolarHBondContact O-N 3.38Å; A43-S46 VanDerWaalsContact O-N 3.11Å |
| 44 | A | 48.1 | Very low | 42.4 | Very low | 89 Ų | 89 | 91.1 Ų | 91.1 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -13.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A42 | A42-A44 VanDerWaalsContact C-N 3.29Å; A42-A44 PolarHBondContact O-N 2.74Å |
| 45 | T | 44.6 | Very low | 42.1 | Very low | 125 Ų | 125 | 92.7 Ų | 92.7 | 77% | 0.767 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 2.2 | 172.7 | 13.4 | 0 | 0 | 0 | 0 | 114.1 | A42 A43 | A42-T45 PolarHBondContact O-N 3.43Å; A42-T45 VanDerWaalsContact O-N 3.15Å; A42-T45 PolarHBondContact O-OG1 3.14Å; A42-T45 VanDerWaalsContact O-OG1 3.05Å; A43-T45 PolarHBondContact O-N 2.97Å |
| 46 | S | 36.5 | Very low | 41.8 | Very low | 80 Ų | 80 | 95.3 Ų | 95.3 | 56% | 0.559 | 64% | 0.636 | S | S | * | * | trans | -139 | 81.6 | -177.7 | 43.5 | 0 | 0 | 0 | 0 | 112.4 | A42 A43 S48 | A42-S46 PolarHBondContact O-OG 3.34Å; A42-S46 VanDerWaalsContact O-OG 3.1Å; A43-S46 PolarHBondContact O-N 3.38Å; A43-S46 VanDerWaalsContact O-N 3.11Å; S46-S48 PolarHBondContact O-N 3.1Å | ||
| 47 | S | 33.6 | Very low | 41.5 | Very low | 118 Ų | 118 | 97.3 Ų | 97.3 | 83% | 0.825 | 66% | 0.658 | S | S | * | * | trans | -68.5 | 110.7 | 161.3 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 48 | S | 36.1 | Very low | 40.7 | Very low | 108 Ų | 108 | 102.9 Ų | 102.9 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | 179.7 | 118.2 | 144.8 | 34.2 | 0 | 0 | 0 | 0 | 114.6 | S46 | S46-S48 PolarHBondContact O-N 3.1Š| ||
| 49 | S | 32.1 | Very low | 39.9 | Very low | 107 Ų | 107 | 105.1 Ų | 105.1 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | trans | 62.1 | 133.4 | 136.7 | 60 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 50 | S | 34.2 | Very low | 39.3 | Very low | 110 Ų | 110 | 110 Ų | 110 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | 73.2 | 109.4 | 145.4 | 57.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 51 | S | 33.6 | Very low | 38.8 | Very low | 112 Ų | 112 | 114.5 Ų | 114.5 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | 74.3 | 110.6 | 70.9 | 178.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 52 | S | 37.8 | Very low | 38.4 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -175.5 | 141.9 | 131.3 | -77.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 53 | S | 39 | Very low | 37.8 | Very low | 110 Ų | 110 | 118.5 Ų | 118.5 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -65.9 | 151.9 | -174 | -39.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 54 | D | 35.7 | Very low | 37.2 | Very low | 164 Ų | 164 | 122.7 Ų | 122.7 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -159.4 | 150.2 | 135.2 | -123.5 | -36.9 | 0 | 0 | 0 | 114.8 | ||||
| 55 | S | 40.3 | Very low | 36.5 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -97.7 | 141.5 | -158.2 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 56 | L | 41.4 | Very low | 36 | Very low | 180 Ų | 180 | 125 Ų | 125 | 94% | 0.942 | 78% | 0.781 | S | S | * | * | trans | -137.6 | 112.3 | 157.7 | -71.8 | 179.3 | 0 | 0 | 0 | 111.2 | ||||
| 57 | P | 44 | Very low | 36.4 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -93.9 | 130.6 | 169.2 | 34.2 | -25.6 | 0 | 0 | 0 | 110.2 | ||||
| 58 | F | 34.3 | Very low | 36.6 | Very low | 182 Ų | 182 | 126.1 Ų | 126.1 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -165 | 108.5 | 144.4 | -160.9 | -110.8 | 0 | 0 | 0 | 110 | M60 | F58-M60 HydrophobicContact CD1-CB 4.37Å; F58-M60 HydrophobicContact CE1-CB 3.89Å; F58-M60 HydrophobicContact CE1-CG 4.47Å; F58-M60 HydrophobicContact CE1-SD 4.11Å; F58-M60 HydrophobicContact CZ-SD 4.4Å | ||
| 59 | S | 31.5 | Very low | 36.6 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -79.9 | 137 | 164 | 73.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 60 | M | 35.6 | Very low | 36.9 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | trans | -148.7 | 126.3 | 151.2 | -152.3 | 169.3 | -177.7 | 0 | 0 | 111.2 | F58 | F58-M60 HydrophobicContact CD1-CB 4.37Å; F58-M60 HydrophobicContact CE1-CB 3.89Å; F58-M60 HydrophobicContact CE1-CG 4.47Å; F58-M60 HydrophobicContact CE1-SD 4.11Å; F58-M60 HydrophobicContact CZ-SD 4.4Å | ||
| 61 | V | 38.1 | Very low | 36.8 | Very low | 129 Ų | 129 | 127 Ų | 127 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -69.6 | 142.9 | 179.4 | 160.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 62 | C | 36.6 | Very low | 36.6 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 92% | 0.919 | 80% | 0.796 | S | S | * | * | trans | 174.2 | 130.2 | 145.2 | -99.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 63 | G | 33.8 | Very low | 36.2 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | 178.8 | 135.4 | 3.1 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 64 | D | 35.3 | Very low | 36.2 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -67.3 | 123 | -177.9 | -158.5 | -103.3 | 0 | 0 | 0 | 109.6 | ||||
| 65 | E | 32.9 | Very low | 36.4 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -150.1 | 98.7 | 158.2 | -100.7 | -63.9 | 116.2 | 0 | 0 | 107.3 | P67 | E65-P67 WeakPolarHBondContact O-CD 3.5Š| ||
| 66 | A | 34.4 | Very low | 36.4 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | trans | -95.7 | 113.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 67 | P | 45 | Very low | 36.3 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -82.5 | 129.7 | 167.9 | 30.1 | -30 | 0 | 0 | 0 | 110.8 | E65 A69 | E65-P67 WeakPolarHBondContact O-CD 3.5Å; P67-A69 PolarHBondContact O-N 3.19Å | ||
| 68 | A | 37.1 | Very low | 36 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -48.6 | 126.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | V70 | A68-V70 PolarHBondContact O-N 2.67Š| ||
| 69 | A | 36.3 | Very low | 36.1 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -69.9 | 113.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | P67 S71 | P67-A69 PolarHBondContact O-N 3.19Å; A69-S71 PolarHBondContact O-N 3.01Å | ||
| 70 | V | 38.4 | Very low | 36.4 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -68.9 | 110.3 | 165.1 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | A68 W72 | A68-V70 PolarHBondContact O-N 2.67Å; V70-W72 PolarHBondContact O-N 3.06Å | ||
| 71 | S | 31.1 | Very low | 36.5 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -70.3 | 109.9 | 179.7 | 64.5 | 0 | 0 | 0 | 0 | 110.6 | A69 | A69-S71 PolarHBondContact O-N 3.01Š| ||
| 72 | W | 30.4 | Very low | 36.3 | Very low | 200 Ų | 200 | 126.7 Ų | 126.7 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | -88.9 | 114.6 | 162.6 | 45.8 | -80.5 | 0 | 0 | 0 | 108.2 | V70 A74 | V70-W72 PolarHBondContact O-N 3.06Å; W72-A74 HydrophobicContact CE3-CB 3.92Å; W72-A74 HydrophobicContact CZ3-CB 3.79Å; W72-A74 PolarHBondContact O-N 3.38Å | ||
| 73 | R | 28.3 | Very low | 36.1 | Very low | 249 Ų | 249 | 124.6 Ų | 124.6 | 94% | 0.94 | 78% | 0.775 | S | S | * | * | trans | -73.6 | 100.1 | 176.6 | -167.3 | 167.6 | -169.5 | 139.9 | 0.7 | 108.4 | ||||
| 74 | A | 40.1 | Very low | 36.3 | Very low | 49 Ų | 49 | 128 Ų | 128 | 41% | 0.405 | 78% | 0.781 | S | S | . | * | trans | -88.6 | 114.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | W72 | W72-A74 HydrophobicContact CE3-CB 3.92Å; W72-A74 HydrophobicContact CZ3-CB 3.79Å; W72-A74 PolarHBondContact O-N 3.38Å | ||
| 75 | A | 40.1 | Very low | 36.4 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -62 | 137.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 76 | D | 39.2 | Very low | 36.4 | Very low | 143 Ų | 143 | 121.6 Ų | 121.6 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -65.3 | 132.1 | -177 | -51.3 | -73.9 | 0 | 0 | 0 | 111.2 | E78 | D76-E78 WeakPolarHBondContact CB-OE1 3.44Š| ||
| 77 | A | 39.8 | Very low | 36.4 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -142.2 | 79.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | V79 | A77-V79 PolarHBondContact O-N 3.5Š| ||
| 78 | E | 37 | Very low | 35.7 | Very low | 164 Ų | 164 | 119 Ų | 119 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -63.2 | 104.6 | 172 | 34.9 | -122.7 | 97 | 0 | 0 | 112 | D76 | D76-E78 WeakPolarHBondContact CB-OE1 3.44Š| ||
| 79 | V | 36.4 | Very low | 35.7 | Very low | 132 Ų | 132 | 123 Ų | 123 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -125.4 | 93.6 | 155.5 | 171.6 | 0 | 0 | 0 | 0 | 107.4 | A77 V81 | A77-V79 PolarHBondContact O-N 3.5Å; V79-V81 HydrophobicContact CG1-CG2 4.46Å; V79-V81 PolarHBondContact O-N 2.91Å | ||
| 80 | S | 38.7 | Very low | 36 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -80.9 | 99.3 | 178.3 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 81 | V | 36.7 | Very low | 36.2 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -94.2 | 115.5 | 161 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | V79 A83 | V79-V81 HydrophobicContact CG1-CG2 4.46Å; V79-V81 PolarHBondContact O-N 2.91Å; V81-A83 PolarHBondContact O-N 2.91Å | ||
| 82 | A | 34.1 | Very low | 37.2 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -49.3 | 100.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 83 | A | 34.3 | Very low | 38.2 | Very low | 91 Ų | 91 | 123.6 Ų | 123.6 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 134.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V81 | V81-A83 PolarHBondContact O-N 2.91Š|
| 84 | V | 36.4 | Very low | 39.2 | Very low | 141 Ų | 141 | 117.2 Ų | 117.2 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 122.2 | -179.3 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 85 | P | 38.7 | Very low | 40.2 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 122 | 178.7 | 32.9 | -29.2 | 0 | 0 | 0 | 108.9 | ||
| 86 | G | 31.3 | Very low | 41.6 | Very low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 151.5 | 75.2 | 170 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 87 | A | 34.6 | Very low | 43.8 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -167.2 | 85.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 88 | G | 29.9 | Very low | 46.4 | Very low | 67 Ų | 67 | 117.9 Ų | 117.9 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | 46 | 92.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | R90 | G88-R90 PolarHBondContact O-N 3.23Š| ||
| 89 | L | 39.1 | Very low | 48.9 | Very low | 183 Ų | 183 | 113.8 Ų | 113.8 | 96% | 0.958 | 72% | 0.724 | S | S | * | * | trans | 10.9 | 86 | 135.1 | -63.9 | 148 | 0 | 0 | 0 | 117.2 | ||||
| 90 | R | 41.3 | Very low | 51.6 | Low | 208 Ų | 208 | 108.8 Ų | 108.8 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -129.7 | 105.1 | 142.2 | -80 | -165.1 | 171.5 | -145.5 | 0.9 | 107.6 | G88 | G88-R90 PolarHBondContact O-N 3.23Š| ||
| 91 | Q | 43.3 | Very low | 54.2 | Low | 186 Ų | 186 | 104.1 Ų | 104.1 | 87% | 0.869 | 67% | 0.665 | S | S | * | * | trans | 22.9 | 99.1 | 160.1 | -60.1 | 172.9 | 19.5 | 0 | 0 | 113.3 | P93 | Q91-P93 WeakPolarHBondContact O-CD 3.3Š| ||
| 92 | A | 50.7 | Low | 56.9 | Low | 91 Ų | 91 | 103.6 Ų | 103.6 | 75% | 0.752 | 65% | 0.649 | S | S | * | * | trans | -44.8 | 117 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | S94 | A92-S94 PolarHBondContact O-N 3.21Š| ||
| 93 | P | 53.1 | Low | 59.7 | Low | 70 Ų | 70 | 105.7 Ų | 105.7 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | trans | -56.1 | 117.2 | -174.4 | 19.7 | -30.5 | 0 | 0 | 0 | 107.4 | Q91 K95 F98 | Q91-P93 WeakPolarHBondContact O-CD 3.3Å; P93-K95 PolarHBondContact O-N 3.23Å; P93-F98 HydrophobicContact CG-CD1 4.23Å; P93-F98 HydrophobicContact CG-CE1 3.58Å; P93-F98 HydrophobicContact CG-CZ 3.85Å | ||
| 94 | S | 49 | Very low | 62.4 | Low | 114 Ų | 114 | 109.6 Ų | 109.6 | 80% | 0.797 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -52.3 | 99.7 | -177.8 | 36.7 | 0 | 0 | 0 | 0 | 109.3 | A92 G96 | A92-S94 PolarHBondContact O-N 3.21Å; S94-G96 PolarHBondContact O-N 3.36Å |
| 95 | K | 60.8 | Low | 65.1 | Low | 221 Ų | 221 | 108.3 Ų | 108.3 | 96% | 0.961 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 55.4 | 16.4 | 165.9 | -57.9 | 176.1 | -179.2 | 179.4 | 0 | 116.4 | P93 | P93-K95 PolarHBondContact O-N 3.23Š|
| 96 | G | 69.3 | Low | 67.3 | Low | 43 Ų | 43 | 112.9 Ų | 112.9 | 44% | 0.443 | 63% | 0.626 | S | S | . | * | trans | -105.9 | 129.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S94 | S94-G96 PolarHBondContact O-N 3.36Š| ||
| 97 | A | 85.9 | Confident | 70.1 | Confident | 94 Ų | 94 | 110.7 Ų | 110.7 | 78% | 0.777 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 141.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 98 | F | 93.1 | Very high | 72.9 | Confident | 38 Ų | 38 | 111.3 Ų | 111.3 | 17% | 0.167 | 59% | 0.589 | C | S | . | * | P | Polyproline II helix | trans | -60.4 | 140 | 174.5 | -63.7 | -79.2 | 0 | 0 | 0 | 111.1 | P93 G100 V101 A131 E132 A135 N153 F154 | P93-F98 HydrophobicContact CG-CD1 4.23Å; P93-F98 HydrophobicContact CG-CE1 3.58Å; P93-F98 HydrophobicContact CG-CZ 3.85Å; F98-G100 PolarHBondContact O-N 3.07Å; F98-V101 HydrophobicContact CB-CB 4.05Å; F98-V101 HydrophobicContact CB-CG2 3.72Å; F98-V101 WeakPolarHBondContact O-CB 3.28Å; F98-V101 PolarHBondContact O-N 3.15Å; F98-V101 VanDerWaalsContact O-N 3.11Å; F98-A131 HydrophobicContact CD2-CB 3.84Å; F98-A131 HydrophobicContact CE2-CB 3.8Å; F98-E132 HydrophobicContact CE2-CG 4.39Å; F98-E132 HydrophobicContact CZ-CG 4.12Å; F98-A135 HydrophobicContact CB-CB 3.59Å; F98-A135 HydrophobicContact CD1-CB 3.78Å; F98-A135 HydrophobicContact CD2-CB 4.27Å; F98-A135 HydrophobicContact CG-CB 3.63Å; F98-N153 HydrophobicContact CD1-CB 4.16Å; F98-F154 HydrophobicContact CE1-CE1 4.3Å; F98-F154 HydrophobicContact CE1-CZ 4.11Å |
| 99 | I | 90.9 | Very high | 76 | Confident | 79 Ų | 79 | 110 Ų | 110 | 41% | 0.405 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57 | 132.7 | 176.8 | -56.2 | 168.6 | 0 | 0 | 0 | 109.1 | V101 Y138 N153 | I99-V101 PolarHBondContact O-N 3.4Å; I99-Y138 HydrophobicContact CB-CE1 4.18Å; I99-Y138 HydrophobicContact CG2-CD1 4.41Å; I99-Y138 HydrophobicContact CG2-CE1 3.57Å; I99-Y138 WeakPolarHBondContact O-CD1 3.21Å; I99-N153 VanDerWaalsContact CB-OD1 3.28Å; I99-N153 WeakPolarHBondContact CB-OD1 3.47Å; I99-N153 VanDerWaalsContact CG1-OD1 3.3Å; I99-N153 WeakPolarHBondContact CG1-OD1 3.22Å; I99-N153 PolarHBondContact N-OD1 3.25Å; I99-N153 PolarHBondContact O-ND2 3.38Å; I99-N153 VanDerWaalsContact O-ND2 3.12Å |
| 100 | G | 92 | Very high | 78.6 | Confident | 27 Ų | 27 | 102.1 Ų | 102.1 | 28% | 0.278 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -1.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F98 | F98-G100 PolarHBondContact O-N 3.07Š|
| 101 | V | 94 | Very high | 81.1 | Confident | 21 Ų | 21 | 92.2 Ų | 92.2 | 13% | 0.127 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.5 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | F98 I99 F109 A134 A135 | F98-V101 HydrophobicContact CB-CB 4.05Å; F98-V101 HydrophobicContact CB-CG2 3.72Å; F98-V101 WeakPolarHBondContact O-CB 3.28Å; F98-V101 PolarHBondContact O-N 3.15Å; F98-V101 VanDerWaalsContact O-N 3.11Å; I99-V101 PolarHBondContact O-N 3.4Å; V101-F109 HydrophobicContact CG1-CB 3.89Å; V101-F109 HydrophobicContact CG1-CD1 3.8Å; V101-F109 HydrophobicContact CG1-CG 4.26Å; V101-A134 HydrophobicContact CB-CB 4.44Å; V101-A134 HydrophobicContact CG1-CB 3.84Å; V101-A134 HydrophobicContact CG2-CB 3.75Å; V101-A135 HydrophobicContact CG2-CB 3.88Å |
| 102 | R | 92.7 | Very high | 83.4 | Confident | 116 Ų | 116 | 84.6 Ų | 84.6 | 44% | 0.438 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.5 | 171.7 | 35.8 | 163.7 | 163.4 | -115.5 | -99.8 | 110.3 | F109 A110 E112 | R102-F109 WeakPolarHBondContact O-CA 3.31Å; R102-A110 HydrophobicContact CG-CB 4.01Å; R102-A110 VanDerWaalsContact CG-O 3.28Å; R102-A110 WeakPolarHBondContact CG-O 3.46Å; R102-A110 PolarHBondContact N-O 2.9Å; R102-A110 PolarHBondContact O-N 2.88Å; R102-E112 IonicContact CZ-OE1 3.03Å; R102-E112 VanDerWaalsContact CZ-OE1 3.24Å; R102-E112 IonicContact CZ-OE2 3.91Å; R102-E112 IonicContact NE-OE2 2.95Å; R102-E112 IonicContact NH1-OE1 2.74Å; R102-E112 PolarHBondContact NH1-OE1 2.95Å; R102-E112 VanDerWaalsContact NH1-OE1 3.1Å; R102-E112 IonicContact NH1-OE2 3.29Å; R102-E112 PolarHBondContact NH1-OE2 3.49Å; R102-E112 IonicContact NH2-OE1 3.1Å; R102-E112 PolarHBondContact NH2-OE1 3.16Å; R102-E112 IonicContact NH2-OE2 3.24Å; R102-E112 PolarHBondContact NH2-OE2 2.65Å; R102-E112 VanDerWaalsContact NH2-OE2 3.16Å |
| 103 | R | 92.9 | Very high | 85.3 | Confident | 149 Ų | 149 | 80.7 Ų | 80.7 | 56% | 0.562 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.2 | 178.1 | -172.1 | 174.7 | -175.8 | -106.5 | 0.8 | 110 | F109 | R103-F109 HydrophobicContact CB-CD1 4.33Å; R103-F109 HydrophobicContact CB-CE1 4.19Å; R103-F109 HydrophobicContact CG-CD1 4.41Å; R103-F109 HydrophobicContact CG-CE1 3.94Å |
| 104 | R | 91.3 | Very high | 87.1 | Confident | 172 Ų | 172 | 84.7 Ų | 84.7 | 65% | 0.649 | 43% | 0.425 | S | S | * | . | trans | -92.3 | 150.5 | 171.9 | -170.9 | 72.5 | -147.3 | -164 | 8.6 | 109.5 | W106 G107 R108 | R104-W106 HydrophobicContact CG-CB 4.14Å; R104-W106 PolarHBondContact O-N 3.18Å; R104-W106 VanDerWaalsContact O-N 3.09Å; R104-G107 PolarHBondContact O-N 2.74Å; R104-R108 PolarHBondContact N-O 3.02Å | ||
| 105 | P | 92.6 | Very high | 88.5 | Confident | 115 Ų | 115 | 79.7 Ų | 79.7 | 75% | 0.747 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.6 | 168.9 | 18.5 | -35 | 0 | 0 | 0 | 114.4 | G107 | P105-G107 PolarHBondContact O-N 3.32Š|
| 106 | W | 86.6 | Confident | 89.1 | Confident | 219 Ų | 219 | 73.1 Ų | 73.1 | 83% | 0.83 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 0.4 | 174.2 | -168.4 | -108.6 | 0 | 0 | 0 | 114 | R104 R108 | R104-W106 HydrophobicContact CG-CB 4.14Å; R104-W106 PolarHBondContact O-N 3.18Å; R104-W106 VanDerWaalsContact O-N 3.09Å; W106-R108 VanDerWaalsContact C-N 3.33Å; W106-R108 PolarHBondContact O-N 2.85Å |
| 107 | G | 90 | Very high | 89.2 | Confident | 32 Ų | 32 | 76.5 Ų | 76.5 | 33% | 0.33 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 86.8 | -9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R104 P105 | R104-G107 PolarHBondContact O-N 2.74Å; P105-G107 PolarHBondContact O-N 3.32Å |
| 108 | R | 93.1 | Very high | 88.5 | Confident | 93 Ų | 93 | 75.8 Ų | 75.8 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | trans | -81.6 | 152.5 | 177.7 | -59.4 | -169.5 | 79.6 | 160.9 | 15.9 | 112.8 | R104 W106 D129 | R104-R108 PolarHBondContact N-O 3.02Å; W106-R108 VanDerWaalsContact C-N 3.33Å; W106-R108 PolarHBondContact O-N 2.85Å; R108-D129 IonicContact CZ-OD1 3.41Å; R108-D129 IonicContact NE-OD1 3.16Å; R108-D129 PolarHBondContact NE-OD1 3.35Å; R108-D129 IonicContact NH2-OD1 2.78Å; R108-D129 PolarHBondContact NH2-OD1 2.82Å | ||
| 109 | F | 94.6 | Very high | 88 | Confident | 38 Ų | 38 | 82 Ų | 82 | 17% | 0.167 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125 | 177.5 | -59.8 | -82.6 | 0 | 0 | 0 | 110 | V101 R102 R103 T127 F128 A131 A134 | V101-F109 HydrophobicContact CG1-CB 3.89Å; V101-F109 HydrophobicContact CG1-CD1 3.8Å; V101-F109 HydrophobicContact CG1-CG 4.26Å; R102-F109 WeakPolarHBondContact O-CA 3.31Å; R103-F109 HydrophobicContact CB-CD1 4.33Å; R103-F109 HydrophobicContact CB-CE1 4.19Å; R103-F109 HydrophobicContact CG-CD1 4.41Å; R103-F109 HydrophobicContact CG-CE1 3.94Å; F109-T127 CarbonylContact O-C 3.57Å; F109-T127 WeakPolarHBondContact O-CA 3.3Å; F109-F128 PolarHBondContact N-O 2.97Å; F109-F128 PolarHBondContact O-N 2.57Å; F109-A131 HydrophobicContact CD1-CB 3.76Å; F109-A131 HydrophobicContact CD2-CB 4.24Å; F109-A131 VanDerWaalsContact CD2-N 3.32Å; F109-A131 HydrophobicContact CE1-CB 3.61Å; F109-A131 HydrophobicContact CE2-CB 4.11Å; F109-A131 HydrophobicContact CG-CB 4.07Å; F109-A131 HydrophobicContact CZ-CB 3.8Å; F109-A134 HydrophobicContact CB-CB 3.82Å |
| 110 | A | 93.6 | Very high | 87.6 | Confident | 18 Ų | 18 | 79.9 Ų | 79.9 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | R102 G126 T127 | R102-A110 HydrophobicContact CG-CB 4.01Å; R102-A110 VanDerWaalsContact CG-O 3.28Å; R102-A110 WeakPolarHBondContact CG-O 3.46Å; R102-A110 PolarHBondContact N-O 2.9Å; R102-A110 PolarHBondContact O-N 2.88Å; A110-G126 WeakPolarHBondContact CA-O 3.43Å; A110-T127 HydrophobicContact CB-CG2 4.09Å |
| 111 | A | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L125 G126 F128 A134 | A111-L125 HydrophobicContact CB-CB 4.25Å; A111-L125 HydrophobicContact CB-CD1 4.23Å; A111-L125 WeakPolarHBondContact O-CB 3.5Å; A111-L125 PolarHBondContact O-N 3.24Å; A111-G126 PolarHBondContact N-O 2.85Å; A111-G126 PolarHBondContact O-N 3.12Å; A111-F128 HydrophobicContact CB-CD2 4.28Å; A111-F128 HydrophobicContact CB-CE2 3.89Å; A111-A134 HydrophobicContact CB-CB 4.23Å; A111-A134 WeakPolarHBondContact CB-O 3.41Å |
| 112 | E | 91.8 | Very high | 87 | Confident | 26 Ų | 26 | 87 Ų | 87 | 12% | 0.121 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 156.1 | 169.9 | 86.2 | -177.6 | -177.6 | 0 | 0 | 109.6 | R102 R122 V123 Y138 | R102-E112 IonicContact CZ-OE1 3.03Å; R102-E112 VanDerWaalsContact CZ-OE1 3.24Å; R102-E112 IonicContact CZ-OE2 3.91Å; R102-E112 IonicContact NE-OE2 2.95Å; R102-E112 IonicContact NH1-OE1 2.74Å; R102-E112 PolarHBondContact NH1-OE1 2.95Å; R102-E112 VanDerWaalsContact NH1-OE1 3.1Å; R102-E112 IonicContact NH1-OE2 3.29Å; R102-E112 PolarHBondContact NH1-OE2 3.49Å; R102-E112 IonicContact NH2-OE1 3.1Å; R102-E112 PolarHBondContact NH2-OE1 3.16Å; R102-E112 IonicContact NH2-OE2 3.24Å; R102-E112 PolarHBondContact NH2-OE2 2.65Å; R102-E112 VanDerWaalsContact NH2-OE2 3.16Å; E112-R122 IonicContact OE1-NH1 3.78Å; E112-V123 VanDerWaalsContact CA-O 3.31Å; E112-V123 WeakPolarHBondContact CA-O 3.36Å; E112-V123 WeakPolarHBondContact CB-O 3.28Å; E112-Y138 VanDerWaalsContact O-CD2 3.31Å; E112-Y138 WeakPolarHBondContact O-CD2 3.31Å; E112-Y138 WeakPolarHBondContact O-CE2 3.24Å |
| 113 | I | 91 | Very high | 86.7 | Confident | 9 Ų | 9 | 82 Ų | 82 | 5% | 0.046 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 148.1 | 175.4 | -173 | 167.8 | 0 | 0 | 0 | 110 | V123 L125 Y138 A141 A142 A145 V184 | I113-V123 HydrophobicContact CG2-CB 4.01Å; I113-V123 PolarHBondContact N-O 3.45Å; I113-V123 PolarHBondContact O-N 3.39Å; I113-L125 HydrophobicContact CB-CD1 4.39Å; I113-L125 HydrophobicContact CG2-CD1 4.33Å; I113-L125 HydrophobicContact CG2-CD2 4.13Å; I113-L125 HydrophobicContact CG2-CG 4.32Å; I113-Y138 HydrophobicContact CB-CD2 4.36Å; I113-Y138 HydrophobicContact CB-CE2 4.18Å; I113-Y138 HydrophobicContact CG1-CE2 4.17Å; I113-A141 HydrophobicContact CD1-CB 4.08Å; I113-A141 HydrophobicContact CG2-CB 4.19Å; I113-A142 VanDerWaalsContact CD1-CA 3.5Å; I113-A142 HydrophobicContact CD1-CB 4Å; I113-A145 HydrophobicContact CD1-CB 4.3Å; I113-V184 HydrophobicContact CG2-CB 4.5Å; I113-V184 HydrophobicContact CG2-CG1 3.34Å; I113-V184 HydrophobicContact CG2-CG2 4.36Å |
| 114 | R | 89.2 | Confident | 86.6 | Confident | 154 Ų | 154 | 81.8 Ų | 81.8 | 58% | 0.581 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.6 | 170.9 | -66.2 | 179.5 | 176.6 | -131.6 | 9.8 | 108.2 | R122 | R114-R122 HydrophobicContact CG-CG 4.39Å; R114-R122 VanDerWaalsContact NH2-NH2 3.17Å |
| 115 | D | 78.6 | Confident | 86.5 | Confident | 9 Ų | 9 | 74.3 Ų | 74.3 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 108.2 | 177.1 | -170.9 | -4.7 | 0 | 0 | 0 | 109.4 | T117 R118 G120 A121 | D115-T117 PolarHBondContact O-N 3.06Å; D115-T117 WeakPolarHBondContact OD1-CB 3.39Å; D115-T117 PolarHBondContact OD1-N 2.92Å; D115-T117 PolarHBondContact OD1-OG1 3.25Å; D115-R118 HydrophobicContact CB-CB 4.36Å; D115-R118 PolarHBondContact O-N 2.87Å; D115-G120 VanDerWaalsContact O-CA 3.23Å; D115-G120 WeakPolarHBondContact O-CA 3.3Å; D115-G120 PolarHBondContact O-N 2.75Å; D115-A121 PolarHBondContact N-O 3.06Å; D115-A121 VanDerWaalsContact N-O 3.14Å |
| 116 | S | 74.8 | Confident | 86.5 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 59% | 0.587 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -64.2 | -29 | 176.3 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | R118 N119 | S116-R118 PolarHBondContact O-N 3.39Å; S116-R118 VanDerWaalsContact O-N 3.12Å; S116-N119 PolarHBondContact O-N 3.25Å |
| 117 | T | 69.9 | Low | 86.8 | Confident | 113 Ų | 113 | 61 Ų | 61 | 69% | 0.693 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -62.9 | -18.5 | 177.4 | -32.7 | 0 | 0 | 0 | 0 | 112 | D115 | D115-T117 PolarHBondContact O-N 3.06Å; D115-T117 WeakPolarHBondContact OD1-CB 3.39Å; D115-T117 PolarHBondContact OD1-N 2.92Å; D115-T117 PolarHBondContact OD1-OG1 3.25Å |
| 118 | R | 72.5 | Confident | 86.9 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -119.9 | 47.2 | -178.4 | -66.4 | 179.4 | 155.1 | -157.8 | -10.9 | 111.7 | D115 S116 G120 A121 S182 | D115-R118 HydrophobicContact CB-CB 4.36Å; D115-R118 PolarHBondContact O-N 2.87Å; S116-R118 PolarHBondContact O-N 3.39Å; S116-R118 VanDerWaalsContact O-N 3.12Å; R118-G120 PolarHBondContact O-N 2.94Å; R118-G120 VanDerWaalsContact O-N 3.08Å; R118-A121 HydrophobicContact CB-CB 4.11Å; R118-A121 WeakPolarHBondContact O-CB 3.48Å; R118-A121 PolarHBondContact O-N 2.83Å; R118-S182 PolarHBondContact NH1-OG 3.04Å |
| 119 | N | 82.8 | Confident | 86.9 | Confident | 169 Ų | 169 | 62.9 Ų | 62.9 | 90% | 0.904 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 30.4 | 178.3 | -51 | 90.9 | 0 | 0 | 0 | 113.1 | S116 A121 | S116-N119 PolarHBondContact O-N 3.25Å; N119-A121 VanDerWaalsContact C-N 3.29Å; N119-A121 PolarHBondContact O-N 3.18Å |
| 120 | G | 81.4 | Confident | 86.8 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 18.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D115 R118 R122 | D115-G120 VanDerWaalsContact O-CA 3.23Å; D115-G120 WeakPolarHBondContact O-CA 3.3Å; D115-G120 PolarHBondContact O-N 2.75Å; R118-G120 PolarHBondContact O-N 2.94Å; R118-G120 VanDerWaalsContact O-N 3.08Å; G120-R122 PolarHBondContact O-N 2.98Å |
| 121 | A | 84.3 | Confident | 86.8 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 136.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D115 R118 N119 | D115-A121 PolarHBondContact N-O 3.06Å; D115-A121 VanDerWaalsContact N-O 3.14Å; R118-A121 HydrophobicContact CB-CB 4.11Å; R118-A121 WeakPolarHBondContact O-CB 3.48Å; R118-A121 PolarHBondContact O-N 2.83Å; N119-A121 VanDerWaalsContact C-N 3.29Å; N119-A121 PolarHBondContact O-N 3.18Å |
| 122 | R | 88.6 | Confident | 86.8 | Confident | 152 Ų | 152 | 68.7 Ų | 68.7 | 57% | 0.574 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.3 | 178.8 | -59.7 | -174.5 | -173.1 | -163.4 | 10.5 | 109.1 | E112 R114 G120 | E112-R122 IonicContact OE1-NH1 3.78Å; R114-R122 HydrophobicContact CG-CG 4.39Å; R114-R122 VanDerWaalsContact NH2-NH2 3.17Å; G120-R122 PolarHBondContact O-N 2.98Å |
| 123 | V | 87.3 | Confident | 86.8 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111.3 | 174.2 | -174 | 0 | 0 | 0 | 0 | 109 | E112 I113 L125 V184 L185 K188 | E112-V123 VanDerWaalsContact CA-O 3.31Å; E112-V123 WeakPolarHBondContact CA-O 3.36Å; E112-V123 WeakPolarHBondContact CB-O 3.28Å; I113-V123 HydrophobicContact CG2-CB 4.01Å; I113-V123 PolarHBondContact N-O 3.45Å; I113-V123 PolarHBondContact O-N 3.39Å; V123-L125 PolarHBondContact O-N 3.11Å; V123-V184 HydrophobicContact CB-CG1 3.85Å; V123-V184 HydrophobicContact CG1-CG1 3.7Å; V123-V184 HydrophobicContact CG2-CG1 4.16Å; V123-L185 HydrophobicContact CG1-CD2 3.87Å; V123-K188 HydrophobicContact CG1-CD 4.17Å |
| 124 | W | 90 | Very high | 87 | Confident | 143 Ų | 143 | 68.9 Ų | 68.9 | 54% | 0.542 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 115 | 173.3 | -178.8 | 32.4 | 0 | 0 | 0 | 110.2 | G126 T127 K188 | W124-G126 PolarHBondContact NE1-O 3.32Å; W124-T127 HydrophobicContact CZ2-CG2 4Å; W124-K188 WeakPolarHBondContact O-CD 3.44Å; W124-K188 WeakPolarHBondContact O-CE 3.38Å |
| 125 | L | 89.9 | Confident | 87.3 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -40 | -178.6 | -60.4 | 171.5 | 0 | 0 | 0 | 111 | A111 I113 V123 A141 V184 | A111-L125 HydrophobicContact CB-CB 4.25Å; A111-L125 HydrophobicContact CB-CD1 4.23Å; A111-L125 WeakPolarHBondContact O-CB 3.5Å; A111-L125 PolarHBondContact O-N 3.24Å; I113-L125 HydrophobicContact CB-CD1 4.39Å; I113-L125 HydrophobicContact CG2-CD1 4.33Å; I113-L125 HydrophobicContact CG2-CD2 4.13Å; I113-L125 HydrophobicContact CG2-CG 4.32Å; V123-L125 PolarHBondContact O-N 3.11Å; L125-A141 HydrophobicContact CD1-CB 3.67Å; L125-A141 HydrophobicContact CD2-CB 3.67Å; L125-A141 HydrophobicContact CG-CB 4.32Å; L125-V184 HydrophobicContact CD2-CG1 3.97Å |
| 126 | G | 92.2 | Very high | 88 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157 | -171.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A110 A111 W124 | A110-G126 WeakPolarHBondContact CA-O 3.43Å; A111-G126 PolarHBondContact N-O 2.85Å; A111-G126 PolarHBondContact O-N 3.12Å; W124-G126 PolarHBondContact NE1-O 3.32Å |
| 127 | T | 93.6 | Very high | 88.9 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 25% | 0.245 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.5 | 170.9 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | F109 A110 W124 K195 | F109-T127 CarbonylContact O-C 3.57Å; F109-T127 WeakPolarHBondContact O-CA 3.3Å; A110-T127 HydrophobicContact CB-CG2 4.09Å; W124-T127 HydrophobicContact CZ2-CG2 4Å; T127-K195 PolarHBondContact O-NZ 3.43Å |
| 128 | F | 92.3 | Very high | 90.1 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 18% | 0.18 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 153.3 | -175.4 | -55.7 | -92.7 | 0 | 0 | 0 | 109.1 | F109 A111 A133 A134 A137 | F109-F128 PolarHBondContact N-O 2.97Å; F109-F128 PolarHBondContact O-N 2.57Å; A111-F128 HydrophobicContact CB-CD2 4.28Å; A111-F128 HydrophobicContact CB-CE2 3.89Å; F128-A133 HydrophobicContact CB-CB 4.24Å; F128-A133 HydrophobicContact CD1-CB 4.09Å; F128-A133 HydrophobicContact CG-CB 4.44Å; F128-A134 HydrophobicContact CB-CB 3.99Å; F128-A134 VanDerWaalsContact CD2-CA 3.47Å; F128-A134 HydrophobicContact CD2-CB 3.67Å; F128-A134 HydrophobicContact CG-CB 4.05Å; F128-A137 HydrophobicContact CE1-CB 3.92Å; F128-A137 HydrophobicContact CE2-CB 3.72Å; F128-A137 HydrophobicContact CZ-CB 3.26Å |
| 129 | D | 91.4 | Very high | 91.1 | Very high | 124 Ų | 124 | 52.3 Ų | 52.3 | 66% | 0.663 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -90.8 | -17.8 | -178.2 | -49.9 | -38.3 | 0 | 0 | 0 | 111 | R108 | R108-D129 IonicContact CZ-OD1 3.41Å; R108-D129 IonicContact NE-OD1 3.16Å; R108-D129 PolarHBondContact NE-OD1 3.35Å; R108-D129 IonicContact NH2-OD1 2.78Å; R108-D129 PolarHBondContact NH2-OD1 2.82Å |
| 130 | S | 92.8 | Very high | 91.6 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -114.2 | 140.9 | 172.1 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | E132 A133 A134 | S130-E132 VanDerWaalsContact C-N 3.3Å; S130-E132 PolarHBondContact O-N 3.2Å; S130-E132 PolarHBondContact OG-N 3.37Å; S130-A133 PolarHBondContact O-N 3.36Å; S130-A134 PolarHBondContact O-N 3.21Å; S130-A134 VanDerWaalsContact O-N 3.1Å |
| 131 | A | 93.3 | Very high | 92 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F98 F109 A134 A135 | F98-A131 HydrophobicContact CD2-CB 3.84Å; F98-A131 HydrophobicContact CE2-CB 3.8Å; F109-A131 HydrophobicContact CD1-CB 3.76Å; F109-A131 HydrophobicContact CD2-CB 4.24Å; F109-A131 VanDerWaalsContact CD2-N 3.32Å; F109-A131 HydrophobicContact CE1-CB 3.61Å; F109-A131 HydrophobicContact CE2-CB 4.11Å; F109-A131 HydrophobicContact CG-CB 4.07Å; F109-A131 HydrophobicContact CZ-CB 3.8Å; A131-A134 WeakPolarHBondContact O-CB 3.5Å; A131-A134 PolarHBondContact O-N 2.86Å; A131-A135 WeakPolarHBondContact O-CB 3.34Å; A131-A135 PolarHBondContact O-N 2.88Å |
| 132 | E | 94.4 | Very high | 92.3 | Very high | 105 Ų | 105 | 41.2 Ų | 41.2 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 178.8 | -62.4 | -178.9 | 179.6 | 0 | 0 | 111.6 | F98 S130 A134 A135 M136 F154 | F98-E132 HydrophobicContact CE2-CG 4.39Å; F98-E132 HydrophobicContact CZ-CG 4.12Å; S130-E132 VanDerWaalsContact C-N 3.3Å; S130-E132 PolarHBondContact O-N 3.2Å; S130-E132 PolarHBondContact OG-N 3.37Å; E132-A134 VanDerWaalsContact C-N 3.34Å; E132-A135 PolarHBondContact O-N 2.91Å; E132-M136 VanDerWaalsContact O-CB 3.31Å; E132-M136 WeakPolarHBondContact O-CB 3.43Å; E132-M136 PolarHBondContact O-N 2.95Å; E132-F154 HydrophobicContact CB-CZ 4.45Å |
| 133 | A | 92.3 | Very high | 92.4 | Very high | 39 Ų | 39 | 34.4 Ų | 34.4 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F128 S130 A137 | F128-A133 HydrophobicContact CB-CB 4.24Å; F128-A133 HydrophobicContact CD1-CB 4.09Å; F128-A133 HydrophobicContact CG-CB 4.44Å; S130-A133 PolarHBondContact O-N 3.36Å; A133-A137 PolarHBondContact O-N 2.98Å; A133-A137 VanDerWaalsContact O-N 3.07Å |
| 134 | A | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V101 F109 A111 F128 S130 A131 E132 M136 A137 Y138 | V101-A134 HydrophobicContact CB-CB 4.44Å; V101-A134 HydrophobicContact CG1-CB 3.84Å; V101-A134 HydrophobicContact CG2-CB 3.75Å; F109-A134 HydrophobicContact CB-CB 3.82Å; A111-A134 HydrophobicContact CB-CB 4.23Å; A111-A134 WeakPolarHBondContact CB-O 3.41Å; F128-A134 HydrophobicContact CB-CB 3.99Å; F128-A134 VanDerWaalsContact CD2-CA 3.47Å; F128-A134 HydrophobicContact CD2-CB 3.67Å; F128-A134 HydrophobicContact CG-CB 4.05Å; S130-A134 PolarHBondContact O-N 3.21Å; S130-A134 VanDerWaalsContact O-N 3.1Å; A131-A134 WeakPolarHBondContact O-CB 3.5Å; A131-A134 PolarHBondContact O-N 2.86Å; E132-A134 VanDerWaalsContact C-N 3.34Å; A134-M136 VanDerWaalsContact C-N 3.33Å; A134-M136 PolarHBondContact O-N 3.01Å; A134-A137 PolarHBondContact O-N 3.48Å; A134-Y138 PolarHBondContact O-N 2.8Å |
| 135 | A | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F98 V101 A131 E132 A137 Y138 D139 N153 F154 | F98-A135 HydrophobicContact CB-CB 3.59Å; F98-A135 HydrophobicContact CD1-CB 3.78Å; F98-A135 HydrophobicContact CD2-CB 4.27Å; F98-A135 HydrophobicContact CG-CB 3.63Å; V101-A135 HydrophobicContact CG2-CB 3.88Å; A131-A135 WeakPolarHBondContact O-CB 3.34Å; A131-A135 PolarHBondContact O-N 2.88Å; E132-A135 PolarHBondContact O-N 2.91Å; A135-A137 PolarHBondContact O-N 3.09Å; A135-Y138 WeakPolarHBondContact O-CB 3.46Å; A135-Y138 PolarHBondContact O-N 3.07Å; A135-D139 PolarHBondContact O-N 3.35Å; A135-N153 HydrophobicContact CB-CB 4.49Å; A135-F154 HydrophobicContact CB-CE2 3.73Å; A135-F154 HydrophobicContact CB-CZ 4.11Å |
| 136 | M | 95.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 35 Ų | 35 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 177.7 | -168.2 | -175.7 | -62.9 | 0 | 0 | 111.2 | E132 A134 Y138 D139 Q140 F154 | E132-M136 VanDerWaalsContact O-CB 3.31Å; E132-M136 WeakPolarHBondContact O-CB 3.43Å; E132-M136 PolarHBondContact O-N 2.95Å; A134-M136 VanDerWaalsContact C-N 3.33Å; A134-M136 PolarHBondContact O-N 3.01Å; M136-Y138 VanDerWaalsContact C-N 3.32Å; M136-Y138 PolarHBondContact O-N 3.07Å; M136-D139 PolarHBondContact O-N 2.9Å; M136-Q140 WeakPolarHBondContact O-CB 3.45Å; M136-Q140 WeakPolarHBondContact O-CG 3.47Å; M136-Q140 PolarHBondContact O-N 3.01Å; M136-F154 HydrophobicContact CB-CD2 4.49Å; M136-F154 HydrophobicContact CB-CE2 4.11Å |
| 137 | A | 93.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -37.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F128 A133 A134 A135 A141 | F128-A137 HydrophobicContact CE1-CB 3.92Å; F128-A137 HydrophobicContact CE2-CB 3.72Å; F128-A137 HydrophobicContact CZ-CB 3.26Å; A133-A137 PolarHBondContact O-N 2.98Å; A133-A137 VanDerWaalsContact O-N 3.07Å; A134-A137 PolarHBondContact O-N 3.48Å; A135-A137 PolarHBondContact O-N 3.09Å; A137-A141 PolarHBondContact O-N 3.32Å |
| 138 | Y | 94.4 | Very high | 91 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -51.1 | 172.4 | 176.5 | -94.5 | 0 | 0 | 0 | 111.4 | I99 E112 I113 A134 A135 M136 Q140 A141 A142 | I99-Y138 HydrophobicContact CB-CE1 4.18Å; I99-Y138 HydrophobicContact CG2-CD1 4.41Å; I99-Y138 HydrophobicContact CG2-CE1 3.57Å; I99-Y138 WeakPolarHBondContact O-CD1 3.21Å; E112-Y138 VanDerWaalsContact O-CD2 3.31Å; E112-Y138 WeakPolarHBondContact O-CD2 3.31Å; E112-Y138 WeakPolarHBondContact O-CE2 3.24Å; I113-Y138 HydrophobicContact CB-CD2 4.36Å; I113-Y138 HydrophobicContact CB-CE2 4.18Å; I113-Y138 HydrophobicContact CG1-CE2 4.17Å; A134-Y138 PolarHBondContact O-N 2.8Å; A135-Y138 WeakPolarHBondContact O-CB 3.46Å; A135-Y138 PolarHBondContact O-N 3.07Å; M136-Y138 VanDerWaalsContact C-N 3.32Å; M136-Y138 PolarHBondContact O-N 3.07Å; Y138-Q140 VanDerWaalsContact C-N 3.31Å; Y138-Q140 PolarHBondContact O-N 3.2Å; Y138-A141 CarbonylContact O-C 3.59Å; Y138-A141 WeakPolarHBondContact O-CB 3.41Å; Y138-A141 PolarHBondContact O-N 3.01Å; Y138-A141 VanDerWaalsContact O-N 3.07Å; Y138-A142 HydrophobicContact CE1-CB 4.19Å; Y138-A142 WeakPolarHBondContact O-CB 3.45Å; Y138-A142 PolarHBondContact O-N 3.47Å |
| 139 | D | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | -179.5 | -76.2 | 6.5 | 0 | 0 | 0 | 111.9 | A135 M136 A141 A142 L143 L152 N153 F154 V159 | A135-D139 PolarHBondContact O-N 3.35Å; M136-D139 PolarHBondContact O-N 2.9Å; D139-A141 VanDerWaalsContact C-N 3.32Å; D139-A141 PolarHBondContact O-N 2.76Å; D139-A142 PolarHBondContact O-N 3.31Å; D139-L143 WeakPolarHBondContact O-CB 3.48Å; D139-L143 PolarHBondContact O-N 3.12Å; D139-L152 HydrophobicContact CB-CD2 3.94Å; D139-L152 WeakPolarHBondContact O-CD2 3.11Å; D139-N153 VanDerWaalsContact CG-N 3.3Å; D139-N153 PolarHBondContact OD1-N 3Å; D139-N153 PolarHBondContact OD1-ND2 2.93Å; D139-N153 WeakPolarHBondContact OD2-CA 3.45Å; D139-N153 WeakPolarHBondContact OD2-CB 3.31Å; D139-N153 PolarHBondContact OD2-N 3.49Å; D139-F154 WeakPolarHBondContact OD2-CD2 3.32Å; D139-F154 PolarHBondContact OD2-N 3Å; D139-V159 HydrophobicContact CB-CB 4.49Å; D139-V159 HydrophobicContact CB-CG1 3.9Å; D139-V159 HydrophobicContact CB-CG2 3.71Å |
| 140 | Q | 92 | Very high | 90.6 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 174.4 | -75.1 | 169.4 | 1.1 | 0 | 0 | 112.2 | M136 Y138 S144 V159 S162 L163 L187 H191 | M136-Q140 WeakPolarHBondContact O-CB 3.45Å; M136-Q140 WeakPolarHBondContact O-CG 3.47Å; M136-Q140 PolarHBondContact O-N 3.01Å; Y138-Q140 VanDerWaalsContact C-N 3.31Å; Y138-Q140 PolarHBondContact O-N 3.2Å; Q140-S144 WeakPolarHBondContact O-CB 3.34Å; Q140-S144 PolarHBondContact O-N 2.99Å; Q140-S144 VanDerWaalsContact O-N 3.12Å; Q140-S144 PolarHBondContact O-OG 3.34Å; Q140-V159 HydrophobicContact CG-CG1 4.22Å; Q140-S162 PolarHBondContact NE2-OG 3.42Å; Q140-L163 HydrophobicContact CB-CD2 3.61Å; Q140-L163 HydrophobicContact CB-CG 4.21Å; Q140-L163 HydrophobicContact CG-CD2 3.66Å; Q140-L163 HydrophobicContact CG-CG 3.89Å; Q140-L187 HydrophobicContact CB-CD2 4.41Å; Q140-L187 WeakPolarHBondContact O-CD1 3.12Å; Q140-H191 PolarHBondContact OE1-CE1 3.31Å; Q140-H191 PolarHBondContact OE1-NE2 2.79Å |
| 141 | A | 90.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.5 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | I113 L125 A137 Y138 D139 S144 A145 V184 | I113-A141 HydrophobicContact CD1-CB 4.08Å; I113-A141 HydrophobicContact CG2-CB 4.19Å; L125-A141 HydrophobicContact CD1-CB 3.67Å; L125-A141 HydrophobicContact CD2-CB 3.67Å; L125-A141 HydrophobicContact CG-CB 4.32Å; A137-A141 PolarHBondContact O-N 3.32Å; Y138-A141 CarbonylContact O-C 3.59Å; Y138-A141 WeakPolarHBondContact O-CB 3.41Å; Y138-A141 PolarHBondContact O-N 3.01Å; Y138-A141 VanDerWaalsContact O-N 3.07Å; D139-A141 VanDerWaalsContact C-N 3.32Å; D139-A141 PolarHBondContact O-N 2.76Å; A141-S144 PolarHBondContact O-N 3.07Å; A141-A145 VanDerWaalsContact O-CB 3.3Å; A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.35Å; A141-V184 HydrophobicContact CB-CG1 4.28Å |
| 142 | A | 90.7 | Very high | 90.5 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -47.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I113 Y138 D139 S144 A145 R146 A150 L152 | I113-A142 VanDerWaalsContact CD1-CA 3.5Å; I113-A142 HydrophobicContact CD1-CB 4Å; Y138-A142 HydrophobicContact CE1-CB 4.19Å; Y138-A142 WeakPolarHBondContact O-CB 3.45Å; Y138-A142 PolarHBondContact O-N 3.47Å; D139-A142 PolarHBondContact O-N 3.31Å; A142-S144 VanDerWaalsContact C-N 3.26Å; A142-S144 PolarHBondContact O-N 2.8Å; A142-A145 PolarHBondContact O-N 3.4Å; A142-R146 PolarHBondContact O-N 3.22Å; A142-A150 HydrophobicContact CB-CB 4.14Å; A142-A150 WeakPolarHBondContact O-CB 3.38Å; A142-L152 HydrophobicContact CB-CD2 4.06Å |
| 143 | L | 89.4 | Confident | 90.5 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 175.6 | -175.2 | 65.3 | 0 | 0 | 0 | 111.2 | D139 G147 L152 V156 V159 Q160 L163 | D139-L143 WeakPolarHBondContact O-CB 3.48Å; D139-L143 PolarHBondContact O-N 3.12Å; L143-G147 WeakPolarHBondContact CD1-O 3.36Å; L143-G147 WeakPolarHBondContact O-CA 3.11Å; L143-G147 PolarHBondContact O-N 2.93Å; L143-L152 HydrophobicContact CB-CD2 4.2Å; L143-L152 HydrophobicContact CD1-CD1 4.28Å; L143-V156 HydrophobicContact CD1-CG2 4.11Å; L143-V156 HydrophobicContact CD2-CG2 4.47Å; L143-V159 HydrophobicContact CB-CG1 4.19Å; L143-V159 HydrophobicContact CD2-CB 4.17Å; L143-V159 HydrophobicContact CD2-CG1 3.7Å; L143-Q160 HydrophobicContact CD2-CG 3.85Å; L143-L163 HydrophobicContact CD2-CD1 3.74Å; L143-L163 HydrophobicContact CG-CD1 4.37Å |
| 144 | S | 85.1 | Confident | 90.5 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -77.5 | -24.5 | 179.1 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | Q140 A141 A142 P183 L187 | Q140-S144 WeakPolarHBondContact O-CB 3.34Å; Q140-S144 PolarHBondContact O-N 2.99Å; Q140-S144 VanDerWaalsContact O-N 3.12Å; Q140-S144 PolarHBondContact O-OG 3.34Å; A141-S144 PolarHBondContact O-N 3.07Å; A142-S144 VanDerWaalsContact C-N 3.26Å; A142-S144 PolarHBondContact O-N 2.8Å; S144-P183 WeakPolarHBondContact O-CB 3.36Å; S144-P183 WeakPolarHBondContact O-CG 3.07Å; S144-L187 WeakPolarHBondContact OG-CD1 3.37Å |
| 145 | A | 84.5 | Confident | 90.5 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -83.2 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I113 A141 A142 V184 | I113-A145 HydrophobicContact CD1-CB 4.3Å; A141-A145 VanDerWaalsContact O-CB 3.3Å; A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.35Å; A142-A145 PolarHBondContact O-N 3.4Å; A145-V184 HydrophobicContact CB-CG2 3.6Å |
| 146 | R | 85.1 | Confident | 90.3 | Very high | 147 Ų | 147 | 38.8 Ų | 38.8 | 56% | 0.555 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -112.2 | -10.8 | -170.1 | -169.4 | 174.1 | -70.6 | -172.4 | -2.5 | 113.4 | A142 A149 A150 | A142-R146 PolarHBondContact O-N 3.22Å; R146-A149 VanDerWaalsContact CD-O 3.22Å; R146-A149 WeakPolarHBondContact CD-O 3.4Å; R146-A149 HydrophobicContact CG-CB 4.11Å; R146-A150 HydrophobicContact CB-CB 4.15Å |
| 147 | G | 85.6 | Confident | 90.2 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | 70 | -146.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L143 A149 A150 | L143-G147 WeakPolarHBondContact CD1-O 3.36Å; L143-G147 WeakPolarHBondContact O-CA 3.11Å; L143-G147 PolarHBondContact O-N 2.93Å; G147-A149 PolarHBondContact O-N 3.15Å; G147-A149 VanDerWaalsContact O-N 3.15Å; G147-A150 VanDerWaalsContact O-CB 3.24Å; G147-A150 WeakPolarHBondContact O-CB 3.46Å; G147-A150 PolarHBondContact O-N 2.89Å |
| 148 | S | 85.1 | Confident | 90.2 | Very high | 118 Ų | 118 | 47.5 Ų | 47.5 | 83% | 0.825 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -60.6 | -22.6 | -177.5 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | A150 | S148-A150 PolarHBondContact O-N 2.68Š|
| 149 | A | 86 | Confident | 90 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 59% | 0.587 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -82 | 6.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R146 G147 | R146-A149 VanDerWaalsContact CD-O 3.22Å; R146-A149 WeakPolarHBondContact CD-O 3.4Å; R146-A149 HydrophobicContact CG-CB 4.11Å; G147-A149 PolarHBondContact O-N 3.15Å; G147-A149 VanDerWaalsContact O-N 3.15Å |
| 150 | A | 88.8 | Confident | 89.7 | Confident | 16 Ų | 16 | 48 Ų | 48 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | trans | -70.6 | 134.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A142 R146 G147 S148 L152 | A142-A150 HydrophobicContact CB-CB 4.14Å; A142-A150 WeakPolarHBondContact O-CB 3.38Å; R146-A150 HydrophobicContact CB-CB 4.15Å; G147-A150 VanDerWaalsContact O-CB 3.24Å; G147-A150 WeakPolarHBondContact O-CB 3.46Å; G147-A150 PolarHBondContact O-N 2.89Å; S148-A150 PolarHBondContact O-N 2.68Å; A150-L152 HydrophobicContact CB-CD2 3.76Å; A150-L152 HydrophobicContact CB-CG 4.24Å; A150-L152 PolarHBondContact O-N 3.32Å | ||
| 151 | A | 90.5 | Very high | 89.6 | Confident | 62 Ų | 62 | 52.4 Ų | 52.4 | 51% | 0.512 | 30% | 0.297 | S | S | . | . | trans | -77.6 | 113.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 152 | L | 93.2 | Very high | 89.5 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | trans | -112.4 | 151.7 | -175.9 | -53.8 | 178.1 | 0 | 0 | 0 | 110.7 | D139 A142 L143 A150 F154 V156 V159 | D139-L152 HydrophobicContact CB-CD2 3.94Å; D139-L152 WeakPolarHBondContact O-CD2 3.11Å; A142-L152 HydrophobicContact CB-CD2 4.06Å; L143-L152 HydrophobicContact CB-CD2 4.2Å; L143-L152 HydrophobicContact CD1-CD1 4.28Å; A150-L152 HydrophobicContact CB-CD2 3.76Å; A150-L152 HydrophobicContact CB-CG 4.24Å; A150-L152 PolarHBondContact O-N 3.32Å; L152-F154 WeakPolarHBondContact CB-O 3.04Å; L152-V156 HydrophobicContact CD1-CB 4.29Å; L152-V156 HydrophobicContact CD1-CG2 4.37Å; L152-V159 HydrophobicContact CD1-CB 4.46Å; L152-V159 HydrophobicContact CD1-CG2 4.19Å | ||
| 153 | N | 93.6 | Very high | 89.2 | Confident | 44 Ų | 44 | 53 Ų | 53 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -79.4 | -33.1 | 172 | -63.3 | -70.9 | 0 | 0 | 0 | 112.1 | F98 I99 A135 D139 | F98-N153 HydrophobicContact CD1-CB 4.16Å; I99-N153 VanDerWaalsContact CB-OD1 3.28Å; I99-N153 WeakPolarHBondContact CB-OD1 3.47Å; I99-N153 VanDerWaalsContact CG1-OD1 3.3Å; I99-N153 WeakPolarHBondContact CG1-OD1 3.22Å; I99-N153 PolarHBondContact N-OD1 3.25Å; I99-N153 PolarHBondContact O-ND2 3.38Å; I99-N153 VanDerWaalsContact O-ND2 3.12Å; A135-N153 HydrophobicContact CB-CB 4.49Å; D139-N153 VanDerWaalsContact CG-N 3.3Å; D139-N153 PolarHBondContact OD1-N 3Å; D139-N153 PolarHBondContact OD1-ND2 2.93Å; D139-N153 WeakPolarHBondContact OD2-CA 3.45Å; D139-N153 WeakPolarHBondContact OD2-CB 3.31Å; D139-N153 PolarHBondContact OD2-N 3.49Å |
| 154 | F | 93.5 | Very high | 88.9 | Confident | 27 Ų | 27 | 56 Ų | 56 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -109.8 | 160.3 | -178.4 | -58.6 | -64.9 | 0 | 0 | 0 | 111.9 | F98 E132 A135 M136 D139 L152 V156 R158 V159 | F98-F154 HydrophobicContact CE1-CE1 4.3Å; F98-F154 HydrophobicContact CE1-CZ 4.11Å; E132-F154 HydrophobicContact CB-CZ 4.45Å; A135-F154 HydrophobicContact CB-CE2 3.73Å; A135-F154 HydrophobicContact CB-CZ 4.11Å; M136-F154 HydrophobicContact CB-CD2 4.49Å; M136-F154 HydrophobicContact CB-CE2 4.11Å; D139-F154 WeakPolarHBondContact OD2-CD2 3.32Å; D139-F154 PolarHBondContact OD2-N 3Å; L152-F154 WeakPolarHBondContact CB-O 3.04Å; F154-V156 PolarHBondContact O-N 3.15Å; F154-R158 VanDerWaalsContact CD1-NH1 3.28Å; F154-R158 VanDerWaalsContact CE1-NH1 3.34Å; F154-V159 HydrophobicContact CB-CG2 3.95Å |
| 155 | P | 94.4 | Very high | 88.8 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 33% | 0.331 | 33% | 0.328 | S | S | . | . | trans | -53.6 | 139.3 | 171.1 | -24.7 | 33.9 | 0 | 0 | 0 | 111.6 | E157 R158 V159 | P155-E157 PolarHBondContact O-N 3.46Å; P155-E157 VanDerWaalsContact O-N 3.15Å; P155-R158 WeakPolarHBondContact O-CB 3.43Å; P155-R158 PolarHBondContact O-N 2.88Å; P155-V159 PolarHBondContact O-N 3.43Å | ||
| 156 | V | 91.6 | Very high | 88.3 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 38% | 0.376 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -53.5 | -38.7 | -176.6 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | L143 L152 F154 R158 V159 Q160 | L143-V156 HydrophobicContact CD1-CG2 4.11Å; L143-V156 HydrophobicContact CD2-CG2 4.47Å; L152-V156 HydrophobicContact CD1-CB 4.29Å; L152-V156 HydrophobicContact CD1-CG2 4.37Å; F154-V156 PolarHBondContact O-N 3.15Å; V156-R158 PolarHBondContact O-N 2.84Å; V156-V159 PolarHBondContact O-N 3.22Å; V156-Q160 HydrophobicContact CG2-CG 4.25Å; V156-Q160 WeakPolarHBondContact O-CB 3.45Å; V156-Q160 VanDerWaalsContact O-CG 3.3Å; V156-Q160 WeakPolarHBondContact O-CG 3.45Å; V156-Q160 PolarHBondContact O-N 3.26Å |
| 157 | E | 92.5 | Very high | 87.6 | Confident | 146 Ų | 146 | 51.3 Ų | 51.3 | 68% | 0.682 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.8 | -44.7 | 177.8 | -65 | 160 | -169.7 | 0 | 0 | 112.1 | P155 V159 Q160 E161 | P155-E157 PolarHBondContact O-N 3.46Å; P155-E157 VanDerWaalsContact O-N 3.15Å; E157-V159 VanDerWaalsContact C-N 3.33Å; E157-V159 PolarHBondContact O-N 3.5Å; E157-Q160 PolarHBondContact O-N 3.28Å; E157-E161 WeakPolarHBondContact O-CB 3.3Å; E157-E161 PolarHBondContact O-N 2.86Å |
| 158 | R | 92.8 | Very high | 86.7 | Confident | 91 Ų | 91 | 57.3 Ų | 57.3 | 34% | 0.343 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 178.7 | -172.6 | -178.2 | -172.9 | -169.4 | 4.3 | 110.9 | F154 P155 V156 E161 S162 | F154-R158 VanDerWaalsContact CD1-NH1 3.28Å; F154-R158 VanDerWaalsContact CE1-NH1 3.34Å; P155-R158 WeakPolarHBondContact O-CB 3.43Å; P155-R158 PolarHBondContact O-N 2.88Å; V156-R158 PolarHBondContact O-N 2.84Å; R158-E161 PolarHBondContact O-N 2.85Å; R158-S162 WeakPolarHBondContact O-CB 3.31Å; R158-S162 PolarHBondContact O-N 3.48Å |
| 159 | V | 90.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.1 | -45.3 | 179.3 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | D139 Q140 L143 L152 F154 P155 V156 E157 E161 S162 L163 | D139-V159 HydrophobicContact CB-CB 4.49Å; D139-V159 HydrophobicContact CB-CG1 3.9Å; D139-V159 HydrophobicContact CB-CG2 3.71Å; Q140-V159 HydrophobicContact CG-CG1 4.22Å; L143-V159 HydrophobicContact CB-CG1 4.19Å; L143-V159 HydrophobicContact CD2-CB 4.17Å; L143-V159 HydrophobicContact CD2-CG1 3.7Å; L152-V159 HydrophobicContact CD1-CB 4.46Å; L152-V159 HydrophobicContact CD1-CG2 4.19Å; F154-V159 HydrophobicContact CB-CG2 3.95Å; P155-V159 PolarHBondContact O-N 3.43Å; V156-V159 PolarHBondContact O-N 3.22Å; E157-V159 VanDerWaalsContact C-N 3.33Å; E157-V159 PolarHBondContact O-N 3.5Å; V159-E161 VanDerWaalsContact C-N 3.34Å; V159-E161 PolarHBondContact O-N 3.1Å; V159-S162 PolarHBondContact O-N 3.05Å; V159-S162 PolarHBondContact O-OG 2.95Å; V159-L163 HydrophobicContact CG1-CD1 4.5Å; V159-L163 WeakPolarHBondContact O-CG 3.45Å; V159-L163 PolarHBondContact O-N 3.48Å |
| 160 | Q | 88.9 | Confident | 83.6 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58 | -46.1 | 174.6 | -75 | 177.5 | -3.5 | 0 | 0 | 111.7 | Y36 L143 V156 E157 S162 L163 R164 | Y36-Q160 PolarHBondContact OH-OE1 2.95Å; L143-Q160 HydrophobicContact CD2-CG 3.85Å; V156-Q160 HydrophobicContact CG2-CG 4.25Å; V156-Q160 WeakPolarHBondContact O-CB 3.45Å; V156-Q160 VanDerWaalsContact O-CG 3.3Å; V156-Q160 WeakPolarHBondContact O-CG 3.45Å; V156-Q160 PolarHBondContact O-N 3.26Å; E157-Q160 PolarHBondContact O-N 3.28Å; Q160-S162 VanDerWaalsContact C-N 3.31Å; Q160-S162 PolarHBondContact O-N 3.13Å; Q160-L163 WeakPolarHBondContact O-CB 3.49Å; Q160-L163 PolarHBondContact O-N 3.21Å; Q160-L163 VanDerWaalsContact O-N 3.09Å; Q160-R164 WeakPolarHBondContact O-CG 3.37Å; Q160-R164 PolarHBondContact O-N 3.34Å |
| 161 | E | 89.7 | Confident | 81.7 | Confident | 101 Ų | 101 | 57 Ų | 57 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 178.7 | -169.9 | 51.8 | -143.1 | 0 | 0 | 111.6 | E157 R158 V159 L163 R164 A165 | E157-E161 WeakPolarHBondContact O-CB 3.3Å; E157-E161 PolarHBondContact O-N 2.86Å; R158-E161 PolarHBondContact O-N 2.85Å; V159-E161 VanDerWaalsContact C-N 3.34Å; V159-E161 PolarHBondContact O-N 3.1Å; E161-L163 VanDerWaalsContact C-N 3.28Å; E161-L163 PolarHBondContact O-N 3.37Å; E161-R164 PolarHBondContact O-N 3.3Å; E161-R164 IonicContact OE2-NH1 2.65Å; E161-R164 PolarHBondContact OE2-NH1 2.77Å; E161-A165 WeakPolarHBondContact O-CB 3.2Å; E161-A165 PolarHBondContact O-N 3.07Å |
| 162 | S | 87.7 | Confident | 79.8 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -35.2 | 173.9 | 80.5 | 0 | 0 | 0 | 0 | 112.7 | Q140 R158 V159 Q160 L166 | Q140-S162 PolarHBondContact NE2-OG 3.42Å; R158-S162 WeakPolarHBondContact O-CB 3.31Å; R158-S162 PolarHBondContact O-N 3.48Å; V159-S162 PolarHBondContact O-N 3.05Å; V159-S162 PolarHBondContact O-OG 2.95Å; Q160-S162 VanDerWaalsContact C-N 3.31Å; Q160-S162 PolarHBondContact O-N 3.13Å; S162-L166 WeakPolarHBondContact O-CB 3.42Å; S162-L166 VanDerWaalsContact O-CG 3.27Å; S162-L166 WeakPolarHBondContact O-CG 3.11Å; S162-L166 PolarHBondContact O-N 2.94Å |
| 163 | L | 84.4 | Confident | 77.6 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 174.5 | -75.7 | 172.4 | 0 | 0 | 0 | 111.8 | Y33 Q140 L143 V159 Q160 E161 L166 A167 L187 | Y33-L163 WeakPolarHBondContact OH-CD1 3.39Å; Q140-L163 HydrophobicContact CB-CD2 3.61Å; Q140-L163 HydrophobicContact CB-CG 4.21Å; Q140-L163 HydrophobicContact CG-CD2 3.66Å; Q140-L163 HydrophobicContact CG-CG 3.89Å; L143-L163 HydrophobicContact CD2-CD1 3.74Å; L143-L163 HydrophobicContact CG-CD1 4.37Å; V159-L163 HydrophobicContact CG1-CD1 4.5Å; V159-L163 WeakPolarHBondContact O-CG 3.45Å; V159-L163 PolarHBondContact O-N 3.48Å; Q160-L163 WeakPolarHBondContact O-CB 3.49Å; Q160-L163 PolarHBondContact O-N 3.21Å; Q160-L163 VanDerWaalsContact O-N 3.09Å; E161-L163 VanDerWaalsContact C-N 3.28Å; E161-L163 PolarHBondContact O-N 3.37Å; L163-L166 PolarHBondContact O-N 3.36Å; L163-A167 PolarHBondContact O-N 3.48Å; L163-L187 HydrophobicContact CD2-CD1 4.38Å; L163-L187 HydrophobicContact CD2-CD2 3.65Å |
| 164 | R | 84.5 | Confident | 75.2 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 27% | 0.268 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 174.7 | -68.3 | -174.6 | -161.8 | 103.4 | 5.4 | 111.1 | Y36 Q160 E161 L166 A167 L168 | Y36-R164 PolarHBondContact OH-NH2 3.39Å; Q160-R164 WeakPolarHBondContact O-CG 3.37Å; Q160-R164 PolarHBondContact O-N 3.34Å; E161-R164 PolarHBondContact O-N 3.3Å; E161-R164 IonicContact OE2-NH1 2.65Å; E161-R164 PolarHBondContact OE2-NH1 2.77Å; R164-L166 PolarHBondContact O-N 3.29Å; R164-A167 WeakPolarHBondContact O-CA 3.49Å; R164-A167 WeakPolarHBondContact O-CB 3.04Å; R164-A167 PolarHBondContact O-N 2.86Å; R164-L168 WeakPolarHBondContact O-CG 3.41Å; R164-L168 PolarHBondContact O-N 3.26Å |
| 165 | A | 82.1 | Confident | 72.9 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 41% | 0.405 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.8 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E161 G169 | E161-A165 WeakPolarHBondContact O-CB 3.2Å; E161-A165 PolarHBondContact O-N 3.07Å; A165-G169 PolarHBondContact O-N 2.78Å; A165-G169 VanDerWaalsContact O-N 3.09Å |
| 166 | L | 73.5 | Confident | 70.4 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.8 | -30.5 | 173.2 | -75 | 175.4 | 0 | 0 | 0 | 113.7 | S162 L163 R164 R190 H191 | S162-L166 WeakPolarHBondContact O-CB 3.42Å; S162-L166 VanDerWaalsContact O-CG 3.27Å; S162-L166 WeakPolarHBondContact O-CG 3.11Å; S162-L166 PolarHBondContact O-N 2.94Å; L163-L166 PolarHBondContact O-N 3.36Å; R164-L166 PolarHBondContact O-N 3.29Å; L166-R190 VanDerWaalsContact CB-NH2 3.27Å; L166-H191 WeakPolarHBondContact CD1-NE2 3.39Å |
| 167 | A | 71.2 | Confident | 68.3 | Low | 26 Ų | 26 | 65.6 Ų | 65.6 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -74.3 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L163 R164 A172 | L163-A167 PolarHBondContact O-N 3.48Å; R164-A167 WeakPolarHBondContact O-CA 3.49Å; R164-A167 WeakPolarHBondContact O-CB 3.04Å; R164-A167 PolarHBondContact O-N 2.86Å; A167-A172 HydrophobicContact CB-CB 3.95Å; A167-A172 VanDerWaalsContact O-CB 3.28Å; A167-A172 WeakPolarHBondContact O-CB 3.26Å |
| 168 | L | 67 | Low | 65.9 | Low | 148 Ų | 148 | 63.6 Ų | 63.6 | 78% | 0.775 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | 177.9 | -71.3 | 160.7 | 0 | 0 | 0 | 112.2 | R164 G170 | R164-L168 WeakPolarHBondContact O-CG 3.41Å; R164-L168 PolarHBondContact O-N 3.26Å; L168-G170 PolarHBondContact O-N 3.22Å |
| 169 | G | 53.2 | Low | 63.8 | Low | 48 Ų | 48 | 63.4 Ų | 63.4 | 50% | 0.495 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 6.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | A165 | A165-G169 PolarHBondContact O-N 2.78Å; A165-G169 VanDerWaalsContact O-N 3.09Å |
| 170 | G | 51.1 | Low | 61.8 | Low | 25 Ų | 25 | 67.3 Ų | 67.3 | 26% | 0.258 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 147.4 | 116.9 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | L168 A172 | L168-G170 PolarHBondContact O-N 3.22Å; G170-A172 PolarHBondContact O-N 2.97Å |
| 171 | N | 49.5 | Very low | 60.5 | Low | 127 Ų | 127 | 66.5 Ų | 66.5 | 68% | 0.679 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 21.2 | 157.7 | -51.8 | 46 | 0 | 0 | 0 | 116.8 | A173 G174 | N171-A173 PolarHBondContact O-N 3.21Å; N171-G174 PolarHBondContact O-N 3.46Å; N171-G174 VanDerWaalsContact O-N 3.07Å |
| 172 | A | 50.7 | Low | 59.3 | Low | 51 Ų | 51 | 62.1 Ų | 62.1 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -35.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A167 G170 G174 | A167-A172 HydrophobicContact CB-CB 3.95Å; A167-A172 VanDerWaalsContact O-CB 3.28Å; A167-A172 WeakPolarHBondContact O-CB 3.26Å; G170-A172 PolarHBondContact O-N 2.97Å; A172-G174 VanDerWaalsContact C-N 3.29Å; A172-G174 PolarHBondContact O-N 3.43Å |
| 173 | A | 47.7 | Very low | 58.5 | Low | 103 Ų | 103 | 63.5 Ų | 63.5 | 85% | 0.851 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | N171 | N171-A173 PolarHBondContact O-N 3.21Š|
| 174 | G | 41.7 | Very low | 58 | Low | 71 Ų | 71 | 63.3 Ų | 63.3 | 73% | 0.732 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -18 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N171 A172 S176 | N171-G174 PolarHBondContact O-N 3.46Å; N171-G174 VanDerWaalsContact O-N 3.07Å; A172-G174 VanDerWaalsContact C-N 3.29Å; A172-G174 PolarHBondContact O-N 3.43Å; G174-S176 VanDerWaalsContact C-N 3.29Å; G174-S176 PolarHBondContact O-N 2.95Å |
| 175 | A | 46.3 | Very low | 57.2 | Low | 68 Ų | 68 | 62.6 Ų | 62.6 | 56% | 0.562 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -101 | 44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A177 | A175-A177 PolarHBondContact O-N 3.44Š|
| 176 | S | 41.1 | Very low | 56.7 | Low | 85 Ų | 85 | 63 Ų | 63 | 59% | 0.594 | 48% | 0.481 | S | S | * | . | trans | -40.5 | 137.6 | 166.6 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | G174 S178 | G174-S176 VanDerWaalsContact C-N 3.29Å; G174-S176 PolarHBondContact O-N 2.95Å; S176-S178 PolarHBondContact O-N 3.47Å | ||
| 177 | A | 47.2 | Very low | 56.8 | Low | 87 Ų | 87 | 62.9 Ų | 62.9 | 72% | 0.719 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 11.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A175 | A175-A177 PolarHBondContact O-N 3.44Š|
| 178 | S | 43.9 | Very low | 57.2 | Low | 104 Ų | 104 | 65.2 Ų | 65.2 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -29.1 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 114.1 | S176 G180 | S176-S178 PolarHBondContact O-N 3.47Å; S178-G180 VanDerWaalsContact C-N 3.28Å; S178-G180 PolarHBondContact O-N 3.23Å |
| 179 | A | 47.9 | Very low | 57.4 | Low | 88 Ų | 88 | 61.3 Ų | 61.3 | 73% | 0.727 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -73.2 | 95.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | G181 | A179-G181 WeakPolarHBondContact O-CA 3.47Å; A179-G181 PolarHBondContact O-N 3.37Å |
| 180 | G | 49.6 | Very low | 58.4 | Low | 83 Ų | 83 | 61.8 Ų | 61.8 | 86% | 0.856 | 46% | 0.457 | S | S | * | . | trans | -52.1 | 56.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S178 | S178-G180 VanDerWaalsContact C-N 3.28Å; S178-G180 PolarHBondContact O-N 3.23Å | ||
| 181 | G | 60 | Low | 59.7 | Low | 30 Ų | 30 | 62.4 Ų | 62.4 | 31% | 0.309 | 45% | 0.454 | S | S | . | . | trans | -121.1 | 146.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | A179 | A179-G181 WeakPolarHBondContact O-CA 3.47Å; A179-G181 PolarHBondContact O-N 3.37Å | ||
| 182 | S | 64.6 | Low | 61 | Low | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.063 | 44% | 0.443 | C | S | . | . | trans | -50.5 | 144.1 | -179.7 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | R118 V184 L185 A186 | R118-S182 PolarHBondContact NH1-OG 3.04Å; S182-V184 PolarHBondContact O-N 3.21Å; S182-L185 WeakPolarHBondContact O-CB 3.46Å; S182-L185 PolarHBondContact O-N 3.17Å; S182-L185 WeakPolarHBondContact OG-CG 3.35Å; S182-L185 PolarHBondContact OG-N 3.43Å; S182-A186 PolarHBondContact O-N 3Å | ||
| 183 | P | 70.5 | Confident | 62.4 | Low | 47 Ų | 47 | 63.7 Ų | 63.7 | 31% | 0.305 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -52.3 | -30.9 | 176.2 | 21.7 | -34.1 | 0 | 0 | 0 | 112.4 | S144 L185 A186 L187 | S144-P183 WeakPolarHBondContact O-CB 3.36Å; S144-P183 WeakPolarHBondContact O-CG 3.07Å; P183-L185 PolarHBondContact O-N 2.9Å; P183-A186 PolarHBondContact O-N 3.43Å; P183-L187 PolarHBondContact O-N 3.47Å |
| 184 | V | 74.4 | Confident | 64 | Low | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59 | -42.7 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 113.3 | I113 V123 L125 A141 A145 S182 L187 K188 | I113-V184 HydrophobicContact CG2-CB 4.5Å; I113-V184 HydrophobicContact CG2-CG1 3.34Å; I113-V184 HydrophobicContact CG2-CG2 4.36Å; V123-V184 HydrophobicContact CB-CG1 3.85Å; V123-V184 HydrophobicContact CG1-CG1 3.7Å; V123-V184 HydrophobicContact CG2-CG1 4.16Å; L125-V184 HydrophobicContact CD2-CG1 3.97Å; A141-V184 HydrophobicContact CB-CG1 4.28Å; A145-V184 HydrophobicContact CB-CG2 3.6Å; S182-V184 PolarHBondContact O-N 3.21Å; V184-L187 WeakPolarHBondContact O-CB 3.47Å; V184-L187 PolarHBondContact O-N 3.18Å; V184-K188 PolarHBondContact O-N 3.14Å |
| 185 | L | 67.8 | Low | 66 | Low | 57 Ų | 57 | 67.8 Ų | 67.8 | 30% | 0.298 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 178.5 | -77.3 | -176 | 0 | 0 | 0 | 111.6 | V123 S182 P183 L187 K188 S189 | V123-L185 HydrophobicContact CG1-CD2 3.87Å; S182-L185 WeakPolarHBondContact O-CB 3.46Å; S182-L185 PolarHBondContact O-N 3.17Å; S182-L185 WeakPolarHBondContact OG-CG 3.35Å; S182-L185 PolarHBondContact OG-N 3.43Å; P183-L185 PolarHBondContact O-N 2.9Å; L185-L187 VanDerWaalsContact C-N 3.27Å; L185-L187 PolarHBondContact O-N 3.25Å; L185-K188 HydrophobicContact CD2-CD 4.36Å; L185-K188 PolarHBondContact O-N 3.5Å; L185-S189 WeakPolarHBondContact O-CB 3.4Å; L185-S189 PolarHBondContact O-N 3.42Å; L185-S189 PolarHBondContact O-OG 3.48Å |
| 186 | A | 72.8 | Confident | 67.8 | Low | 56 Ų | 56 | 73.6 Ų | 73.6 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S182 P183 S189 R190 | S182-A186 PolarHBondContact O-N 3Å; P183-A186 PolarHBondContact O-N 3.43Å; A186-S189 PolarHBondContact O-N 3.42Å; A186-R190 WeakPolarHBondContact O-CB 3.46Å; A186-R190 PolarHBondContact O-N 3.45Å |
| 187 | L | 75.4 | Confident | 69.9 | Low | 7 Ų | 7 | 75.2 Ų | 75.2 | 4% | 0.037 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 172.6 | -92.4 | 161.3 | 0 | 0 | 0 | 113.3 | Q140 S144 L163 P183 V184 L185 S189 R190 H191 | Q140-L187 HydrophobicContact CB-CD2 4.41Å; Q140-L187 WeakPolarHBondContact O-CD1 3.12Å; S144-L187 WeakPolarHBondContact OG-CD1 3.37Å; L163-L187 HydrophobicContact CD2-CD1 4.38Å; L163-L187 HydrophobicContact CD2-CD2 3.65Å; P183-L187 PolarHBondContact O-N 3.47Å; V184-L187 WeakPolarHBondContact O-CB 3.47Å; V184-L187 PolarHBondContact O-N 3.18Å; L185-L187 VanDerWaalsContact C-N 3.27Å; L185-L187 PolarHBondContact O-N 3.25Å; L187-S189 VanDerWaalsContact C-N 3.35Å; L187-S189 PolarHBondContact O-N 2.85Å; L187-R190 WeakPolarHBondContact O-CB 3.44Å; L187-R190 PolarHBondContact O-N 2.66Å; L187-H191 PolarHBondContact O-N 2.99Å; L187-H191 PolarHBondContact O-ND1 2.95Å |
| 188 | K | 77.9 | Confident | 71.7 | Confident | 76 Ų | 76 | 77.5 Ų | 77.5 | 33% | 0.33 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 177.8 | -177.7 | -167.7 | 173.4 | -168.4 | 0 | 111.3 | V123 W124 V184 L185 R190 H191 S192 | V123-K188 HydrophobicContact CG1-CD 4.17Å; W124-K188 WeakPolarHBondContact O-CD 3.44Å; W124-K188 WeakPolarHBondContact O-CE 3.38Å; V184-K188 PolarHBondContact O-N 3.14Å; L185-K188 HydrophobicContact CD2-CD 4.36Å; L185-K188 PolarHBondContact O-N 3.5Å; K188-R190 VanDerWaalsContact C-N 3.28Å; K188-R190 PolarHBondContact O-N 2.9Å; K188-H191 PolarHBondContact O-N 2.93Å; K188-S192 PolarHBondContact O-N 2.63Å |
| 189 | S | 72.5 | Confident | 73.8 | Confident | 65 Ų | 65 | 79.4 Ų | 79.4 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 177.8 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | L185 A186 L187 S192 K193 | L185-S189 WeakPolarHBondContact O-CB 3.4Å; L185-S189 PolarHBondContact O-N 3.42Å; L185-S189 PolarHBondContact O-OG 3.48Å; A186-S189 PolarHBondContact O-N 3.42Å; L187-S189 VanDerWaalsContact C-N 3.35Å; L187-S189 PolarHBondContact O-N 2.85Å; S189-S192 PolarHBondContact O-N 3.42Å; S189-K193 WeakPolarHBondContact O-CG 3.44Å; S189-K193 PolarHBondContact O-N 3.23Å |
| 190 | R | 74.7 | Confident | 75.6 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 22% | 0.219 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 176.1 | -167.5 | 171.5 | 69.7 | -165.9 | 10.1 | 112.2 | L166 A186 L187 K188 S192 K193 R194 | L166-R190 VanDerWaalsContact CB-NH2 3.27Å; A186-R190 WeakPolarHBondContact O-CB 3.46Å; A186-R190 PolarHBondContact O-N 3.45Å; L187-R190 WeakPolarHBondContact O-CB 3.44Å; L187-R190 PolarHBondContact O-N 2.66Å; K188-R190 VanDerWaalsContact C-N 3.28Å; K188-R190 PolarHBondContact O-N 2.9Å; R190-S192 PolarHBondContact O-N 3.23Å; R190-K193 PolarHBondContact O-N 3.09Å; R190-R194 WeakPolarHBondContact O-CB 3.31Å; R190-R194 PolarHBondContact O-N 3.34Å |
| 191 | H | 77.7 | Confident | 77.5 | Confident | 38 Ų | 38 | 79.5 Ų | 79.5 | 18% | 0.176 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | 176.6 | -77 | 90.4 | 0 | 0 | 0 | 112.4 | Q140 L166 L187 K188 R194 K195 | Q140-H191 PolarHBondContact OE1-CE1 3.31Å; Q140-H191 PolarHBondContact OE1-NE2 2.79Å; L166-H191 WeakPolarHBondContact CD1-NE2 3.39Å; L187-H191 PolarHBondContact O-N 2.99Å; L187-H191 PolarHBondContact O-ND1 2.95Å; K188-H191 PolarHBondContact O-N 2.93Å; H191-R194 PolarHBondContact O-N 2.75Å; H191-K195 WeakPolarHBondContact O-CB 3.47Å; H191-K195 PolarHBondContact O-N 3.47Å |
| 192 | S | 76.8 | Confident | 78.8 | Confident | 65 Ų | 65 | 83.2 Ų | 83.2 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.5 | -50.4 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | K188 S189 R190 R194 K195 R196 | K188-S192 PolarHBondContact O-N 2.63Å; S189-S192 PolarHBondContact O-N 3.42Å; R190-S192 PolarHBondContact O-N 3.23Å; S192-R194 PolarHBondContact O-N 2.97Å; S192-K195 PolarHBondContact O-N 3.29Å; S192-R196 WeakPolarHBondContact O-CG 3.18Å; S192-R196 PolarHBondContact O-N 2.76Å |
| 193 | K | 79.6 | Confident | 79.9 | Confident | 141 Ų | 141 | 88 Ų | 88 | 61% | 0.613 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.2 | -46.4 | 177.9 | -71.8 | 178.1 | -178.6 | -176.4 | 0 | 111.6 | S189 R190 K195 R196 R197 | S189-K193 WeakPolarHBondContact O-CG 3.44Å; S189-K193 PolarHBondContact O-N 3.23Å; R190-K193 PolarHBondContact O-N 3.09Å; K193-K195 PolarHBondContact O-N 3.28Å; K193-R196 PolarHBondContact O-N 3.06Å; K193-R197 WeakPolarHBondContact O-CG 3.36Å; K193-R197 PolarHBondContact O-N 3.36Å |
| 194 | R | 82.6 | Confident | 80.8 | Confident | 142 Ų | 142 | 88.7 Ų | 88.7 | 54% | 0.536 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 179.1 | -168.1 | 175.2 | -177.8 | -138.9 | 3.3 | 112.3 | R190 H191 S192 R197 K198 | R190-R194 WeakPolarHBondContact O-CB 3.31Å; R190-R194 PolarHBondContact O-N 3.34Å; H191-R194 PolarHBondContact O-N 2.75Å; S192-R194 PolarHBondContact O-N 2.97Å; R194-R197 PolarHBondContact O-N 3.05Å; R194-K198 WeakPolarHBondContact O-CB 3.35Å; R194-K198 PolarHBondContact O-N 2.78Å |
| 195 | K | 81.8 | Confident | 81.3 | Confident | 117 Ų | 117 | 91 Ų | 91 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.1 | -171.3 | 173.3 | -175.9 | 171.6 | 0 | 111.4 | T127 H191 S192 K193 K199 | T127-K195 PolarHBondContact O-NZ 3.43Å; H191-K195 WeakPolarHBondContact O-CB 3.47Å; H191-K195 PolarHBondContact O-N 3.47Å; S192-K195 PolarHBondContact O-N 3.29Å; K193-K195 PolarHBondContact O-N 3.28Å; K195-K199 WeakPolarHBondContact O-CB 3.27Å; K195-K199 PolarHBondContact O-N 2.99Å |
| 196 | R | 84.6 | Confident | 82.2 | Confident | 190 Ų | 190 | 91 Ų | 91 | 72% | 0.717 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 175.6 | -68.5 | 179.5 | 85.6 | -176.4 | 5.9 | 111.5 | S192 K193 K199 S200 | S192-R196 WeakPolarHBondContact O-CG 3.18Å; S192-R196 PolarHBondContact O-N 2.76Å; K193-R196 PolarHBondContact O-N 3.06Å; R196-K199 WeakPolarHBondContact O-CB 3.37Å; R196-K199 PolarHBondContact O-N 2.91Å; R196-S200 PolarHBondContact O-N 2.99Å; R196-S200 PolarHBondContact O-OG 3.35Å |
| 197 | R | 85.3 | Confident | 82.7 | Confident | 120 Ų | 120 | 91.5 Ų | 91.5 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 175.8 | -72.5 | -179.8 | 64.6 | 174.4 | 2.5 | 112.3 | K193 R194 K199 S200 E201 | K193-R197 WeakPolarHBondContact O-CG 3.36Å; K193-R197 PolarHBondContact O-N 3.36Å; R194-R197 PolarHBondContact O-N 3.05Å; R197-K199 VanDerWaalsContact C-N 3.27Å; R197-K199 PolarHBondContact O-N 3.25Å; R197-S200 WeakPolarHBondContact CA-OG 3.33Å; R197-S200 PolarHBondContact O-N 3.4Å; R197-S200 VanDerWaalsContact O-N 3.16Å; R197-S200 PolarHBondContact O-OG 3.07Å; R197-E201 WeakPolarHBondContact O-CB 3.45Å; R197-E201 VanDerWaalsContact O-CG 3.27Å; R197-E201 WeakPolarHBondContact O-CG 3.28Å; R197-E201 PolarHBondContact O-N 3.19Å |
| 198 | K | 86.1 | Confident | 83.2 | Confident | 135 Ų | 135 | 94.1 Ų | 94.1 | 59% | 0.587 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62 | -37.3 | 177.3 | -168.3 | 171.2 | -176.5 | 176.7 | 0 | 111.6 | R194 L202 | R194-K198 WeakPolarHBondContact O-CB 3.35Å; R194-K198 PolarHBondContact O-N 2.78Å; K198-L202 HydrophobicContact CG-CD1 4.15Å; K198-L202 HydrophobicContact CG-CG 4.47Å; K198-L202 WeakPolarHBondContact O-CB 3.35Å; K198-L202 WeakPolarHBondContact O-CD1 3.42Å; K198-L202 WeakPolarHBondContact O-CG 3.46Å; K198-L202 PolarHBondContact O-N 2.94Å |
| 199 | K | 86.5 | Confident | 83.2 | Confident | 144 Ų | 144 | 98.2 Ų | 98.2 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -46.5 | 174.1 | -173.6 | 178.1 | 179 | -177.1 | 0 | 111.4 | K195 R196 R197 L202 L203 | K195-K199 WeakPolarHBondContact O-CB 3.27Å; K195-K199 PolarHBondContact O-N 2.99Å; R196-K199 WeakPolarHBondContact O-CB 3.37Å; R196-K199 PolarHBondContact O-N 2.91Å; R197-K199 VanDerWaalsContact C-N 3.27Å; R197-K199 PolarHBondContact O-N 3.25Å; K199-L202 PolarHBondContact O-N 3.47Å; K199-L203 HydrophobicContact CG-CD1 4.16Å; K199-L203 WeakPolarHBondContact O-CB 3.4Å; K199-L203 VanDerWaalsContact O-CG 3.25Å; K199-L203 WeakPolarHBondContact O-CG 3.5Å; K199-L203 PolarHBondContact O-N 3.42Å |
| 200 | S | 86.8 | Confident | 83.6 | Confident | 66 Ų | 66 | 97.2 Ų | 97.2 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | R196 R197 L203 A204 | R196-S200 PolarHBondContact O-N 2.99Å; R196-S200 PolarHBondContact O-OG 3.35Å; R197-S200 WeakPolarHBondContact CA-OG 3.33Å; R197-S200 PolarHBondContact O-N 3.4Å; R197-S200 VanDerWaalsContact O-N 3.16Å; R197-S200 PolarHBondContact O-OG 3.07Å; S200-L203 PolarHBondContact O-N 2.94Å; S200-A204 VanDerWaalsContact O-CB 3.29Å; S200-A204 WeakPolarHBondContact O-CB 3.44Å; S200-A204 PolarHBondContact O-N 3.41Å |
| 201 | E | 89.5 | Confident | 83.6 | Confident | 106 Ų | 106 | 97.4 Ų | 97.4 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.3 | -73.1 | 164.4 | -165.3 | 0 | 0 | 111.5 | R197 A204 A205 | R197-E201 WeakPolarHBondContact O-CB 3.45Å; R197-E201 VanDerWaalsContact O-CG 3.27Å; R197-E201 WeakPolarHBondContact O-CG 3.28Å; R197-E201 PolarHBondContact O-N 3.19Å; E201-A204 PolarHBondContact O-N 3.22Å; E201-A205 VanDerWaalsContact O-CB 3.26Å; E201-A205 WeakPolarHBondContact O-CB 3.45Å; E201-A205 PolarHBondContact O-N 3.43Å |
| 202 | L | 87.1 | Confident | 83.3 | Confident | 109 Ų | 109 | 98.7 Ų | 98.7 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.6 | -40.4 | 174.8 | -72.7 | 170.9 | 0 | 0 | 0 | 112.2 | K198 K199 A205 A206 | K198-L202 HydrophobicContact CG-CD1 4.15Å; K198-L202 HydrophobicContact CG-CG 4.47Å; K198-L202 WeakPolarHBondContact O-CB 3.35Å; K198-L202 WeakPolarHBondContact O-CD1 3.42Å; K198-L202 WeakPolarHBondContact O-CG 3.46Å; K198-L202 PolarHBondContact O-N 2.94Å; K199-L202 PolarHBondContact O-N 3.47Å; L202-A205 PolarHBondContact O-N 2.96Å; L202-A206 VanDerWaalsContact O-CB 3.32Å; L202-A206 WeakPolarHBondContact O-CB 3.25Å; L202-A206 PolarHBondContact O-N 3.27Å |
| 203 | L | 88.4 | Confident | 83 | Confident | 110 Ų | 110 | 98.6 Ų | 98.6 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.9 | -41.2 | 175.1 | -70.6 | 171.9 | 0 | 0 | 0 | 111.5 | K199 S200 A206 A207 | K199-L203 HydrophobicContact CG-CD1 4.16Å; K199-L203 WeakPolarHBondContact O-CB 3.4Å; K199-L203 VanDerWaalsContact O-CG 3.25Å; K199-L203 WeakPolarHBondContact O-CG 3.5Å; K199-L203 PolarHBondContact O-N 3.42Å; S200-L203 PolarHBondContact O-N 2.94Å; L203-A206 PolarHBondContact O-N 2.84Å; L203-A207 WeakPolarHBondContact O-CB 3.42Å; L203-A207 PolarHBondContact O-N 2.85Å |
| 204 | A | 88.1 | Confident | 82.4 | Confident | 60 Ų | 60 | 94.6 Ų | 94.6 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S200 E201 A207 A208 | S200-A204 VanDerWaalsContact O-CB 3.29Å; S200-A204 WeakPolarHBondContact O-CB 3.44Å; S200-A204 PolarHBondContact O-N 3.41Å; E201-A204 PolarHBondContact O-N 3.22Å; A204-A207 PolarHBondContact O-N 3.39Å; A204-A208 WeakPolarHBondContact O-CB 3.17Å; A204-A208 PolarHBondContact O-N 3.35Å |
| 205 | A | 86.3 | Confident | 82 | Confident | 48 Ų | 48 | 90.9 Ų | 90.9 | 40% | 0.397 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E201 L202 K209 | E201-A205 VanDerWaalsContact O-CB 3.26Å; E201-A205 WeakPolarHBondContact O-CB 3.45Å; E201-A205 PolarHBondContact O-N 3.43Å; L202-A205 PolarHBondContact O-N 2.96Å; A205-K209 WeakPolarHBondContact O-CB 3.34Å; A205-K209 WeakPolarHBondContact O-CG 3.45Å; A205-K209 PolarHBondContact O-N 2.85Å |
| 206 | A | 85.4 | Confident | 81.3 | Confident | 59 Ų | 59 | 93.6 Ų | 93.6 | 49% | 0.488 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L202 L203 K209 G210 | L202-A206 VanDerWaalsContact O-CB 3.32Å; L202-A206 WeakPolarHBondContact O-CB 3.25Å; L202-A206 PolarHBondContact O-N 3.27Å; L203-A206 PolarHBondContact O-N 2.84Å; A206-K209 PolarHBondContact O-N 3.17Å; A206-G210 PolarHBondContact O-N 3.41Å |
| 207 | A | 84.6 | Confident | 80.4 | Confident | 65 Ų | 65 | 87.8 Ų | 87.8 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L203 A204 K209 G210 A211 | L203-A207 WeakPolarHBondContact O-CB 3.42Å; L203-A207 PolarHBondContact O-N 2.85Å; A204-A207 PolarHBondContact O-N 3.39Å; A207-K209 PolarHBondContact O-N 3.1Å; A207-G210 PolarHBondContact O-N 2.85Å; A207-A211 WeakPolarHBondContact O-CB 3.49Å; A207-A211 PolarHBondContact O-N 3.2Å |
| 208 | A | 84.2 | Confident | 79.4 | Confident | 62 Ų | 62 | 87.7 Ų | 87.7 | 51% | 0.512 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A204 A211 A212 | A204-A208 WeakPolarHBondContact O-CB 3.17Å; A204-A208 PolarHBondContact O-N 3.35Å; A208-A211 PolarHBondContact O-N 3.19Å; A208-A212 WeakPolarHBondContact O-CB 3.47Å; A208-A212 PolarHBondContact O-N 3.25Å |
| 209 | K | 78.6 | Confident | 78 | Confident | 162 Ų | 162 | 85.7 Ų | 85.7 | 70% | 0.704 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64 | -40.5 | 173.1 | -75.4 | 180 | -179.2 | -176.4 | 0 | 112.1 | A205 A206 A207 A213 | A205-K209 WeakPolarHBondContact O-CB 3.34Å; A205-K209 WeakPolarHBondContact O-CG 3.45Å; A205-K209 PolarHBondContact O-N 2.85Å; A206-K209 PolarHBondContact O-N 3.17Å; A207-K209 PolarHBondContact O-N 3.1Å; K209-A213 WeakPolarHBondContact O-CB 3.45Å; K209-A213 PolarHBondContact O-N 3.11Å |
| 210 | G | 81.4 | Confident | 76.4 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 45% | 0.454 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.3 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A206 A207 A213 A214 | A206-G210 PolarHBondContact O-N 3.41Å; A207-G210 PolarHBondContact O-N 2.85Å; G210-A213 PolarHBondContact O-N 2.85Å; G210-A214 PolarHBondContact O-N 3.48Å |
| 211 | A | 75.3 | Confident | 74.2 | Confident | 63 Ų | 63 | 82.9 Ų | 82.9 | 52% | 0.521 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.6 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A207 A208 A213 A214 A215 | A207-A211 WeakPolarHBondContact O-CB 3.49Å; A207-A211 PolarHBondContact O-N 3.2Å; A208-A211 PolarHBondContact O-N 3.19Å; A211-A213 PolarHBondContact O-N 2.93Å; A211-A214 PolarHBondContact O-N 3.05Å; A211-A215 PolarHBondContact O-N 2.92Å |
| 212 | A | 70.8 | Confident | 71.9 | Confident | 64 Ų | 64 | 81 Ų | 81 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.3 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A208 K216 | A208-A212 WeakPolarHBondContact O-CB 3.47Å; A208-A212 PolarHBondContact O-N 3.25Å; A212-K216 PolarHBondContact O-N 3.09Å; A212-K216 VanDerWaalsContact O-N 3.12Å |
| 213 | A | 70.8 | Confident | 69.8 | Low | 63 Ų | 63 | 87.9 Ų | 87.9 | 52% | 0.521 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.9 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K209 G210 A211 K216 A217 | K209-A213 WeakPolarHBondContact O-CB 3.45Å; K209-A213 PolarHBondContact O-N 3.11Å; G210-A213 PolarHBondContact O-N 2.85Å; A211-A213 PolarHBondContact O-N 2.93Å; A213-K216 PolarHBondContact O-N 2.99Å; A213-A217 PolarHBondContact O-N 2.9Å |
| 214 | A | 66.3 | Low | 67.9 | Low | 58 Ų | 58 | 87.9 Ų | 87.9 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.6 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G210 A211 K216 A217 T218 | G210-A214 PolarHBondContact O-N 3.48Å; A211-A214 PolarHBondContact O-N 3.05Å; A214-K216 VanDerWaalsContact C-N 3.28Å; A214-K216 PolarHBondContact O-N 2.97Å; A214-A217 PolarHBondContact O-N 3.38Å; A214-A217 VanDerWaalsContact O-N 3.16Å; A214-T218 PolarHBondContact O-N 3Å |
| 215 | A | 73.5 | Confident | 66.2 | Low | 63 Ų | 63 | 93.2 Ų | 93.2 | 52% | 0.521 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.5 | -31 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A211 T218 | A211-A215 PolarHBondContact O-N 2.92Å; A215-T218 PolarHBondContact O-OG1 3.15Å |
| 216 | K | 67.3 | Low | 64.3 | Low | 174 Ų | 174 | 98.3 Ų | 98.3 | 76% | 0.757 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.8 | -32.2 | 173.9 | -168.8 | 170.8 | -177 | 175.6 | 0 | 112.4 | A212 A213 A214 | A212-K216 PolarHBondContact O-N 3.09Å; A212-K216 VanDerWaalsContact O-N 3.12Å; A213-K216 PolarHBondContact O-N 2.99Å; A214-K216 VanDerWaalsContact C-N 3.28Å; A214-K216 PolarHBondContact O-N 2.97Å |
| 217 | A | 65.9 | Low | 62.6 | Low | 69 Ų | 69 | 104 Ų | 104 | 57% | 0.57 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.4 | -33.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | A213 A214 | A213-A217 PolarHBondContact O-N 2.9Å; A214-A217 PolarHBondContact O-N 3.38Å; A214-A217 VanDerWaalsContact O-N 3.16Å |
| 218 | T | 64.7 | Low | 60.7 | Low | 117 Ų | 117 | 108.2 Ų | 108.2 | 72% | 0.718 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.4 | -24.5 | 179.6 | 48 | 0 | 0 | 0 | 0 | 113.7 | A214 A215 | A214-T218 PolarHBondContact O-N 3Å; A215-T218 PolarHBondContact O-OG1 3.15Å |
| 219 | A | 57.2 | Low | 58.7 | Low | 93 Ų | 93 | 110 Ų | 110 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -18 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 220 | A | 51.3 | Low | 56.6 | Low | 91 Ų | 91 | 106.9 Ų | 106.9 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -107.5 | -5.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G222 | A220-G222 PolarHBondContact O-N 3.47Š|
| 221 | G | 40.7 | Very low | 54.4 | Low | 61 Ų | 61 | 109.7 Ų | 109.7 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | trans | -104.5 | 79.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115 | R223 | G221-R223 PolarHBondContact O-N 2.83Š| ||
| 222 | G | 41.6 | Very low | 52.5 | Low | 66 Ų | 66 | 111.4 Ų | 111.4 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | trans | -53.2 | 133.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A220 S224 | A220-G222 PolarHBondContact O-N 3.47Å; G222-S224 PolarHBondContact O-N 3.31Å | ||
| 223 | R | 43.2 | Very low | 51.3 | Low | 253 Ų | 253 | 112.8 Ų | 112.8 | 96% | 0.955 | 73% | 0.732 | S | S | * | * | trans | -36 | 96.7 | 177.5 | -173.2 | 174.1 | -176.4 | 158 | -1 | 113.4 | G221 | G221-R223 PolarHBondContact O-N 2.83Š| ||
| 224 | S | 49.4 | Very low | 50.2 | Low | 111 Ų | 111 | 117.3 Ų | 117.3 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -123.7 | 127.8 | 168.6 | -71.6 | 0 | 0 | 0 | 0 | 110 | G222 | G222-S224 PolarHBondContact O-N 3.31Š| ||
| 225 | Q | 51.6 | Low | 49.5 | Very low | 172 Ų | 172 | 123.2 Ų | 123.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -63 | 128.2 | -163.2 | -61.6 | -174.6 | -2.6 | 0 | 0 | 112.6 | K227 | Q225-K227 PolarHBondContact O-N 3.16Å; Q225-K227 VanDerWaalsContact O-N 3.17Å | ||
| 226 | I | 47.3 | Very low | 48.6 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -73.5 | 103 | 173.9 | -60.8 | 163.8 | 0 | 0 | 0 | 107.4 | ||||
| 227 | K | 49.3 | Very low | 48.4 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | -94.2 | 116.4 | 159.1 | -68.9 | -177.1 | -178.9 | 179.4 | 0 | 106.9 | Q225 A229 | Q225-K227 PolarHBondContact O-N 3.16Å; Q225-K227 VanDerWaalsContact O-N 3.17Å; K227-A229 PolarHBondContact O-N 2.9Å | ||
| 228 | N | 44.2 | Very low | 48.2 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -62.3 | 101.8 | 178.8 | -63.7 | -31.1 | 0 | 0 | 0 | 109.6 | ||||
| 229 | A | 41.7 | Very low | 48.5 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -99.7 | 99.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | K227 | K227-A229 PolarHBondContact O-N 2.9Š| ||
| 230 | A | 36.2 | Very low | 49.2 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -69.7 | 155.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 231 | A | 34.6 | Very low | 50.3 | Low | 102 Ų | 102 | 137.7 Ų | 137.7 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 100.1 | 125.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 232 | A | 35.3 | Very low | 51.5 | Low | 99 Ų | 99 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -169.5 | 173.8 | 2.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 233 | A | 44.5 | Very low | 53.1 | Low | 94 Ų | 94 | 146.9 Ų | 146.9 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | 83 | 77.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 234 | E | 48.8 | Very low | 55.1 | Low | 157 Ų | 157 | 142.2 Ų | 142.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | 55.7 | 54.4 | 70.1 | -153.5 | -179 | -175.2 | 0 | 0 | 114 | Q236 | E234-Q236 HydrophobicContact CG-CG 3.93Å; E234-Q236 PolarHBondContact OE1-NE2 3.23Å | |||
| 235 | Q | 50.4 | Low | 56.7 | Low | 182 Ų | 182 | 141.8 Ų | 141.8 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | -87.7 | 101.8 | 143.1 | -68.9 | 176 | 9.9 | 0 | 0 | 105.6 | R237 | Q235-R237 PolarHBondContact O-N 2.82Š| ||
| 236 | Q | 55.1 | Low | 58.4 | Low | 150 Ų | 150 | 135.4 Ų | 135.4 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -61 | 83.4 | 169.1 | -69.5 | 178.6 | -7.5 | 0 | 0 | 107.9 | E234 F238 | E234-Q236 HydrophobicContact CG-CG 3.93Å; E234-Q236 PolarHBondContact OE1-NE2 3.23Å; Q236-F238 PolarHBondContact O-N 3.33Å | ||
| 237 | R | 63.6 | Low | 60.3 | Low | 215 Ų | 215 | 131.2 Ų | 131.2 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | -65.9 | 91.6 | 170.2 | 178.2 | -175.7 | 160.2 | 173 | -6.4 | 105.6 | Q235 V239 | Q235-R237 PolarHBondContact O-N 2.82Å; R237-V239 HydrophobicContact CG-CG2 3.97Å; R237-V239 PolarHBondContact O-N 3.36Å | ||
| 238 | F | 61.8 | Low | 62 | Low | 181 Ų | 181 | 129.7 Ų | 129.7 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | -64.8 | 90.2 | 172.5 | -137.4 | -83.7 | 0 | 0 | 0 | 107.2 | Q236 V240 | Q236-F238 PolarHBondContact O-N 3.33Å; F238-V240 HydrophobicContact CD1-CG2 3.53Å; F238-V240 HydrophobicContact CE1-CG2 4.02Å; F238-V240 PolarHBondContact O-N 2.69Å; F238-V240 VanDerWaalsContact O-N 3.17Å | ||
| 239 | V | 70.9 | Confident | 64.3 | Low | 100 Ų | 100 | 127.4 Ų | 127.4 | 61% | 0.606 | 71% | 0.71 | S | S | * | * | trans | -77 | 96.2 | 167.9 | 178.6 | 0 | 0 | 0 | 0 | 105.3 | R237 E241 | R237-V239 HydrophobicContact CG-CG2 3.97Å; R237-V239 PolarHBondContact O-N 3.36Å; V239-E241 PolarHBondContact O-N 2.9Å | ||
| 240 | V | 72.7 | Confident | 66.3 | Low | 91 Ų | 91 | 128.1 Ų | 128.1 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | trans | -81.6 | 106.5 | 165 | -173.5 | 0 | 0 | 0 | 0 | 106.2 | F238 L242 | F238-V240 HydrophobicContact CD1-CG2 3.53Å; F238-V240 HydrophobicContact CE1-CG2 4.02Å; F238-V240 PolarHBondContact O-N 2.69Å; F238-V240 VanDerWaalsContact O-N 3.17Å; V240-L242 HydrophobicContact CG1-CD2 3.9Å; V240-L242 HydrophobicContact CG1-CG 4.46Å; V240-L242 PolarHBondContact O-N 3.35Å | ||
| 241 | E | 74.1 | Confident | 68.7 | Low | 175 Ų | 175 | 129.4 Ų | 129.4 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -70.5 | 117.2 | 164.6 | -167.8 | 166 | -173.4 | 0 | 0 | 107.1 | V239 | V239-E241 PolarHBondContact O-N 2.9Š| ||
| 242 | L | 65.6 | Low | 71.3 | Confident | 150 Ų | 150 | 129.9 Ų | 129.9 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -93.5 | 115.9 | 176.4 | -65.3 | 172.3 | 0 | 0 | 0 | 106.9 | V240 | V240-L242 HydrophobicContact CG1-CD2 3.9Å; V240-L242 HydrophobicContact CG1-CG 4.46Å; V240-L242 PolarHBondContact O-N 3.35Å | ||
| 243 | E | 74.6 | Confident | 74 | Confident | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 66% | 0.655 | S | S | * | * | trans | -64.7 | 134.4 | 173.6 | -66.2 | -179 | 170.4 | 0 | 0 | 109.8 | L245 | E243-L245 PolarHBondContact O-N 3.48Š| ||
| 244 | D | 85.7 | Confident | 75.9 | Confident | 156 Ų | 156 | 128.9 Ų | 128.9 | 83% | 0.834 | 64% | 0.64 | S | S | * | * | trans | -76.3 | 103.4 | 173 | -171.2 | -1 | 0 | 0 | 0 | 108.5 | G246 | D244-G246 PolarHBondContact O-N 2.84Å; D244-G246 VanDerWaalsContact O-N 3.14Å; D244-G246 PolarHBondContact OD1-N 3.43Å | ||
| 245 | L | 83.3 | Confident | 77.7 | Confident | 102 Ų | 102 | 130.7 Ų | 130.7 | 53% | 0.534 | 64% | 0.64 | S | S | . | * | trans | -69.9 | -2.9 | -178.9 | -58.7 | 175.9 | 0 | 0 | 0 | 113.2 | E243 Y249 | E243-L245 PolarHBondContact O-N 3.48Å; L245-Y249 HydrophobicContact CB-CD1 3.99Å; L245-Y249 HydrophobicContact CB-CG 3.98Å; L245-Y249 HydrophobicContact CD1-CD1 3.69Å; L245-Y249 HydrophobicContact CD1-CE1 3.78Å; L245-Y249 HydrophobicContact CD1-CG 4.12Å; L245-Y249 WeakPolarHBondContact O-CB 3.27Å | ||
| 246 | G | 87.6 | Confident | 79.6 | Confident | 38 Ų | 38 | 125.3 Ų | 125.3 | 39% | 0.392 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | 68.3 | 178 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D244 E248 | D244-G246 PolarHBondContact O-N 2.84Å; D244-G246 VanDerWaalsContact O-N 3.14Å; D244-G246 PolarHBondContact OD1-N 3.43Å; G246-E248 PolarHBondContact O-N 2.82Å |
| 247 | A | 87.3 | Confident | 81.1 | Confident | 66 Ų | 66 | 121.4 Ų | 121.4 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.9 | -28.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y249 L250 E251 | A247-Y249 VanDerWaalsContact C-N 3.35Å; A247-Y249 PolarHBondContact O-N 2.89Å; A247-L250 WeakPolarHBondContact O-CA 3.38Å; A247-L250 VanDerWaalsContact O-CB 3.31Å; A247-L250 WeakPolarHBondContact O-CB 3.32Å; A247-L250 PolarHBondContact O-N 2.91Å; A247-E251 PolarHBondContact O-N 3Å |
| 248 | E | 84.6 | Confident | 82.1 | Confident | 146 Ų | 146 | 117.9 Ų | 117.9 | 68% | 0.682 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -56.7 | -44.5 | -179.8 | -48.2 | -63.8 | 150.2 | 0 | 0 | 111.9 | G246 L250 E251 E252 | G246-E248 PolarHBondContact O-N 2.82Å; E248-L250 PolarHBondContact O-N 3.4Å; E248-E251 PolarHBondContact O-N 2.88Å; E248-E252 PolarHBondContact O-N 3.21Å |
| 249 | Y | 91.2 | Very high | 83 | Confident | 106 Ų | 106 | 113 Ų | 113 | 42% | 0.416 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.5 | -31.4 | 177.1 | -179.6 | -112.9 | 0 | 0 | 0 | 112.3 | L245 A247 E252 L253 | L245-Y249 HydrophobicContact CB-CD1 3.99Å; L245-Y249 HydrophobicContact CB-CG 3.98Å; L245-Y249 HydrophobicContact CD1-CD1 3.69Å; L245-Y249 HydrophobicContact CD1-CE1 3.78Å; L245-Y249 HydrophobicContact CD1-CG 4.12Å; L245-Y249 WeakPolarHBondContact O-CB 3.27Å; A247-Y249 VanDerWaalsContact C-N 3.35Å; A247-Y249 PolarHBondContact O-N 2.89Å; Y249-E252 PolarHBondContact O-N 3.35Å; Y249-L253 HydrophobicContact CD1-CD1 3.93Å; Y249-L253 HydrophobicContact CD1-CG 4.39Å; Y249-L253 HydrophobicContact CE1-CD1 3.49Å; Y249-L253 VanDerWaalsContact CE1-CD1 3.49Å; Y249-L253 HydrophobicContact CE1-CD2 4.49Å; Y249-L253 HydrophobicContact CE1-CG 4.03Å; Y249-L253 HydrophobicContact CE2-CD2 4.44Å; Y249-L253 HydrophobicContact CE2-CG 4.33Å; Y249-L253 VanDerWaalsContact O-CG 3.3Å; Y249-L253 WeakPolarHBondContact O-CG 3.29Å; Y249-L253 PolarHBondContact O-N 3.29Å |
| 250 | L | 85.7 | Confident | 83.2 | Confident | 114 Ų | 114 | 117.4 Ų | 117.4 | 60% | 0.597 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.4 | -37.8 | 178.2 | -154.9 | 132.6 | 0 | 0 | 0 | 111.3 | A247 E248 L253 L254 | A247-L250 WeakPolarHBondContact O-CA 3.38Å; A247-L250 VanDerWaalsContact O-CB 3.31Å; A247-L250 WeakPolarHBondContact O-CB 3.32Å; A247-L250 PolarHBondContact O-N 2.91Å; E248-L250 PolarHBondContact O-N 3.4Å; L250-L253 PolarHBondContact O-N 2.85Å; L250-L254 HydrophobicContact CD2-CD1 4.11Å; L250-L254 WeakPolarHBondContact O-CG 3.35Å; L250-L254 PolarHBondContact O-N 3Å |
| 251 | E | 85.6 | Confident | 82.7 | Confident | 125 Ų | 125 | 118.1 Ų | 118.1 | 58% | 0.584 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.5 | -41.1 | 171.4 | -66.4 | -175.6 | -176.3 | 0 | 0 | 111.6 | A247 E248 L254 R255 | A247-E251 PolarHBondContact O-N 3Å; E248-E251 PolarHBondContact O-N 2.88Å; E251-L254 PolarHBondContact O-N 3.48Å; E251-R255 WeakPolarHBondContact O-CB 3.49Å; E251-R255 PolarHBondContact O-N 3Å |
| 252 | E | 89.8 | Confident | 81.5 | Confident | 111 Ų | 111 | 117.9 Ų | 117.9 | 52% | 0.519 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.6 | -45.9 | 174.7 | -172.9 | 175.4 | -169.1 | 0 | 0 | 111.6 | E248 Y249 L254 R255 I256 | E248-E252 PolarHBondContact O-N 3.21Å; Y249-E252 PolarHBondContact O-N 3.35Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.3Å; E252-R255 WeakPolarHBondContact O-CB 3.26Å; E252-R255 PolarHBondContact O-N 3.49Å; E252-I256 HydrophobicContact CG-CD1 3.97Å; E252-I256 VanDerWaalsContact O-CG1 3.25Å; E252-I256 WeakPolarHBondContact O-CG1 3.43Å; E252-I256 PolarHBondContact O-N 3.37Å |
| 253 | L | 91.1 | Very high | 82.3 | Confident | 81 Ų | 81 | 116.3 Ų | 116.3 | 42% | 0.424 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.3 | -39.7 | 175 | -75.3 | 176.3 | 0 | 0 | 0 | 112.8 | Y249 L250 I256 S257 | Y249-L253 HydrophobicContact CD1-CD1 3.93Å; Y249-L253 HydrophobicContact CD1-CG 4.39Å; Y249-L253 HydrophobicContact CE1-CD1 3.49Å; Y249-L253 VanDerWaalsContact CE1-CD1 3.49Å; Y249-L253 HydrophobicContact CE1-CD2 4.49Å; Y249-L253 HydrophobicContact CE1-CG 4.03Å; Y249-L253 HydrophobicContact CE2-CD2 4.44Å; Y249-L253 HydrophobicContact CE2-CG 4.33Å; Y249-L253 VanDerWaalsContact O-CG 3.3Å; Y249-L253 WeakPolarHBondContact O-CG 3.29Å; Y249-L253 PolarHBondContact O-N 3.29Å; L250-L253 PolarHBondContact O-N 2.85Å; L253-I256 PolarHBondContact O-N 2.97Å; L253-S257 PolarHBondContact O-N 3.38Å |
| 254 | L | 85.6 | Confident | 82.7 | Confident | 92 Ų | 92 | 113.5 Ų | 113.5 | 48% | 0.482 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.6 | -45.6 | 176 | -76 | 167.5 | 0 | 0 | 0 | 110.8 | L250 E251 E252 I256 S257 E258 | L250-L254 HydrophobicContact CD2-CD1 4.11Å; L250-L254 WeakPolarHBondContact O-CG 3.35Å; L250-L254 PolarHBondContact O-N 3Å; E251-L254 PolarHBondContact O-N 3.48Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.3Å; L254-I256 VanDerWaalsContact C-N 3.31Å; L254-I256 PolarHBondContact O-N 2.97Å; L254-S257 PolarHBondContact O-N 3.38Å; L254-S257 PolarHBondContact O-OG 3.12Å; L254-E258 WeakPolarHBondContact O-CG 3.39Å; L254-E258 PolarHBondContact O-N 3.33Å |
| 255 | R | 86.7 | Confident | 82.5 | Confident | 194 Ų | 194 | 111.2 Ų | 111.2 | 73% | 0.732 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.6 | -39.3 | 178 | -155 | -177.3 | -141.1 | 148 | 5 | 112.6 | E251 E252 S257 E258 S259 | E251-R255 WeakPolarHBondContact O-CB 3.49Å; E251-R255 PolarHBondContact O-N 3Å; E252-R255 WeakPolarHBondContact O-CB 3.26Å; E252-R255 PolarHBondContact O-N 3.49Å; R255-S257 VanDerWaalsContact C-N 3.35Å; R255-E258 PolarHBondContact O-N 3.17Å; R255-S259 PolarHBondContact O-N 3.04Å; R255-S259 PolarHBondContact O-OG 2.98Å |
| 256 | I | 89.7 | Confident | 82.5 | Confident | 70 Ų | 70 | 111.7 Ų | 111.7 | 36% | 0.359 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.8 | -41.2 | 174.4 | -68.7 | 166.5 | 0 | 0 | 0 | 110.2 | E252 L253 L254 E258 S259 Y260 | E252-I256 HydrophobicContact CG-CD1 3.97Å; E252-I256 VanDerWaalsContact O-CG1 3.25Å; E252-I256 WeakPolarHBondContact O-CG1 3.43Å; E252-I256 PolarHBondContact O-N 3.37Å; L253-I256 PolarHBondContact O-N 2.97Å; L254-I256 VanDerWaalsContact C-N 3.31Å; L254-I256 PolarHBondContact O-N 2.97Å; I256-E258 VanDerWaalsContact C-N 3.32Å; I256-E258 PolarHBondContact O-N 3.45Å; I256-S259 WeakPolarHBondContact CA-OG 3.5Å; I256-S259 PolarHBondContact O-N 3.04Å; I256-S259 PolarHBondContact O-OG 3.2Å; I256-Y260 HydrophobicContact CG2-CD2 3.86Å; I256-Y260 HydrophobicContact CG2-CE2 3.39Å; I256-Y260 WeakPolarHBondContact O-CD2 3.39Å; I256-Y260 PolarHBondContact O-N 3.16Å |
| 257 | S | 85.4 | Confident | 82.1 | Confident | 68 Ų | 68 | 116.3 Ų | 116.3 | 48% | 0.476 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.8 | -33.9 | 179.1 | 75.3 | 0 | 0 | 0 | 0 | 113.5 | L253 L254 R255 S259 | L253-S257 PolarHBondContact O-N 3.38Å; L254-S257 PolarHBondContact O-N 3.38Å; L254-S257 PolarHBondContact O-OG 3.12Å; R255-S257 VanDerWaalsContact C-N 3.35Å; S257-S259 VanDerWaalsContact C-N 3.35Å |
| 258 | E | 86.2 | Confident | 81.8 | Confident | 140 Ų | 140 | 119.7 Ų | 119.7 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.4 | -35.6 | 175.6 | -70 | 171.7 | -177.3 | 0 | 0 | 111.8 | L254 R255 I256 S261 | L254-E258 WeakPolarHBondContact O-CG 3.39Å; L254-E258 PolarHBondContact O-N 3.33Å; R255-E258 PolarHBondContact O-N 3.17Å; I256-E258 VanDerWaalsContact C-N 3.32Å; I256-E258 PolarHBondContact O-N 3.45Å; E258-S261 WeakPolarHBondContact O-CB 3.4Å; E258-S261 PolarHBondContact O-N 3.48Å |
| 259 | S | 79.4 | Confident | 81.6 | Confident | 79 Ų | 79 | 117.8 Ų | 117.8 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75 | -22.9 | -179.3 | 34.1 | 0 | 0 | 0 | 0 | 113.9 | R255 I256 S257 S261 | R255-S259 PolarHBondContact O-N 3.04Å; R255-S259 PolarHBondContact O-OG 2.98Å; I256-S259 WeakPolarHBondContact CA-OG 3.5Å; I256-S259 PolarHBondContact O-N 3.04Å; I256-S259 PolarHBondContact O-OG 3.2Å; S257-S259 VanDerWaalsContact C-N 3.35Å; S259-S261 PolarHBondContact O-N 3.47Å |
| 260 | Y | 75.2 | Confident | 80.9 | Confident | 192 Ų | 192 | 118.7 Ų | 118.7 | 75% | 0.753 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -5.8 | 170.1 | -76.1 | -70.8 | 0 | 0 | 0 | 114 | I256 | I256-Y260 HydrophobicContact CG2-CD2 3.86Å; I256-Y260 HydrophobicContact CG2-CE2 3.39Å; I256-Y260 WeakPolarHBondContact O-CD2 3.39Å; I256-Y260 PolarHBondContact O-N 3.16Å |
| 261 | S | 61.6 | Low | 80.4 | Confident | 107 Ų | 107 | 119.1 Ų | 119.1 | 75% | 0.748 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 8.4 | 179.9 | -167 | 0 | 0 | 0 | 0 | 114.3 | E258 S259 | E258-S261 WeakPolarHBondContact O-CB 3.4Å; E258-S261 PolarHBondContact O-N 3.48Å; S259-S261 PolarHBondContact O-N 3.47Å |
| 262 | S | 49.2 | Very low | 80 | Confident | 170 Ų | 170 | 118.5 Ų | 118.5 | 100% | 1.189 | 63% | 0.626 | S | S | * | * | trans | -113.7 | 0 | 172.9 | -169.2 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 262 of 262 residues in 215.7 ms
(Link to these results)