| 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 | 51 | Low | 54.9 | Low | 253 Ų | 253 | 146.7 Ų | 146.7 | 100% | 1.246 | 83% | 0.832 | S | S | * | * | 0 | 98.8 | 0 | -62.6 | 150.6 | 102.6 | 0 | 0 | 104.8 | |||||
| 2 | G | 45.7 | Very low | 55.8 | Low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | cis | 114.8 | 46.2 | 36.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | T4 | G2-T4 PolarHBondContact O-N 2.98Š| ||
| 3 | D | 47.6 | Very low | 56.3 | Low | 162 Ų | 162 | 140.5 Ų | 140.5 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -89 | 88 | 179.1 | -152.1 | -84 | 0 | 0 | 0 | 108 | G5 | D3-G5 PolarHBondContact O-N 2.73Š| ||
| 4 | T | 51.3 | Low | 57.2 | Low | 129 Ų | 129 | 136.4 Ų | 136.4 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -78.5 | 98.7 | 171.7 | 50.8 | 0 | 0 | 0 | 0 | 107.8 | G2 S6 | G2-T4 PolarHBondContact O-N 2.98Å; T4-S6 PolarHBondContact O-N 3.26Å | ||
| 5 | G | 50 | Low | 58.4 | Low | 61 Ų | 61 | 134.6 Ų | 134.6 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | trans | -51.4 | 110.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D3 E7 | D3-G5 PolarHBondContact O-N 2.73Å; G5-E7 PolarHBondContact O-N 3.42Å | ||
| 6 | S | 56.9 | Low | 60 | Low | 118 Ų | 118 | 126.4 Ų | 126.4 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | trans | -67.3 | 87 | 168 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | T4 R8 | T4-S6 PolarHBondContact O-N 3.26Å; S6-R8 PolarHBondContact O-N 2.93Å | ||
| 7 | E | 57.4 | Low | 61.3 | Low | 183 Ų | 183 | 126.4 Ų | 126.4 | 86% | 0.855 | 71% | 0.714 | S | S | * | * | trans | -65.6 | 91.9 | 166.9 | -73.5 | -141.1 | 95.8 | 0 | 0 | 107.8 | G5 S9 | G5-E7 PolarHBondContact O-N 3.42Å; E7-S9 PolarHBondContact O-N 3.27Å | ||
| 8 | R | 58.5 | Low | 62.7 | Low | 224 Ų | 224 | 123.3 Ų | 123.3 | 85% | 0.845 | 70% | 0.701 | S | S | * | * | trans | -31.6 | 103.1 | 165 | -175.5 | 173.4 | -171.9 | -120 | 2.2 | 109.6 | S6 K10 | S6-R8 PolarHBondContact O-N 2.93Å; R8-K10 PolarHBondContact O-N 2.75Å | ||
| 9 | S | 60.4 | Low | 63.8 | Low | 109 Ų | 109 | 119.4 Ų | 119.4 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | trans | -53.3 | 99.8 | 173.9 | 39.5 | 0 | 0 | 0 | 0 | 108.6 | E7 | E7-S9 PolarHBondContact O-N 3.27Š| ||
| 10 | K | 62.8 | Low | 64.9 | Low | 179 Ų | 179 | 119.8 Ų | 119.8 | 78% | 0.778 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 123.7 | 173.1 | -66.3 | 170.9 | -175.5 | 168.1 | 0 | 106 | R8 L12 | R8-K10 PolarHBondContact O-N 2.75Å; K10-L12 PolarHBondContact O-N 2.85Å; K10-L12 VanDerWaalsContact O-N 3.08Å |
| 11 | P | 62.5 | Low | 65.8 | Low | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 123.6 | 176.9 | 19.8 | -28.4 | 0 | 0 | 0 | 107.7 | ||
| 12 | L | 65.6 | Low | 67.4 | Low | 145 Ų | 145 | 110.6 Ų | 110.6 | 76% | 0.759 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 132.8 | 177.9 | -69 | 169.4 | 0 | 0 | 0 | 107.8 | K10 | K10-L12 PolarHBondContact O-N 2.85Å; K10-L12 VanDerWaalsContact O-N 3.08Å |
| 13 | P | 62.5 | Low | 69.1 | Low | 68 Ų | 68 | 109.9 Ų | 109.9 | 44% | 0.442 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 141.2 | -175.6 | 22.7 | -32.4 | 0 | 0 | 0 | 109.8 | R15 | P13-R15 PolarHBondContact O-N 2.74Š|
| 14 | P | 68.2 | Low | 70.8 | Confident | 83 Ų | 83 | 107.4 Ų | 107.4 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 136 | -176.5 | 24 | -32.3 | 0 | 0 | 0 | 109.4 | N28 | P14-N28 HydrophobicContact CG-CB 3.91Š|
| 15 | R | 76.3 | Confident | 72.4 | Confident | 109 Ų | 109 | 110.5 Ų | 110.5 | 41% | 0.411 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -77.8 | 144.5 | 177.6 | -59.2 | -51.8 | -179.5 | 105.5 | 0.5 | 109.6 | P13 | P13-R15 PolarHBondContact O-N 2.74Š|
| 16 | C | 84.1 | Confident | 74.1 | Confident | 3 Ų | 3 | 108.8 Ų | 108.8 | 2% | 0.02 | 59% | 0.59 | C | S | . | * | P | Polyproline II helix | trans | -57 | 144.6 | 165.3 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | C18 G19 F20 C30 | C16-C18 PolarHBondContact O-N 3.22Å; C16-C18 PolarHBondContact SG-SG 3.15Å; C16-G19 PolarHBondContact O-N 2.87Å; C16-F20 WeakPolarHBondContact CB-O 3.03Å; C16-F20 PolarHBondContact N-O 3.46Å; C16-C30 PolarHBondContact SG-N 3.48Å |
| 17 | P | 80.8 | Confident | 75.5 | Confident | 126 Ų | 126 | 110.2 Ų | 110.2 | 82% | 0.818 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -21 | 179.2 | -27.4 | 34.4 | 0 | 0 | 0 | 114.5 | G19 | P17-G19 VanDerWaalsContact C-N 3.34Š|
| 18 | C | 86.6 | Confident | 76.8 | Confident | 71 Ų | 71 | 103.7 Ų | 103.7 | 48% | 0.48 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | 4.5 | 175.3 | 69 | 0 | 0 | 0 | 0 | 114.8 | C16 F20 | C16-C18 PolarHBondContact O-N 3.22Å; C16-C18 PolarHBondContact SG-SG 3.15Å; C18-F20 VanDerWaalsContact C-N 3.32Å; C18-F20 PolarHBondContact O-N 3.41Å |
| 19 | G | 83.6 | Confident | 78.3 | Confident | 49 Ų | 49 | 94.4 Ų | 94.4 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | S | Bend | trans | 83.4 | -5.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | C16 P17 | C16-G19 PolarHBondContact O-N 2.87Å; P17-G19 VanDerWaalsContact C-N 3.34Å |
| 20 | F | 86.2 | Confident | 79.7 | Confident | 128 Ų | 128 | 89.7 Ų | 89.7 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -85.5 | 149.5 | 177.2 | -166.9 | -97.8 | 0 | 0 | 0 | 112.1 | C16 C18 G22 C30 | C16-F20 WeakPolarHBondContact CB-O 3.03Å; C16-F20 PolarHBondContact N-O 3.46Å; C18-F20 VanDerWaalsContact C-N 3.32Å; C18-F20 PolarHBondContact O-N 3.41Å; F20-G22 PolarHBondContact O-N 3.44Å; F20-C30 HydrophobicContact CB-CB 3.96Å; F20-C30 HydrophobicContact CD1-CB 3.39Å; F20-C30 HydrophobicContact CE1-CB 4.25Å; F20-C30 HydrophobicContact CG-CB 4.04Å |
| 21 | W | 84.1 | Confident | 80.9 | Confident | 159 Ų | 159 | 85.7 Ų | 85.7 | 60% | 0.602 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 116.1 | 175.1 | -87.9 | -95.9 | 0 | 0 | 0 | 110.4 | ||
| 22 | G | 83.6 | Confident | 82.2 | Confident | 20 Ų | 20 | 87.4 Ų | 87.4 | 21% | 0.206 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 165.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F20 N28 L29 | F20-G22 PolarHBondContact O-N 3.44Å; G22-N28 WeakPolarHBondContact CA-O 3.19Å; G22-L29 WeakPolarHBondContact CA-O 3.06Å |
| 23 | S | 83.2 | Confident | 83.4 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 41% | 0.406 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -100 | 154.1 | 175.8 | 76.1 | 0 | 0 | 0 | 0 | 110.6 | K25 T26 N28 | S23-K25 PolarHBondContact O-N 2.92Å; S23-K25 VanDerWaalsContact O-N 3.16Å; S23-T26 PolarHBondContact N-OG1 2.76Å; S23-T26 PolarHBondContact O-N 3.48Å; S23-T26 VanDerWaalsContact O-N 3.07Å; S23-T26 PolarHBondContact O-OG1 3.4Å; S23-T26 PolarHBondContact OG-N 3.49Å; S23-T26 PolarHBondContact OG-OG1 2.78Å; S23-N28 WeakPolarHBondContact O-CA 3.33Å; S23-N28 PolarHBondContact O-N 3.19Å |
| 24 | S | 82.9 | Confident | 84.7 | Confident | 110 Ų | 110 | 80.8 Ų | 80.8 | 77% | 0.769 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -61.5 | -23.5 | 174.5 | -50.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 25 | K | 84 | Confident | 85.8 | Confident | 194 Ų | 194 | 78.9 Ų | 78.9 | 84% | 0.843 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -71.4 | -27.9 | 176.2 | -170.4 | 173.1 | 179.2 | 178.8 | 0 | 112.9 | S23 | S23-K25 PolarHBondContact O-N 2.92Å; S23-K25 VanDerWaalsContact O-N 3.16Å |
| 26 | T | 86.5 | Confident | 86.5 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 15% | 0.153 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -105.7 | 30.9 | 179.9 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | S23 N28 L29 F34 | S23-T26 PolarHBondContact N-OG1 2.76Å; S23-T26 PolarHBondContact O-N 3.48Å; S23-T26 VanDerWaalsContact O-N 3.07Å; S23-T26 PolarHBondContact O-OG1 3.4Å; S23-T26 PolarHBondContact OG-N 3.49Å; S23-T26 PolarHBondContact OG-OG1 2.78Å; T26-N28 PolarHBondContact O-N 2.92Å; T26-N28 VanDerWaalsContact O-N 3.15Å; T26-L29 WeakPolarHBondContact CB-O 3.36Å; T26-L29 WeakPolarHBondContact O-CB 3.23Å; T26-L29 PolarHBondContact O-N 2.84Å; T26-L29 PolarHBondContact OG1-O 3.08Å; T26-F34 HydrophobicContact CG2-CB 4.29Å; T26-F34 HydrophobicContact CG2-CD1 3.81Å; T26-F34 HydrophobicContact CG2-CD2 4.24Å; T26-F34 HydrophobicContact CG2-CE1 4.16Å; T26-F34 HydrophobicContact CG2-CG 3.84Å; T26-F34 VanDerWaalsContact O-CD2 3.28Å; T26-F34 WeakPolarHBondContact O-CD2 3.32Å |
| 27 | M | 85.8 | Confident | 86.5 | Confident | 148 Ų | 148 | 82.1 Ų | 82.1 | 73% | 0.729 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 36.6 | -175.8 | -57.2 | -162.8 | -173.2 | 0 | 0 | 114.2 | L29 | M27-L29 HydrophobicContact CB-CD1 4.45Å; M27-L29 WeakPolarHBondContact O-CD1 3.46Å; M27-L29 PolarHBondContact O-N 3.09Å |
| 28 | N | 85.8 | Confident | 86.7 | Confident | 46 Ų | 46 | 80.6 Ų | 80.6 | 25% | 0.246 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 16.9 | -175.7 | -48.6 | -71.3 | 0 | 0 | 0 | 115.3 | P14 G22 S23 T26 | P14-N28 HydrophobicContact CG-CB 3.91Å; G22-N28 WeakPolarHBondContact CA-O 3.19Å; S23-N28 WeakPolarHBondContact O-CA 3.33Å; S23-N28 PolarHBondContact O-N 3.19Å; T26-N28 PolarHBondContact O-N 2.92Å; T26-N28 VanDerWaalsContact O-N 3.15Å |
| 29 | L | 88.1 | Confident | 86.6 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 16% | 0.157 | 45% | 0.448 | C | S | . | . | trans | -93.7 | 154.7 | 170.2 | -78.4 | 70.9 | 0 | 0 | 0 | 111.5 | G22 T26 M27 C33 F34 I37 | G22-L29 WeakPolarHBondContact CA-O 3.06Å; T26-L29 WeakPolarHBondContact CB-O 3.36Å; T26-L29 WeakPolarHBondContact O-CB 3.23Å; T26-L29 PolarHBondContact O-N 2.84Å; T26-L29 PolarHBondContact OG1-O 3.08Å; M27-L29 HydrophobicContact CB-CD1 4.45Å; M27-L29 WeakPolarHBondContact O-CD1 3.46Å; M27-L29 PolarHBondContact O-N 3.09Å; L29-C33 HydrophobicContact CB-CB 4.31Å; L29-C33 HydrophobicContact CD2-CB 4.02Å; L29-C33 HydrophobicContact CG-CB 4.42Å; L29-F34 HydrophobicContact CB-CB 4.13Å; L29-I37 HydrophobicContact CD2-CD1 3.28Å; L29-I37 HydrophobicContact CD2-CG1 4.2Å | ||
| 30 | C | 90.9 | Very high | 86.3 | Confident | 10 Ų | 10 | 89.6 Ų | 89.6 | 7% | 0.068 | 46% | 0.458 | C | S | . | . | trans | -70.2 | 161.2 | 170.1 | 76.4 | 0 | 0 | 0 | 0 | 110.7 | C16 F20 K32 C33 F34 | C16-C30 PolarHBondContact SG-N 3.48Å; F20-C30 HydrophobicContact CB-CB 3.96Å; F20-C30 HydrophobicContact CD1-CB 3.39Å; F20-C30 HydrophobicContact CE1-CB 4.25Å; F20-C30 HydrophobicContact CG-CB 4.04Å; C30-K32 PolarHBondContact O-N 3.31Å; C30-K32 VanDerWaalsContact O-N 3.09Å; C30-C33 PolarHBondContact O-N 3.45Å; C30-C33 PolarHBondContact SG-N 3.36Å; C30-C33 PolarHBondContact SG-SG 3.09Å; C30-F34 VanDerWaalsContact O-CB 3.27Å; C30-F34 WeakPolarHBondContact O-CB 3.27Å; C30-F34 PolarHBondContact O-N 3.39Å | ||
| 31 | S | 87.6 | Confident | 85.5 | Confident | 94 Ų | 94 | 89.8 Ų | 89.8 | 66% | 0.657 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -54.9 | -31 | -178.9 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | A35 | S31-A35 WeakPolarHBondContact O-CB 3.23Å; S31-A35 PolarHBondContact O-N 3.07Å |
| 32 | K | 89.8 | Confident | 84.5 | Confident | 159 Ų | 159 | 87.4 Ų | 87.4 | 69% | 0.691 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -75 | -55.3 | 176.4 | -68.3 | -174.1 | 174.2 | -176 | 0 | 112.4 | C30 F34 A35 D36 | C30-K32 PolarHBondContact O-N 3.31Å; C30-K32 VanDerWaalsContact O-N 3.09Å; K32-F34 PolarHBondContact O-N 2.98Å; K32-A35 PolarHBondContact O-N 3.11Å; K32-A35 VanDerWaalsContact O-N 3.15Å; K32-D36 VanDerWaalsContact O-CG 3.29Å; K32-D36 PolarHBondContact O-N 3.5Å |
| 33 | C | 90.6 | Very high | 83.3 | Confident | 30 Ų | 30 | 93 Ų | 93 | 20% | 0.203 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.7 | -28.7 | -179.6 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | L29 C30 I37 | L29-C33 HydrophobicContact CB-CB 4.31Å; L29-C33 HydrophobicContact CD2-CB 4.02Å; L29-C33 HydrophobicContact CG-CB 4.42Å; C30-C33 PolarHBondContact O-N 3.45Å; C30-C33 PolarHBondContact SG-N 3.36Å; C30-C33 PolarHBondContact SG-SG 3.09Å; C33-I37 WeakPolarHBondContact O-CG1 3.18Å; C33-I37 PolarHBondContact O-N 3.49Å |
| 34 | F | 90.6 | Very high | 82.2 | Confident | 44 Ų | 44 | 97.6 Ų | 97.6 | 19% | 0.193 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -67.1 | -48 | 173.5 | -172.9 | -104.8 | 0 | 0 | 0 | 111.2 | T26 L29 C30 K32 D36 I37 E38 | T26-F34 HydrophobicContact CG2-CB 4.29Å; T26-F34 HydrophobicContact CG2-CD1 3.81Å; T26-F34 HydrophobicContact CG2-CD2 4.24Å; T26-F34 HydrophobicContact CG2-CE1 4.16Å; T26-F34 HydrophobicContact CG2-CG 3.84Å; T26-F34 VanDerWaalsContact O-CD2 3.28Å; T26-F34 WeakPolarHBondContact O-CD2 3.32Å; L29-F34 HydrophobicContact CB-CB 4.13Å; C30-F34 VanDerWaalsContact O-CB 3.27Å; C30-F34 WeakPolarHBondContact O-CB 3.27Å; C30-F34 PolarHBondContact O-N 3.39Å; K32-F34 PolarHBondContact O-N 2.98Å; F34-D36 VanDerWaalsContact C-N 3.32Å; F34-D36 PolarHBondContact O-N 3.35Å; F34-I37 PolarHBondContact O-N 2.87Å; F34-E38 HydrophobicContact CD1-CG 4.25Å; F34-E38 WeakPolarHBondContact CD1-OE2 3.35Å; F34-E38 HydrophobicContact CE1-CG 3.9Å; F34-E38 VanDerWaalsContact CE1-OE1 3.25Å; F34-E38 WeakPolarHBondContact CE1-OE1 3.43Å; F34-E38 WeakPolarHBondContact CE1-OE2 3.34Å; F34-E38 HydrophobicContact CE2-CG 4.49Å; F34-E38 HydrophobicContact CZ-CG 4.01Å; F34-E38 WeakPolarHBondContact CZ-OE1 3.33Å; F34-E38 PolarHBondContact O-N 2.97Å |
| 35 | A | 91.8 | Very high | 80.7 | Confident | 44 Ų | 44 | 99.2 Ų | 99.2 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S31 K32 I37 E38 Q39 | S31-A35 WeakPolarHBondContact O-CB 3.23Å; S31-A35 PolarHBondContact O-N 3.07Å; K32-A35 PolarHBondContact O-N 3.11Å; K32-A35 VanDerWaalsContact O-N 3.15Å; A35-I37 VanDerWaalsContact C-N 3.31Å; A35-I37 PolarHBondContact O-N 2.95Å; A35-E38 PolarHBondContact O-N 3.31Å; A35-Q39 VanDerWaalsContact O-CB 3.26Å; A35-Q39 WeakPolarHBondContact O-CB 3.32Å; A35-Q39 PolarHBondContact O-N 3.46Å |
| 36 | D | 89.8 | Confident | 79 | Confident | 101 Ų | 101 | 95.4 Ų | 95.4 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 177.3 | -65.7 | -23.9 | 0 | 0 | 0 | 112.2 | K32 F34 K40 | K32-D36 VanDerWaalsContact O-CG 3.29Å; K32-D36 PolarHBondContact O-N 3.5Å; F34-D36 VanDerWaalsContact C-N 3.32Å; F34-D36 PolarHBondContact O-N 3.35Å; D36-K40 WeakPolarHBondContact O-CB 3.49Å; D36-K40 PolarHBondContact O-N 2.9Å |
| 37 | I | 85.3 | Confident | 76.9 | Confident | 79 Ų | 79 | 100 Ų | 100 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -76.1 | -41.8 | 176.8 | -67.6 | -175.3 | 0 | 0 | 0 | 111.2 | L29 C33 F34 A35 Q39 K40 Q41 | L29-I37 HydrophobicContact CD2-CD1 3.28Å; L29-I37 HydrophobicContact CD2-CG1 4.2Å; C33-I37 WeakPolarHBondContact O-CG1 3.18Å; C33-I37 PolarHBondContact O-N 3.49Å; F34-I37 PolarHBondContact O-N 2.87Å; A35-I37 VanDerWaalsContact C-N 3.31Å; A35-I37 PolarHBondContact O-N 2.95Å; I37-Q39 VanDerWaalsContact C-N 3.35Å; I37-Q39 PolarHBondContact O-N 2.83Å; I37-K40 CarbonylContact O-C 3.55Å; I37-K40 PolarHBondContact O-N 3.47Å; I37-K40 VanDerWaalsContact O-N 3.17Å; I37-Q41 HydrophobicContact CG2-CG 4.3Å; I37-Q41 WeakPolarHBondContact O-CG 3.46Å; I37-Q41 PolarHBondContact O-N 2.98Å |
| 38 | E | 85.1 | Confident | 75 | Confident | 93 Ų | 93 | 98.3 Ų | 98.3 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 176.4 | -75.6 | -171.8 | 126.6 | 0 | 0 | 111.3 | F34 A35 K40 Q41 T42 | F34-E38 HydrophobicContact CD1-CG 4.25Å; F34-E38 WeakPolarHBondContact CD1-OE2 3.35Å; F34-E38 HydrophobicContact CE1-CG 3.9Å; F34-E38 VanDerWaalsContact CE1-OE1 3.25Å; F34-E38 WeakPolarHBondContact CE1-OE1 3.43Å; F34-E38 WeakPolarHBondContact CE1-OE2 3.34Å; F34-E38 HydrophobicContact CE2-CG 4.49Å; F34-E38 HydrophobicContact CZ-CG 4.01Å; F34-E38 WeakPolarHBondContact CZ-OE1 3.33Å; F34-E38 PolarHBondContact O-N 2.97Å; A35-E38 PolarHBondContact O-N 3.31Å; E38-K40 PolarHBondContact O-N 3.21Å; E38-Q41 PolarHBondContact O-N 3Å; E38-T42 PolarHBondContact O-N 3.22Å; E38-T42 PolarHBondContact O-OG1 3.11Å |
| 39 | Q | 82.8 | Confident | 73.6 | Confident | 145 Ų | 145 | 105.5 Ų | 105.5 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.8 | -28.9 | 177.8 | -170.1 | 166.2 | 12.5 | 0 | 0 | 112.2 | A35 I37 T42 | A35-Q39 VanDerWaalsContact O-CB 3.26Å; A35-Q39 WeakPolarHBondContact O-CB 3.32Å; A35-Q39 PolarHBondContact O-N 3.46Å; I37-Q39 VanDerWaalsContact C-N 3.35Å; I37-Q39 PolarHBondContact O-N 2.83Å; Q39-T42 PolarHBondContact O-OG1 3.3Å |
| 40 | K | 78.6 | Confident | 72.1 | Confident | 165 Ų | 165 | 109.3 Ų | 109.3 | 72% | 0.717 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -83.7 | -26.3 | 175.3 | -162.6 | 171.4 | -178.5 | -163.4 | 0 | 113.4 | D36 I37 E38 | D36-K40 WeakPolarHBondContact O-CB 3.49Å; D36-K40 PolarHBondContact O-N 2.9Å; I37-K40 CarbonylContact O-C 3.55Å; I37-K40 PolarHBondContact O-N 3.47Å; I37-K40 VanDerWaalsContact O-N 3.17Å; E38-K40 PolarHBondContact O-N 3.21Å |
| 41 | Q | 69.1 | Low | 69.8 | Low | 131 Ų | 131 | 114 Ų | 114 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.1 | -34.1 | 175.9 | -76.4 | -173.3 | -8.8 | 0 | 0 | 112.6 | I37 E38 D43 E44 D45 | I37-Q41 HydrophobicContact CG2-CG 4.3Å; I37-Q41 WeakPolarHBondContact O-CG 3.46Å; I37-Q41 PolarHBondContact O-N 2.98Å; E38-Q41 PolarHBondContact O-N 3Å; Q41-D43 PolarHBondContact O-N 3.37Å; Q41-E44 PolarHBondContact O-N 3.23Å; Q41-D45 PolarHBondContact O-N 3.46Å |
| 42 | T | 62 | Low | 68.6 | Low | 109 Ų | 109 | 114.9 Ų | 114.9 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -19.5 | 176.7 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | E38 Q39 | E38-T42 PolarHBondContact O-N 3.22Å; E38-T42 PolarHBondContact O-OG1 3.11Å; Q39-T42 PolarHBondContact O-OG1 3.3Å |
| 43 | D | 58.8 | Low | 65.9 | Low | 139 Ų | 139 | 112.7 Ų | 112.7 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -17.5 | 176.8 | -145.1 | -103 | 0 | 0 | 0 | 112.4 | Q41 | Q41-D43 PolarHBondContact O-N 3.37Š|
| 44 | E | 60.7 | Low | 63.4 | Low | 154 Ų | 154 | 118.5 Ų | 118.5 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -109.8 | 13.9 | -175.8 | -101.1 | -83.4 | 113.3 | 0 | 0 | 113.6 | Q41 | Q41-E44 PolarHBondContact O-N 3.23Š|
| 45 | D | 50.7 | Low | 60.7 | Low | 144 Ų | 144 | 119.6 Ų | 119.6 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -107.8 | 18.3 | 170.9 | -164.9 | -120.3 | 0 | 0 | 0 | 112.4 | Q41 | Q41-D45 PolarHBondContact O-N 3.46Š|
| 46 | C | 48.8 | Very low | 58.5 | Low | 113 Ų | 113 | 123 Ų | 123 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -119.6 | 28 | 171.1 | -146.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 47 | T | 42.9 | Very low | 56.4 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | -143.1 | 85.8 | 164.8 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 48 | S | 44.7 | Very low | 54.5 | Low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -102.4 | 98.1 | 161.3 | 25.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 49 | K | 57.4 | Low | 53 | Low | 196 Ų | 196 | 131.6 Ų | 131.6 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | 45.6 | 167.1 | 131 | -79.9 | -179 | -177.7 | 173.7 | 0 | 121.7 | ||||
| 50 | P | 57.2 | Low | 50.6 | Low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -143.4 | 175.3 | -4.4 | 33.5 | -10.2 | 0 | 0 | 0 | 119.1 | ||||
| 51 | S | 42.6 | Very low | 48.4 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 96.5 | 167.5 | 138.9 | 74.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 52 | P | 61.7 | Low | 46.7 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -134.3 | 160 | -84.5 | 38.4 | -20.5 | 0 | 0 | 0 | 115.5 | |||||
| 53 | S | 33.3 | Very low | 45.5 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 166.3 | 115.1 | 149.1 | 31.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 54 | T | 37.2 | Very low | 44.3 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 93% | 0.933 | 78% | 0.781 | S | S | * | * | 93.8 | 119.7 | 77.5 | -61.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 55 | G | 35 | Very low | 43.1 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 107.6 | 93.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 56 | S | 45.4 | Very low | 42.6 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | 53 | 119.2 | 79.1 | -150 | 0 | 0 | 0 | 0 | 112 | |||||
| 57 | S | 46.2 | Very low | 42.5 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | cis | -169.6 | 141 | 49 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 58 | Q | 45.2 | Very low | 43 | Very low | 188 Ų | 188 | 127.3 Ų | 127.3 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | 64.6 | 139.5 | 130 | -56.4 | -165.3 | 12.1 | 0 | 0 | 124.2 | ||||
| 59 | L | 53.3 | Low | 43.1 | Very low | 172 Ų | 172 | 128.8 Ų | 128.8 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -58.4 | 150.9 | 177.8 | -65.3 | 142.2 | 0 | 0 | 0 | 115.7 | ||||
| 60 | S | 30.9 | Very low | 42.6 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -177.7 | 118.9 | 138.3 | 36.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 61 | V | 32.8 | Very low | 42.1 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | 66.6 | 103 | 95.1 | -176.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 62 | F | 33.8 | Very low | 42.3 | Very low | 195 Ų | 195 | 125.3 Ų | 125.3 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | 45.5 | 143.2 | 133.4 | -107.5 | -82.1 | 0 | 0 | 0 | 124.7 | ||||
| 63 | S | 36.3 | Very low | 41.3 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 84.3 | 132.3 | 151.1 | -58.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 64 | G | 34.4 | Very low | 41.6 | Very low | 64 Ų | 64 | 125.9 Ų | 125.9 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | cis | 176.2 | 179 | -0 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 65 | E | 35.5 | Very low | 41.5 | Very low | 187 Ų | 187 | 122.9 Ų | 122.9 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | 73.5 | 131.3 | 147.2 | -34.5 | -170.6 | 129.3 | 0 | 0 | 117.8 | ||||
| 66 | T | 40.1 | Very low | 41.3 | Very low | 120 Ų | 120 | 125 Ų | 125 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | -161.1 | 147.4 | 51.4 | 46 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 67 | S | 47.2 | Very low | 41 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 72.2 | 127.8 | 138.1 | -62.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 68 | S | 52 | Low | 41.7 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -164.9 | 148.2 | 12.4 | -88.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 69 | N | 48.4 | Very low | 41.6 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | 57.7 | 112.4 | 145.2 | -90.1 | 35.8 | 0 | 0 | 0 | 120.4 | ||||
| 70 | S | 45.8 | Very low | 40.5 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | 89.1 | 135.7 | 74.3 | -74.1 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 71 | S | 47.8 | Very low | 40.6 | Very low | 78 Ų | 78 | 120 Ų | 120 | 55% | 0.545 | 74% | 0.739 | S | S | . | * | cis | -175 | 142.5 | 2.7 | -102.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 72 | Q | 45.3 | Very low | 40.6 | Very low | 174 Ų | 174 | 118.6 Ų | 118.6 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | 71.5 | 142.6 | 135.1 | -61.9 | 177.7 | 81.4 | 0 | 0 | 118.3 | ||||
| 73 | S | 42.3 | Very low | 40.5 | Very low | 79 Ų | 79 | 118.1 Ų | 118.1 | 55% | 0.552 | 74% | 0.736 | S | S | * | * | cis | -180 | 141.4 | -5.5 | -100.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 74 | L | 38.8 | Very low | 40.6 | Very low | 157 Ų | 157 | 121 Ų | 121 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | 55.2 | 144.6 | 129.3 | -47.7 | 169.5 | 0 | 0 | 0 | 118.3 | |||||
| 75 | S | 34.4 | Very low | 41.2 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | cis | 169.8 | 168 | -6.7 | 48.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 76 | S | 31.2 | Very low | 40.9 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 91.7 | 96.4 | 152.6 | -40.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 77 | S | 39.2 | Very low | 40.4 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -71.8 | 177.8 | 139.4 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 78 | P | 60.2 | Low | 39.6 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | cis | -122.7 | -165.6 | -42.8 | 35.3 | -15.7 | 0 | 0 | 0 | 109.9 | ||||
| 79 | P | 44.3 | Very low | 38.7 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | -147.6 | 169.8 | 88.1 | 35.8 | -15.8 | 0 | 0 | 0 | 116.1 | |||||
| 80 | T | 29.3 | Very low | 38.1 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -51.6 | 150.6 | 172 | -166.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 81 | S | 33.6 | Very low | 37.5 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | 171 | 152.5 | 114 | -157.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 82 | S | 33.3 | Very low | 37.4 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -29 | 157.6 | 171 | -52.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 83 | E | 32.2 | Very low | 37 | Very low | 184 Ų | 184 | 123.3 Ų | 123.3 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | -178.1 | 153.9 | 59.2 | -150.3 | 173.5 | 87.3 | 0 | 0 | 109.5 | |||||
| 84 | Q | 37.2 | Very low | 37.2 | Very low | 175 Ų | 175 | 124.9 Ų | 124.9 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -79.2 | -171.4 | 156.4 | -65 | -157.7 | -68.1 | 0 | 0 | 109.1 | ||||
| 85 | P | 46.9 | Very low | 36.7 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | -139.3 | 176.2 | -3 | 39.4 | -19 | 0 | 0 | 0 | 115.8 | ||||
| 86 | S | 29.8 | Very low | 36.8 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 176.9 | 116.7 | 144.9 | 32.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 87 | V | 29.1 | Very low | 37.2 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | 49.7 | 113.2 | 83.7 | 22.7 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 88 | S | 31 | Very low | 36.7 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | 158.9 | 118.4 | 129.6 | -64.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 89 | T | 32.6 | Very low | 35.2 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | 57.9 | 120.2 | 98.5 | -28.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 90 | E | 35.3 | Very low | 34.7 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | -165.3 | 152.2 | 86.4 | -51.8 | -68.4 | 81.4 | 0 | 0 | 112.6 | |||||
| 91 | D | 34.3 | Very low | 34.8 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -68.3 | 159.9 | 163.3 | -136.2 | -77.9 | 0 | 0 | 0 | 111 | V93 | D91-V93 PolarHBondContact OD1-N 3.14Š| ||
| 92 | P | 46.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | -153.2 | 151.5 | 85.7 | 35.1 | -13.7 | 0 | 0 | 0 | 117.7 | |||||
| 93 | V | 36.7 | Very low | 34.8 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -80.5 | 141.9 | 159.6 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | D91 | D91-V93 PolarHBondContact OD1-N 3.14Š| ||
| 94 | P | 46.4 | Very low | 35.1 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -157.6 | 148.6 | 94.2 | 36 | -12.2 | 0 | 0 | 0 | 120.3 | |||||
| 95 | T | 28.6 | Very low | 34.9 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 67.3 | 128.7 | 134.2 | -43 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 96 | L | 36.3 | Very low | 34.2 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -54.2 | 156.4 | 168.3 | -92.8 | 125.8 | 0 | 0 | 0 | 116.3 | ||||
| 97 | P | 39.5 | Very low | 34.5 | Very low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | -151.1 | 153.2 | 90.8 | 36.8 | -16.7 | 0 | 0 | 0 | 118.9 | |||||
| 98 | T | 27.6 | Very low | 34.9 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | trans | 19.3 | 151 | 139.5 | -57.5 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 99 | T | 28.8 | Very low | 35.2 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 90.9 | 144.6 | 165.4 | 71.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 100 | Q | 34.6 | Very low | 35.4 | Very low | 172 Ų | 172 | 129.1 Ų | 129.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -171.2 | 144.1 | -8.2 | 157.5 | 179.3 | -4.5 | 0 | 0 | 106.5 | ||||
| 101 | E | 30.7 | Very low | 35.7 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 6.2 | 138.8 | 152 | -56.5 | -105.4 | 95.1 | 0 | 0 | 120.4 | ||||
| 102 | G | 32.2 | Very low | 35.5 | Very low | 77 Ų | 77 | 126.9 Ų | 126.9 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -165.9 | 75.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 103 | V | 35.7 | Very low | 35.2 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -49.5 | 142.6 | 166 | 53.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 104 | S | 38.4 | Very low | 35.2 | Very low | 127 Ų | 127 | 129 Ų | 129 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -160.2 | 110.2 | 145.2 | -82.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 105 | S | 33 | Very low | 34.6 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -91.7 | 144.8 | 166.1 | 167.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 106 | C | 32.6 | Very low | 35.1 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -154.1 | 132.8 | 150 | 42.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 107 | T | 35.7 | Very low | 35.5 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -91.2 | 160.6 | -170.1 | 43.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 108 | E | 37.4 | Very low | 35.2 | Very low | 177 Ų | 177 | 127.4 Ų | 127.4 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | 50 | 152.1 | 140.1 | -78.7 | -150.4 | 47.3 | 0 | 0 | 121.7 | ||||
| 109 | T | 36.7 | Very low | 35.9 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | cis | -174.1 | 162.5 | -9.8 | -74.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 110 | A | 37.6 | Very low | 36.6 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | 95 | 139.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 111 | Q | 40.1 | Very low | 37.5 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | cis | -172.5 | 157.4 | -4.1 | -106.5 | 170.9 | -3.1 | 0 | 0 | 107.6 | ||||
| 112 | G | 29.7 | Very low | 37.5 | Very low | 62 Ų | 62 | 128.4 Ų | 128.4 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | 142 | 98.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 113 | T | 40.1 | Very low | 37.6 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 58.6 | 136.9 | 132.4 | 43.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 114 | L | 37.9 | Very low | 37.7 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | cis | -166.9 | 151.2 | -2.4 | -85.5 | 162.4 | 0 | 0 | 0 | 106.8 | ||||
| 115 | C | 33.8 | Very low | 37.4 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 90% | 0.899 | 78% | 0.776 | S | S | * | * | trans | 176.1 | 104.5 | 136.5 | -96.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 116 | T | 38.1 | Very low | 37.8 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -90.1 | -177.9 | 158.4 | 51.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 117 | P | 46.3 | Very low | 37.7 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -132.5 | 171.6 | -1.2 | 29.8 | -5.8 | 0 | 0 | 0 | 113.6 | ||||
| 118 | T | 32.3 | Very low | 37.9 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | 174.2 | 118 | 88 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 119 | K | 42.8 | Very low | 37.9 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | 57.9 | 140 | 141.7 | -53.6 | -81.8 | -176.3 | 175.6 | 0 | 119 | ||||
| 120 | R | 42.1 | Very low | 37.9 | Very low | 207 Ų | 207 | 128.4 Ų | 128.4 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | cis | -163 | 161.4 | 1.5 | -126.1 | -171.1 | -101.9 | -157.8 | -8.6 | 107.2 | ||||
| 121 | P | 53.8 | Low | 37.9 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -99 | 170.4 | -171.5 | 39.5 | -30.5 | 0 | 0 | 0 | 112.4 | ||||
| 122 | C | 32.1 | Very low | 37.6 | Very low | 136 Ų | 136 | 129 Ų | 129 | 92% | 0.919 | 79% | 0.789 | S | S | * | * | trans | -155.3 | 136.9 | 144.7 | -140.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 123 | E | 33.9 | Very low | 38.2 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -106.9 | 153.2 | -178.6 | -36.9 | -175 | 121.2 | 0 | 0 | 108.3 | ||||
| 124 | S | 38 | Very low | 38.5 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 74.4 | 137.2 | 148.9 | -54.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 125 | A | 32.1 | Very low | 38.8 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 136.1 | 111.7 | 133.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 126 | S | 40.9 | Very low | 39.1 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | -31.8 | 151.4 | 155.6 | -166.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 127 | G | 31.5 | Very low | 39.2 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 105.7 | 113.7 | 139.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 128 | S | 38.5 | Very low | 39 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | 172.5 | 131.4 | 117.5 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 129 | E | 36.9 | Very low | 39.2 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -48.7 | 153 | 166.4 | 60.3 | -130.6 | 82.5 | 0 | 0 | 114.9 | ||||
| 130 | S | 36.7 | Very low | 39.3 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | 172.4 | 131.6 | 113 | -72.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 131 | E | 38 | Very low | 39.3 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -50 | 144.7 | 172 | -59.6 | -83.2 | 105.6 | 0 | 0 | 115.2 | ||||
| 132 | A | 34.6 | Very low | 38.9 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -164 | 97 | 142.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 133 | S | 42.3 | Very low | 39.4 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | -69 | 149.4 | 158.4 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 134 | P | 46.3 | Very low | 39.5 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | -140.2 | 144.3 | 99.7 | 31.2 | -14.1 | 0 | 0 | 0 | 114.4 | |||||
| 135 | E | 43.4 | Very low | 40 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -58.7 | 138.4 | 173.3 | -59.3 | 177.1 | 87.9 | 0 | 0 | 113.5 | ||||
| 136 | K | 40 | Very low | 40.6 | Very low | 194 Ų | 194 | 143 Ų | 143 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -158.7 | 108.2 | 141.1 | -146.6 | 168.5 | -178.2 | 176.7 | 0 | 114.2 | ||||
| 137 | R | 41.7 | Very low | 40.5 | Very low | 199 Ų | 199 | 140.4 Ų | 140.4 | 75% | 0.751 | 78% | 0.781 | S | S | * | * | trans | 72.8 | 99.8 | 143.9 | -169.4 | 166.6 | -96.7 | 178 | -7.9 | 118.3 | ||||
| 138 | A | 41.2 | Very low | 41 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -54.1 | 139.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 139 | R | 37.1 | Very low | 41.5 | Very low | 226 Ų | 226 | 145.8 Ų | 145.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -132.1 | 113.2 | 148.9 | -71.2 | -160.7 | 173.8 | -159.7 | -0.5 | 108.1 | ||||
| 140 | R | 43.7 | Very low | 42.4 | Very low | 243 Ų | 243 | 146.2 Ų | 146.2 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -73.7 | 125.1 | 156.9 | -65.8 | -171.7 | -168.9 | -173.2 | 3.7 | 106.7 | ||||
| 141 | D | 41.7 | Very low | 43.2 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 68% | 0.684 | 79% | 0.788 | S | S | * | * | 85.8 | 122.8 | 102.8 | -160.5 | -84.9 | 0 | 0 | 0 | 112.1 | |||||
| 142 | L | 45.8 | Very low | 43.7 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -173.1 | 95.9 | 148.3 | -98.4 | 139.8 | 0 | 0 | 0 | 109 | ||||
| 143 | E | 43.6 | Very low | 45.1 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | 52.6 | 103.7 | 129.3 | -65 | 174.1 | 91.9 | 0 | 0 | 118.9 | |||||
| 144 | G | 36 | Very low | 46.1 | Very low | 86 Ų | 86 | 146.8 Ų | 146.8 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -116 | 86 | 151.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 145 | E | 47 | Very low | 47.3 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -75 | 114.4 | 172.3 | -147.7 | -63.4 | 91.9 | 0 | 0 | 109.1 | A147 | E145-A147 PolarHBondContact OE1-N 3.29Š| ||
| 146 | A | 46 | Very low | 49.1 | Very low | 90 Ų | 90 | 145 Ų | 145 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | -173.7 | 64.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 147 | A | 39.3 | Very low | 51.3 | Low | 70 Ų | 70 | 137.3 Ų | 137.3 | 58% | 0.579 | 73% | 0.731 | S | S | * | * | trans | -105.7 | 88.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | E145 E149 | E145-A147 PolarHBondContact OE1-N 3.29Å; A147-E149 PolarHBondContact O-N 3.18Å; A147-E149 VanDerWaalsContact O-N 3.14Å | ||
| 148 | S | 41.4 | Very low | 53.5 | Low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -64.3 | 109.4 | 160.8 | -49.3 | 0 | 0 | 0 | 0 | 108.2 | E150 | S148-E150 PolarHBondContact O-N 3.37Š| ||
| 149 | E | 49.8 | Very low | 55.8 | Low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | trans | -64.4 | 107.2 | 175.2 | -70.6 | -77.8 | 110.6 | 0 | 0 | 110.1 | A147 | A147-E149 PolarHBondContact O-N 3.18Å; A147-E149 VanDerWaalsContact O-N 3.14Å | ||
| 150 | E | 54.9 | Low | 58.5 | Low | 171 Ų | 171 | 133.2 Ų | 133.2 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | trans | -122 | 127.4 | 166.3 | -82.5 | -72.3 | 124.6 | 0 | 0 | 109 | S148 S152 | S148-E150 PolarHBondContact O-N 3.37Å; E150-S152 PolarHBondContact O-N 2.96Å | ||
| 151 | P | 53.3 | Low | 60.9 | Low | 115 Ų | 115 | 129.2 Ų | 129.2 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | trans | -84.1 | 111.1 | -177.4 | 32.6 | -29.9 | 0 | 0 | 0 | 110.5 | ||||
| 152 | S | 48.2 | Very low | 63.5 | Low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | trans | 167.5 | 79.3 | 136.5 | 48.5 | 0 | 0 | 0 | 0 | 111.9 | E150 G154 | E150-S152 PolarHBondContact O-N 2.96Å; S152-G154 VanDerWaalsContact C-N 3.29Å; S152-G154 PolarHBondContact O-N 2.87Å; S152-G154 VanDerWaalsContact O-N 3.11Å | ||
| 153 | R | 63.7 | Low | 65.9 | Low | 245 Ų | 245 | 122.2 Ų | 122.2 | 93% | 0.925 | 65% | 0.647 | S | S | * | * | trans | -83.4 | 77 | 164.9 | -62.5 | -167.7 | -161.9 | -150.3 | 6 | 109.7 | ||||
| 154 | G | 64.6 | Low | 68.4 | Low | 45 Ų | 45 | 120.3 Ų | 120.3 | 46% | 0.464 | 64% | 0.635 | S | S | . | * | trans | -67.1 | 163.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S152 K156 | S152-G154 VanDerWaalsContact C-N 3.29Å; S152-G154 PolarHBondContact O-N 2.87Å; S152-G154 VanDerWaalsContact O-N 3.11Å; G154-K156 PolarHBondContact O-N 3.4Å; G154-K156 VanDerWaalsContact O-N 3.09Å | ||
| 155 | P | 71.3 | Confident | 71.2 | Confident | 110 Ų | 110 | 121.4 Ų | 121.4 | 71% | 0.714 | 61% | 0.612 | S | S | * | * | trans | -58.9 | 114.2 | 176.5 | -18.7 | 30.1 | 0 | 0 | 0 | 110.8 | ||||
| 156 | K | 80.6 | Confident | 73.5 | Confident | 163 Ų | 163 | 116.2 Ų | 116.2 | 71% | 0.709 | 59% | 0.593 | S | S | * | * | trans | -88.9 | 145.6 | 177.2 | -63.7 | -178 | -177.6 | -177.6 | 0 | 110.8 | G154 K158 | G154-K156 PolarHBondContact O-N 3.4Å; G154-K156 VanDerWaalsContact O-N 3.09Å; K156-K158 PolarHBondContact O-N 2.94Å | ||
| 157 | Q | 87.5 | Confident | 75.9 | Confident | 33 Ų | 33 | 117.9 Ų | 117.9 | 15% | 0.154 | 59% | 0.585 | C | S | . | * | trans | -65.3 | 120 | 177.4 | -171.4 | 177.3 | -16.4 | 0 | 0 | 111.6 | N159 R162 Y184 | Q157-N159 VanDerWaalsContact C-N 3.33Å; Q157-N159 PolarHBondContact NE2-O 3.12Å; Q157-N159 PolarHBondContact O-N 3.27Å; Q157-R162 PolarHBondContact NE2-O 3.03Å; Q157-Y184 HydrophobicContact CB-CD1 3.87Å; Q157-Y184 HydrophobicContact CB-CE1 4.39Å; Q157-Y184 HydrophobicContact CG-CD1 4.43Å | ||
| 158 | K | 86.4 | Confident | 78.6 | Confident | 218 Ų | 218 | 118.3 Ų | 118.3 | 95% | 0.948 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -62.7 | -38.4 | 178.7 | -59.9 | 176.3 | -176.6 | 179.8 | 0 | 112.5 | K156 | K156-K158 PolarHBondContact O-N 2.94Š|
| 159 | N | 89.3 | Confident | 81.3 | Confident | 103 Ų | 103 | 120.7 Ų | 120.7 | 55% | 0.551 | 58% | 0.576 | S | S | * | * | trans | -117.1 | 88.4 | -174 | -147.3 | -43.8 | 0 | 0 | 0 | 111.3 | Q157 R161 | Q157-N159 VanDerWaalsContact C-N 3.33Å; Q157-N159 PolarHBondContact NE2-O 3.12Å; Q157-N159 PolarHBondContact O-N 3.27Å; N159-R161 PolarHBondContact O-N 3.1Å | ||
| 160 | R | 94.1 | Very high | 83.5 | Confident | 111 Ų | 111 | 112.7 Ų | 112.7 | 42% | 0.419 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -6.6 | -177.3 | -61.8 | -173.7 | 72.6 | -150 | -3.4 | 113.7 | R162 Q175 V185 | R160-R162 VanDerWaalsContact C-N 3.25Å; R160-R162 PolarHBondContact O-N 3.23Å; R160-Q175 WeakPolarHBondContact O-CG 3.5Å; R160-Q175 PolarHBondContact O-NE2 2.74Å; R160-V185 HydrophobicContact CB-CG2 4Å; R160-V185 HydrophobicContact CG-CG2 4.04Å |
| 161 | R | 95.6 | Very high | 85.4 | Confident | 160 Ų | 160 | 111.1 Ų | 111.1 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -2.3 | -175.8 | -64.3 | -175.5 | 179 | -96.2 | 5.3 | 113.8 | N159 L170 | N159-R161 PolarHBondContact O-N 3.1Å; R161-L170 PolarHBondContact O-N 2.96Å |
| 162 | R | 96.4 | Very high | 87.4 | Confident | 130 Ų | 130 | 112.1 Ų | 112.1 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | B | Isolated β-bridge | trans | -131.3 | 149.7 | 177.2 | -86 | -178.4 | 171 | -130 | 8.8 | 110.5 | Q157 R160 Q167 T168 | Q157-R162 PolarHBondContact NE2-O 3.03Å; R160-R162 VanDerWaalsContact C-N 3.25Å; R160-R162 PolarHBondContact O-N 3.23Å; R162-Q167 WeakPolarHBondContact CD-O 3.42Å; R162-Q167 WeakPolarHBondContact CG-O 3.47Å; R162-Q167 PolarHBondContact NE-O 3.42Å; R162-Q167 PolarHBondContact NH1-O 3Å; R162-T168 CarbonylContact C-O 3.56Å; R162-T168 VanDerWaalsContact CA-O 3.23Å; R162-T168 WeakPolarHBondContact CA-O 3.49Å |
| 163 | C | 96.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 111.7 Ų | 111.7 | 1% | 0.007 | 52% | 0.523 | C | S | . | . | trans | -61.6 | 135 | 170.7 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | R165 C166 Q167 T168 L170 V185 C187 | C163-R165 VanDerWaalsContact C-N 3.31Å; C163-R165 PolarHBondContact O-N 3.35Å; C163-R165 PolarHBondContact SG-N 3.21Å; C163-R165 VanDerWaalsContact SG-N 3.41Å; C163-C166 PolarHBondContact SG-SG 3.34Å; C163-Q167 WeakPolarHBondContact O-CA 3.47Å; C163-Q167 PolarHBondContact O-N 3.07Å; C163-T168 PolarHBondContact N-O 3.34Å; C163-L170 HydrophobicContact CB-CD2 4.27Å; C163-V185 CarbonylContact C-O 3.52Å; C163-V185 WeakPolarHBondContact CA-O 3.48Å; C163-C187 HydrophobicContact CB-CB 4.2Å; C163-C187 PolarHBondContact SG-N 3.02Å | ||
| 164 | Y | 95.8 | Very high | 91.2 | Very high | 116 Ų | 116 | 102.2 Ų | 102.2 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -29.4 | 178.2 | -176.1 | -110.3 | 0 | 0 | 0 | 113.4 | Y184 V185 F186 | Y164-Y184 AromaticContact CD1-CD1 3.81Å; Y164-Y184 HydrophobicContact CD1-CD1 3.81Å; Y164-Y184 HydrophobicContact CD1-CD2 4.29Å; Y164-Y184 HydrophobicContact CD1-CE1 4.27Å; Y164-Y184 AromaticContact CD1-CG 3.85Å; Y164-Y184 HydrophobicContact CD1-CG 3.85Å; Y164-Y184 AromaticContact CD2-CD1 3.42Å; Y164-Y184 HydrophobicContact CD2-CD1 3.42Å; Y164-Y184 VanDerWaalsContact CD2-CD1 3.42Å; Y164-Y184 AromaticContact CD2-CE1 3.75Å; Y164-Y184 HydrophobicContact CD2-CE1 3.75Å; Y164-Y184 HydrophobicContact CD2-CG 4.25Å; Y164-Y184 AromaticContact CE1-CD1 3.97Å; Y164-Y184 HydrophobicContact CE1-CD1 3.97Å; Y164-Y184 HydrophobicContact CE1-CD2 4.29Å; Y164-Y184 AromaticContact CE1-CE1 3.95Å; Y164-Y184 HydrophobicContact CE1-CE1 3.95Å; Y164-Y184 HydrophobicContact CE1-CE2 4.27Å; Y164-Y184 HydrophobicContact CE1-CG 4.18Å; Y164-Y184 AromaticContact CE2-CD1 3.6Å; Y164-Y184 HydrophobicContact CE2-CD1 3.6Å; Y164-Y184 AromaticContact CE2-CE1 3.38Å; Y164-Y184 HydrophobicContact CE2-CE1 3.38Å; Y164-Y184 AromaticContact CG-CD1 3.53Å; Y164-Y184 HydrophobicContact CG-CD1 3.53Å; Y164-Y184 HydrophobicContact CG-CE1 4.18Å; Y164-Y184 AromaticContact CG-CG 3.89Å; Y164-Y184 HydrophobicContact CG-CG 3.89Å; Y164-Y184 AromaticContact CZ-CD1 3.87Å; Y164-Y184 AromaticContact CZ-CE1 3.49Å; Y164-Y184 VanDerWaalsContact CZ-CE1 3.49Å; Y164-Y184 AromaticContact CZ-CZ 3.82Å; Y164-V185 PolarHBondContact N-O 3.26Å; Y164-F186 HydrophobicContact CD1-CE1 4.09Å; Y164-F186 HydrophobicContact CD1-CZ 4.29Å; Y164-F186 HydrophobicContact CG-CE1 4.38Å |
| 165 | R | 94.7 | Very high | 92.6 | Very high | 109 Ų | 109 | 101.2 Ų | 101.2 | 41% | 0.411 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -53.6 | -177.9 | -173.9 | 58.7 | 62.8 | 144.8 | -1.3 | 113.4 | C163 F186 H190 H196 D197 | C163-R165 VanDerWaalsContact C-N 3.31Å; C163-R165 PolarHBondContact O-N 3.35Å; C163-R165 PolarHBondContact SG-N 3.21Å; C163-R165 VanDerWaalsContact SG-N 3.41Å; R165-F186 HydrophobicContact CB-CD1 4.31Å; R165-F186 HydrophobicContact CB-CE1 4.37Å; R165-H190 HydrophobicContact CB-CB 4.27Å; R165-H196 PolarHBondContact NH2-O 3.14Å; R165-D197 IonicContact CZ-OD2 2.75Å; R165-D197 VanDerWaalsContact CZ-OD2 3.24Å; R165-D197 IonicContact NH1-OD2 3.98Å; R165-D197 PolarHBondContact NH1-OD2 3.2Å; R165-D197 IonicContact NH2-OD2 2.85Å; R165-D197 PolarHBondContact NH2-OD2 2.89Å |
| 166 | C | 95.5 | Very high | 93.8 | Very high | 51 Ų | 51 | 101.8 Ų | 101.8 | 35% | 0.345 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -1.2 | -176.3 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | C163 T168 C187 H190 | C163-C166 PolarHBondContact SG-SG 3.34Å; C166-T168 PolarHBondContact O-N 3.25Å; C166-T168 PolarHBondContact SG-OG1 2.88Å; C166-C187 VanDerWaalsContact SG-SG 3.66Å; C166-H190 PolarHBondContact SG-ND1 3.15Å |
| 167 | Q | 94.9 | Very high | 94.5 | Very high | 126 Ų | 126 | 99.5 Ų | 99.5 | 59% | 0.589 | 46% | 0.46 | S | S | * | . | trans | 58.2 | 13.5 | -179.9 | -53.3 | -176.8 | 2.8 | 0 | 0 | 115.3 | R162 C163 | R162-Q167 WeakPolarHBondContact CD-O 3.42Å; R162-Q167 WeakPolarHBondContact CG-O 3.47Å; R162-Q167 PolarHBondContact NE-O 3.42Å; R162-Q167 PolarHBondContact NH1-O 3Å; C163-Q167 WeakPolarHBondContact O-CA 3.47Å; C163-Q167 PolarHBondContact O-N 3.07Å | ||
| 168 | T | 96.7 | Very high | 94.8 | Very high | 79 Ų | 79 | 98.1 Ų | 98.1 | 49% | 0.485 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -63 | 140.5 | 173.8 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | R162 C163 C166 L170 | R162-T168 CarbonylContact C-O 3.56Å; R162-T168 VanDerWaalsContact CA-O 3.23Å; R162-T168 WeakPolarHBondContact CA-O 3.49Å; C163-T168 PolarHBondContact N-O 3.34Å; C166-T168 PolarHBondContact O-N 3.25Å; C166-T168 PolarHBondContact SG-OG1 2.88Å; T168-L170 PolarHBondContact O-N 3.24Å |
| 169 | K | 97.3 | Very high | 95.3 | Very high | 166 Ų | 166 | 90.6 Ų | 90.6 | 72% | 0.722 | 43% | 0.43 | S | S | * | . | B | Isolated β-bridge | trans | -63.7 | 132.4 | 175.5 | -171.7 | 179.9 | 179.8 | -173.9 | 0 | 109.6 | ||
| 170 | L | 96.7 | Very high | 95.5 | Very high | 8 Ų | 8 | 86.7 Ų | 86.7 | 4% | 0.042 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 137.8 | -179.8 | -58.7 | 179.3 | 0 | 0 | 0 | 109.9 | R161 C163 T168 Q174 Q175 V185 C187 | R161-L170 PolarHBondContact O-N 2.96Å; C163-L170 HydrophobicContact CB-CD2 4.27Å; T168-L170 PolarHBondContact O-N 3.24Å; L170-Q174 HydrophobicContact CB-CB 4.14Å; L170-Q174 HydrophobicContact CD2-CB 4.23Å; L170-Q175 HydrophobicContact CB-CG 3.79Å; L170-Q175 HydrophobicContact CD1-CG 4.42Å; L170-V185 HydrophobicContact CD1-CB 4.33Å; L170-V185 HydrophobicContact CD1-CG1 3.49Å; L170-V185 VanDerWaalsContact CD1-CG1 3.49Å; L170-C187 HydrophobicContact CD2-CB 3.63Å |
| 171 | E | 95.7 | Very high | 95.4 | Very high | 138 Ų | 138 | 88.5 Ų | 88.5 | 65% | 0.645 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 160.6 | 165.1 | -64.4 | -179.4 | 170.9 | 0 | 0 | 110.7 | V173 Q174 Q175 | E171-V173 PolarHBondContact O-N 3.25Å; E171-Q174 HydrophobicContact CB-CG 4.4Å; E171-Q174 CarbonylContact O-C 3.6Å; E171-Q174 WeakPolarHBondContact O-CA 3.33Å; E171-Q174 WeakPolarHBondContact O-CB 3.49Å; E171-Q174 PolarHBondContact O-N 3.22Å; E171-Q175 WeakPolarHBondContact O-CG 3.37Å; E171-Q175 PolarHBondContact O-N 3.41Å |
| 172 | L | 95 | Very high | 95.3 | Very high | 136 Ų | 136 | 82.4 Ų | 82.4 | 71% | 0.712 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -53.7 | -43.1 | 179.8 | -85.3 | 107.9 | 0 | 0 | 0 | 112.3 | Q174 Q175 E176 | L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 2.89Å; L172-Q175 WeakPolarHBondContact O-CB 3.48Å; L172-Q175 PolarHBondContact O-N 3.42Å; L172-E176 PolarHBondContact O-N 3.35Å |
| 173 | V | 95.3 | Very high | 95.1 | Very high | 97 Ų | 97 | 77.8 Ų | 77.8 | 59% | 0.588 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63 | -41.5 | 177.9 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | E171 Q175 E176 L177 | E171-V173 PolarHBondContact O-N 3.25Å; V173-Q175 VanDerWaalsContact C-N 3.31Å; V173-Q175 PolarHBondContact O-N 2.99Å; V173-E176 PolarHBondContact O-N 3.23Å; V173-L177 HydrophobicContact CG1-CD1 3.7Å; V173-L177 HydrophobicContact CG1-CG 4.31Å; V173-L177 WeakPolarHBondContact O-CB 3.25Å; V173-L177 WeakPolarHBondContact O-CG 3.29Å; V173-L177 PolarHBondContact O-N 3.47Å |
| 174 | Q | 95.4 | Very high | 95.1 | Very high | 46 Ų | 46 | 80.2 Ų | 80.2 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.9 | -29.9 | 177.3 | -68.3 | -177.5 | -43.9 | 0 | 0 | 112.5 | L170 E171 L172 E176 G178 | L170-Q174 HydrophobicContact CB-CB 4.14Å; L170-Q174 HydrophobicContact CD2-CB 4.23Å; E171-Q174 HydrophobicContact CB-CG 4.4Å; E171-Q174 CarbonylContact O-C 3.6Å; E171-Q174 WeakPolarHBondContact O-CA 3.33Å; E171-Q174 WeakPolarHBondContact O-CB 3.49Å; E171-Q174 PolarHBondContact O-N 3.22Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 2.89Å; Q174-E176 VanDerWaalsContact C-N 3.32Å; Q174-G178 VanDerWaalsContact O-CA 3.32Å; Q174-G178 WeakPolarHBondContact O-CA 3.26Å; Q174-G178 PolarHBondContact O-N 2.92Å |
| 175 | Q | 95.4 | Very high | 95.1 | Very high | 24 Ų | 24 | 74.8 Ų | 74.8 | 11% | 0.112 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 175.1 | -69 | -175.5 | -85.5 | 0 | 0 | 112.3 | R160 L170 E171 L172 V173 S179 V185 | R160-Q175 WeakPolarHBondContact O-CG 3.5Å; R160-Q175 PolarHBondContact O-NE2 2.74Å; L170-Q175 HydrophobicContact CB-CG 3.79Å; L170-Q175 HydrophobicContact CD1-CG 4.42Å; E171-Q175 WeakPolarHBondContact O-CG 3.37Å; E171-Q175 PolarHBondContact O-N 3.41Å; L172-Q175 WeakPolarHBondContact O-CB 3.48Å; L172-Q175 PolarHBondContact O-N 3.42Å; V173-Q175 VanDerWaalsContact C-N 3.31Å; V173-Q175 PolarHBondContact O-N 2.99Å; Q175-S179 PolarHBondContact O-N 2.6Å; Q175-V185 HydrophobicContact CB-CG1 4.34Å; Q175-V185 WeakPolarHBondContact O-CG1 3.27Å |
| 176 | E | 94.7 | Very high | 95.2 | Very high | 122 Ų | 122 | 69.6 Ų | 69.6 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -74.7 | -50.6 | 177.9 | -67.2 | -54.1 | 139.4 | 0 | 0 | 111.2 | L172 V173 Q174 G178 S179 | L172-E176 PolarHBondContact O-N 3.35Å; V173-E176 PolarHBondContact O-N 3.23Å; Q174-E176 VanDerWaalsContact C-N 3.32Å; E176-G178 VanDerWaalsContact C-N 3.28Å; E176-G178 PolarHBondContact O-N 3.35Å; E176-S179 WeakPolarHBondContact O-CB 3.45Å; E176-S179 PolarHBondContact O-N 3.22Å; E176-S179 PolarHBondContact O-OG 3.41Å |
| 177 | L | 95.8 | Very high | 95.3 | Very high | 116 Ų | 116 | 67.8 Ų | 67.8 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.7 | -31.1 | 179.5 | -67.6 | 175.1 | 0 | 0 | 0 | 113.5 | V173 S179 | V173-L177 HydrophobicContact CG1-CD1 3.7Å; V173-L177 HydrophobicContact CG1-CG 4.31Å; V173-L177 WeakPolarHBondContact O-CB 3.25Å; V173-L177 WeakPolarHBondContact O-CG 3.29Å; V173-L177 PolarHBondContact O-N 3.47Å; L177-S179 VanDerWaalsContact C-N 3.31Å |
| 178 | G | 95.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 67.3 Ų | 67.3 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q174 E176 C180 V185 F186 | Q174-G178 VanDerWaalsContact O-CA 3.32Å; Q174-G178 WeakPolarHBondContact O-CA 3.26Å; Q174-G178 PolarHBondContact O-N 2.92Å; E176-G178 VanDerWaalsContact C-N 3.28Å; E176-G178 PolarHBondContact O-N 3.35Å; G178-C180 PolarHBondContact O-N 3.17Å; G178-V185 CarbonylContact O-C 3.59Å; G178-V185 WeakPolarHBondContact O-CA 3.48Å; G178-F186 WeakPolarHBondContact CA-O 3.44Å; G178-F186 PolarHBondContact O-N 3.09Å |
| 179 | S | 95.3 | Very high | 95.3 | Very high | 60 Ų | 60 | 69.8 Ų | 69.8 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -70.6 | 117.6 | 177 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | Q175 E176 L177 | Q175-S179 PolarHBondContact O-N 2.6Å; E176-S179 WeakPolarHBondContact O-CB 3.45Å; E176-S179 PolarHBondContact O-N 3.22Å; E176-S179 PolarHBondContact O-OG 3.41Å; L177-S179 VanDerWaalsContact C-N 3.31Å |
| 180 | C | 94.6 | Very high | 95.3 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 14% | 0.142 | 33% | 0.332 | C | S | . | . | trans | -98.7 | 151.8 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | G178 C182 G183 Y184 F186 H196 C198 | G178-C180 PolarHBondContact O-N 3.17Å; C180-C182 VanDerWaalsContact CB-SG 3.56Å; C180-C182 PolarHBondContact O-N 3.21Å; C180-C182 VanDerWaalsContact O-N 3.1Å; C180-C182 PolarHBondContact SG-SG 3.2Å; C180-G183 PolarHBondContact O-N 3.25Å; C180-Y184 PolarHBondContact N-O 3.34Å; C180-F186 HydrophobicContact CB-CD2 3.93Å; C180-F186 HydrophobicContact CB-CE2 3.66Å; C180-H196 VanDerWaalsContact SG-CE1 3.59Å; C180-H196 PolarHBondContact SG-NE2 3.19Å; C180-C198 VanDerWaalsContact SG-SG 3.69Å | ||
| 181 | R | 92.1 | Very high | 95.3 | Very high | 149 Ų | 149 | 70.1 Ų | 70.1 | 56% | 0.562 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.5 | 177.5 | -57.3 | -172.2 | 175.8 | -164.7 | -1 | 113.8 | F200 R205 E209 | R181-F200 HydrophobicContact CB-CD1 3.98Å; R181-F200 HydrophobicContact CB-CG 4.27Å; R181-R205 VanDerWaalsContact CB-NH2 3.3Å; R181-E209 IonicContact NH1-OE2 3.24Å |
| 182 | C | 92.9 | Very high | 95.2 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -6.9 | 170.2 | 67.6 | 0 | 0 | 0 | 0 | 113.7 | C180 Y184 F200 | C180-C182 VanDerWaalsContact CB-SG 3.56Å; C180-C182 PolarHBondContact O-N 3.21Å; C180-C182 VanDerWaalsContact O-N 3.1Å; C180-C182 PolarHBondContact SG-SG 3.2Å; C182-Y184 HydrophobicContact CB-CD2 4.47Å; C182-F200 HydrophobicContact CB-CB 3.8Å |
| 183 | G | 92.1 | Very high | 95.2 | Very high | 34 Ų | 34 | 63.2 Ų | 63.2 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 93.7 | 5.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | C180 | C180-G183 PolarHBondContact O-N 3.25Š|
| 184 | Y | 95.4 | Very high | 95.1 | Very high | 51 Ų | 51 | 67 Ų | 67 | 20% | 0.2 | 34% | 0.337 | C | S | . | . | trans | -107.7 | 161.1 | 175.7 | -61.9 | -73.4 | 0 | 0 | 0 | 111.5 | Q157 Y164 C180 C182 F186 | Q157-Y184 HydrophobicContact CB-CD1 3.87Å; Q157-Y184 HydrophobicContact CB-CE1 4.39Å; Q157-Y184 HydrophobicContact CG-CD1 4.43Å; Y164-Y184 AromaticContact CD1-CD1 3.81Å; Y164-Y184 HydrophobicContact CD1-CD1 3.81Å; Y164-Y184 HydrophobicContact CD1-CD2 4.29Å; Y164-Y184 HydrophobicContact CD1-CE1 4.27Å; Y164-Y184 AromaticContact CD1-CG 3.85Å; Y164-Y184 HydrophobicContact CD1-CG 3.85Å; Y164-Y184 AromaticContact CD2-CD1 3.42Å; Y164-Y184 HydrophobicContact CD2-CD1 3.42Å; Y164-Y184 VanDerWaalsContact CD2-CD1 3.42Å; Y164-Y184 AromaticContact CD2-CE1 3.75Å; Y164-Y184 HydrophobicContact CD2-CE1 3.75Å; Y164-Y184 HydrophobicContact CD2-CG 4.25Å; Y164-Y184 AromaticContact CE1-CD1 3.97Å; Y164-Y184 HydrophobicContact CE1-CD1 3.97Å; Y164-Y184 HydrophobicContact CE1-CD2 4.29Å; Y164-Y184 AromaticContact CE1-CE1 3.95Å; Y164-Y184 HydrophobicContact CE1-CE1 3.95Å; Y164-Y184 HydrophobicContact CE1-CE2 4.27Å; Y164-Y184 HydrophobicContact CE1-CG 4.18Å; Y164-Y184 AromaticContact CE2-CD1 3.6Å; Y164-Y184 HydrophobicContact CE2-CD1 3.6Å; Y164-Y184 AromaticContact CE2-CE1 3.38Å; Y164-Y184 HydrophobicContact CE2-CE1 3.38Å; Y164-Y184 AromaticContact CG-CD1 3.53Å; Y164-Y184 HydrophobicContact CG-CD1 3.53Å; Y164-Y184 HydrophobicContact CG-CE1 4.18Å; Y164-Y184 AromaticContact CG-CG 3.89Å; Y164-Y184 HydrophobicContact CG-CG 3.89Å; Y164-Y184 AromaticContact CZ-CD1 3.87Å; Y164-Y184 AromaticContact CZ-CE1 3.49Å; Y164-Y184 VanDerWaalsContact CZ-CE1 3.49Å; Y164-Y184 AromaticContact CZ-CZ 3.82Å; C180-Y184 PolarHBondContact N-O 3.34Å; C182-Y184 HydrophobicContact CB-CD2 4.47Å; Y184-F186 VanDerWaalsContact CB-CZ 3.46Å; Y184-F186 HydrophobicContact CG-CZ 4.38Å | ||
| 185 | V | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -117.6 | 137.2 | 179.3 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | R160 C163 Y164 L170 Q175 G178 | R160-V185 HydrophobicContact CB-CG2 4Å; R160-V185 HydrophobicContact CG-CG2 4.04Å; C163-V185 CarbonylContact C-O 3.52Å; C163-V185 WeakPolarHBondContact CA-O 3.48Å; Y164-V185 PolarHBondContact N-O 3.26Å; L170-V185 HydrophobicContact CD1-CB 4.33Å; L170-V185 HydrophobicContact CD1-CG1 3.49Å; L170-V185 VanDerWaalsContact CD1-CG1 3.49Å; Q175-V185 HydrophobicContact CB-CG1 4.34Å; Q175-V185 WeakPolarHBondContact O-CG1 3.27Å; G178-V185 CarbonylContact O-C 3.59Å; G178-V185 WeakPolarHBondContact O-CA 3.48Å |
| 186 | F | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | trans | -128.4 | 160.5 | -172.2 | -58.2 | -78.5 | 0 | 0 | 0 | 113.4 | Y164 R165 G178 C180 Y184 H190 H196 | Y164-F186 HydrophobicContact CD1-CE1 4.09Å; Y164-F186 HydrophobicContact CD1-CZ 4.29Å; Y164-F186 HydrophobicContact CG-CE1 4.38Å; R165-F186 HydrophobicContact CB-CD1 4.31Å; R165-F186 HydrophobicContact CB-CE1 4.37Å; G178-F186 WeakPolarHBondContact CA-O 3.44Å; G178-F186 PolarHBondContact O-N 3.09Å; C180-F186 HydrophobicContact CB-CD2 3.93Å; C180-F186 HydrophobicContact CB-CE2 3.66Å; Y184-F186 VanDerWaalsContact CB-CZ 3.46Å; Y184-F186 HydrophobicContact CG-CZ 4.38Å; F186-H190 HydrophobicContact CB-CB 3.94Å; F186-H190 VanDerWaalsContact CB-O 3.23Å; F186-H190 WeakPolarHBondContact CB-O 3.29Å; F186-H190 HydrophobicContact CD1-CB 3.99Å; F186-H190 HydrophobicContact CG-CB 4.3Å; F186-H190 VanDerWaalsContact CG-O 3.27Å; F186-H190 WeakPolarHBondContact CG-O 3.35Å; F186-H196 HydrophobicContact CD1-CB 3.87Å; F186-H196 HydrophobicContact CE1-CB 3.36Å; F186-H196 AromaticContact CE1-CD2 3.92Å; F186-H196 AromaticContact CE1-CG 3.63Å; F186-H196 HydrophobicContact CE2-CB 4.33Å; F186-H196 AromaticContact CE2-CD2 3.43Å; F186-H196 VanDerWaalsContact CE2-CD2 3.43Å; F186-H196 WeakPolarHBondContact CE2-CD2 3.06Å; F186-H196 AromaticContact CE2-CE1 3.71Å; F186-H196 AromaticContact CE2-CG 3.65Å; F186-H196 AromaticContact CE2-ND1 3.83Å; F186-H196 AromaticContact CE2-NE2 3.46Å; F186-H196 WeakPolarHBondContact CE2-NE2 3.43Å; F186-H196 HydrophobicContact CZ-CB 3.64Å; F186-H196 AromaticContact CZ-CD2 3.18Å; F186-H196 WeakPolarHBondContact CZ-CD2 3.34Å; F186-H196 AromaticContact CZ-CG 3.36Å; F186-H196 AromaticContact CZ-NE2 3.76Å | ||
| 187 | C | 97.1 | Very high | 94.9 | Very high | 12 Ų | 12 | 66.6 Ų | 66.6 | 8% | 0.081 | 34% | 0.338 | C | S | . | . | trans | -78.8 | 174.5 | 167.8 | 64.7 | 0 | 0 | 0 | 0 | 110.4 | C163 C166 L170 L189 H190 R191 | C163-C187 HydrophobicContact CB-CB 4.2Å; C163-C187 PolarHBondContact SG-N 3.02Å; C166-C187 VanDerWaalsContact SG-SG 3.66Å; L170-C187 HydrophobicContact CD2-CB 3.63Å; C187-L189 PolarHBondContact O-N 3.33Å; C187-L189 VanDerWaalsContact O-N 3.11Å; C187-H190 CarbonylContact O-C 3.57Å; C187-H190 PolarHBondContact O-N 3.41Å; C187-H190 PolarHBondContact SG-ND1 2.92Å; C187-R191 PolarHBondContact O-N 3.26Å; C187-R191 VanDerWaalsContact O-N 3.12Å | ||
| 188 | M | 95.4 | Very high | 94.8 | Very high | 117 Ų | 117 | 62.2 Ų | 62.2 | 58% | 0.576 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -25.9 | -178.9 | -61 | -153.7 | -58.9 | 0 | 0 | 114 | ||
| 189 | L | 96.7 | Very high | 94.6 | Very high | 130 Ų | 130 | 70.1 Ų | 70.1 | 68% | 0.681 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -14.4 | 177.8 | -58.7 | 178.9 | 0 | 0 | 0 | 113.7 | C187 Q195 | C187-L189 PolarHBondContact O-N 3.33Å; C187-L189 VanDerWaalsContact O-N 3.11Å; L189-Q195 VanDerWaalsContact C-OE1 3.32Å; L189-Q195 PolarHBondContact O-NE2 3.5Å; L189-Q195 VanDerWaalsContact O-NE2 3.14Å; L189-Q195 PolarHBondContact O-OE1 2.87Å |
| 190 | H | 96.8 | Very high | 94.5 | Very high | 42 Ų | 42 | 69.4 Ų | 69.4 | 19% | 0.194 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -122.5 | 13.7 | -178.2 | -60.9 | 120.3 | 0 | 0 | 0 | 112.9 | R165 C166 F186 C187 Q195 H196 | R165-H190 HydrophobicContact CB-CB 4.27Å; C166-H190 PolarHBondContact SG-ND1 3.15Å; F186-H190 HydrophobicContact CB-CB 3.94Å; F186-H190 VanDerWaalsContact CB-O 3.23Å; F186-H190 WeakPolarHBondContact CB-O 3.29Å; F186-H190 HydrophobicContact CD1-CB 3.99Å; F186-H190 HydrophobicContact CG-CB 4.3Å; F186-H190 VanDerWaalsContact CG-O 3.27Å; F186-H190 WeakPolarHBondContact CG-O 3.35Å; C187-H190 CarbonylContact O-C 3.57Å; C187-H190 PolarHBondContact O-N 3.41Å; C187-H190 PolarHBondContact SG-ND1 2.92Å; H190-Q195 HydrophobicContact CB-CB 4.49Å; H190-Q195 PolarHBondContact CD2-O 2.97Å; H190-H196 PolarHBondContact O-ND1 2.96Å; H190-H196 VanDerWaalsContact O-ND1 3.09Å |
| 191 | R | 96.3 | Very high | 94.4 | Very high | 139 Ų | 139 | 72.9 Ų | 72.9 | 53% | 0.525 | 36% | 0.364 | S | S | . | . | trans | -73.1 | -29.4 | -174.9 | 80.7 | 178.6 | -172.4 | -165.2 | -0.5 | 113 | C187 | C187-R191 PolarHBondContact O-N 3.26Å; C187-R191 VanDerWaalsContact O-N 3.12Å | ||
| 192 | L | 94.9 | Very high | 94.4 | Very high | 80 Ų | 80 | 69.4 Ų | 69.4 | 42% | 0.419 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -78.1 | 147 | -176.7 | -65.5 | 162.4 | 0 | 0 | 0 | 109.9 | E194 Q195 H196 | L192-E194 PolarHBondContact O-N 2.9Å; L192-Q195 HydrophobicContact CB-CG 3.99Å; L192-Q195 WeakPolarHBondContact O-CB 3.34Å; L192-Q195 PolarHBondContact O-N 3.33Å; L192-H196 PolarHBondContact O-CE1 2.9Å; L192-H196 PolarHBondContact O-ND1 3.5Å |
| 193 | P | 94.3 | Very high | 94.4 | Very high | 49 Ų | 49 | 74.7 Ų | 74.7 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -53.5 | -37.7 | -178.5 | -28.8 | 36.6 | 0 | 0 | 0 | 114.3 | Q195 H196 D197 C198 | P193-Q195 VanDerWaalsContact C-N 3.26Å; P193-Q195 PolarHBondContact O-N 3.38Å; P193-H196 PolarHBondContact O-N 3.06Å; P193-D197 PolarHBondContact O-N 2.96Å; P193-C198 HydrophobicContact CB-CB 3.69Å; P193-C198 PolarHBondContact O-N 3.37Å; P193-C198 VanDerWaalsContact O-N 3.07Å |
| 194 | E | 93.5 | Very high | 94.5 | Very high | 177 Ų | 177 | 74 Ų | 74 | 83% | 0.827 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -67.9 | -23.8 | 179.2 | -62.1 | 172.6 | 179.5 | 0 | 0 | 113 | L192 | L192-E194 PolarHBondContact O-N 2.9Š|
| 195 | Q | 95.8 | Very high | 94.4 | Very high | 69 Ų | 69 | 75.4 Ų | 75.4 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -88.8 | -5.9 | -175.6 | -59.8 | 170.4 | -36.2 | 0 | 0 | 112.9 | L189 H190 L192 P193 | L189-Q195 VanDerWaalsContact C-OE1 3.32Å; L189-Q195 PolarHBondContact O-NE2 3.5Å; L189-Q195 VanDerWaalsContact O-NE2 3.14Å; L189-Q195 PolarHBondContact O-OE1 2.87Å; H190-Q195 HydrophobicContact CB-CB 4.49Å; H190-Q195 PolarHBondContact CD2-O 2.97Å; L192-Q195 HydrophobicContact CB-CG 3.99Å; L192-Q195 WeakPolarHBondContact O-CB 3.34Å; L192-Q195 PolarHBondContact O-N 3.33Å; P193-Q195 VanDerWaalsContact C-N 3.26Å; P193-Q195 PolarHBondContact O-N 3.38Å |
| 196 | H | 93.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 77.1 Ų | 77.1 | 4% | 0.037 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | 19.8 | -178.5 | 68.7 | -94.3 | 0 | 0 | 0 | 114.1 | R165 C180 F186 H190 L192 P193 C198 | R165-H196 PolarHBondContact NH2-O 3.14Å; C180-H196 VanDerWaalsContact SG-CE1 3.59Å; C180-H196 PolarHBondContact SG-NE2 3.19Å; F186-H196 HydrophobicContact CD1-CB 3.87Å; F186-H196 HydrophobicContact CE1-CB 3.36Å; F186-H196 AromaticContact CE1-CD2 3.92Å; F186-H196 AromaticContact CE1-CG 3.63Å; F186-H196 HydrophobicContact CE2-CB 4.33Å; F186-H196 AromaticContact CE2-CD2 3.43Å; F186-H196 VanDerWaalsContact CE2-CD2 3.43Å; F186-H196 WeakPolarHBondContact CE2-CD2 3.06Å; F186-H196 AromaticContact CE2-CE1 3.71Å; F186-H196 AromaticContact CE2-CG 3.65Å; F186-H196 AromaticContact CE2-ND1 3.83Å; F186-H196 AromaticContact CE2-NE2 3.46Å; F186-H196 WeakPolarHBondContact CE2-NE2 3.43Å; F186-H196 HydrophobicContact CZ-CB 3.64Å; F186-H196 AromaticContact CZ-CD2 3.18Å; F186-H196 WeakPolarHBondContact CZ-CD2 3.34Å; F186-H196 AromaticContact CZ-CG 3.36Å; F186-H196 AromaticContact CZ-NE2 3.76Å; H190-H196 PolarHBondContact O-ND1 2.96Å; H190-H196 VanDerWaalsContact O-ND1 3.09Å; L192-H196 PolarHBondContact O-CE1 2.9Å; L192-H196 PolarHBondContact O-ND1 3.5Å; P193-H196 PolarHBondContact O-N 3.06Å; H196-C198 VanDerWaalsContact C-N 3.31Å; H196-C198 VanDerWaalsContact NE2-CB 3.32Å; H196-C198 WeakPolarHBondContact NE2-CB 3.25Å; H196-C198 PolarHBondContact NE2-SG 2.88Å; H196-C198 PolarHBondContact O-N 3.27Å |
| 197 | D | 91.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 85.6 Ų | 85.6 | 57% | 0.567 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 55.9 | -179.2 | -49.8 | -51.9 | 0 | 0 | 0 | 110.8 | R165 P193 L199 | R165-D197 IonicContact CZ-OD2 2.75Å; R165-D197 VanDerWaalsContact CZ-OD2 3.24Å; R165-D197 IonicContact NH1-OD2 3.98Å; R165-D197 PolarHBondContact NH1-OD2 3.2Å; R165-D197 IonicContact NH2-OD2 2.85Å; R165-D197 PolarHBondContact NH2-OD2 2.89Å; P193-D197 PolarHBondContact O-N 2.96Å; D197-L199 PolarHBondContact O-N 3.45Å; D197-L199 VanDerWaalsContact O-N 3.08Å |
| 198 | C | 93.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 90.7 Ų | 90.7 | 17% | 0.169 | 45% | 0.45 | C | S | . | . | trans | -58.9 | 117 | -175 | -168.5 | 0 | 0 | 0 | 0 | 110.9 | C180 P193 H196 F200 H202 | C180-C198 VanDerWaalsContact SG-SG 3.69Å; P193-C198 HydrophobicContact CB-CB 3.69Å; P193-C198 PolarHBondContact O-N 3.37Å; P193-C198 VanDerWaalsContact O-N 3.07Å; H196-C198 VanDerWaalsContact C-N 3.31Å; H196-C198 VanDerWaalsContact NE2-CB 3.32Å; H196-C198 WeakPolarHBondContact NE2-CB 3.25Å; H196-C198 PolarHBondContact NE2-SG 2.88Å; H196-C198 PolarHBondContact O-N 3.27Å; C198-F200 PolarHBondContact O-N 3.27Å; C198-F200 VanDerWaalsContact SG-CB 3.57Å; C198-H202 PolarHBondContact SG-NE2 2.94Å | ||
| 199 | L | 90.9 | Very high | 94.1 | Very high | 170 Ų | 170 | 88.7 Ų | 88.7 | 89% | 0.89 | 44% | 0.44 | S | S | * | . | trans | -78.9 | 1.3 | 176.5 | -58.9 | 178.7 | 0 | 0 | 0 | 113.1 | D197 | D197-L199 PolarHBondContact O-N 3.45Å; D197-L199 VanDerWaalsContact O-N 3.08Å | ||
| 200 | F | 93.3 | Very high | 94 | Very high | 44 Ų | 44 | 84.9 Ų | 84.9 | 19% | 0.193 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -86.1 | 128.1 | -178.4 | -179.4 | -96.1 | 0 | 0 | 0 | 110.9 | R181 C182 C198 H202 R205 | R181-F200 HydrophobicContact CB-CD1 3.98Å; R181-F200 HydrophobicContact CB-CG 4.27Å; C182-F200 HydrophobicContact CB-CB 3.8Å; C198-F200 PolarHBondContact O-N 3.27Å; C198-F200 VanDerWaalsContact SG-CB 3.57Å; F200-H202 AromaticContact CD1-CD2 3.99Å; F200-H202 AromaticContact CD1-CE1 3.86Å; F200-H202 AromaticContact CD1-ND1 3.94Å; F200-H202 AromaticContact CD1-NE2 3.88Å; F200-H202 PolarHBondContact O-CD2 3.36Å; F200-H202 PolarHBondContact O-N 3.44Å; F200-R205 HydrophobicContact CE1-CB 4.07Å; F200-R205 HydrophobicContact CE1-CG 4.32Å; F200-R205 VanDerWaalsContact CG-NH2 3.29Å; F200-R205 HydrophobicContact CZ-CB 3.82Å; F200-R205 HydrophobicContact CZ-CG 3.69Å |
| 201 | D | 94 | Very high | 93.9 | Very high | 95 Ų | 95 | 86.9 Ų | 86.9 | 51% | 0.508 | 44% | 0.442 | S | S | . | . | trans | -74.4 | 87.7 | 179.2 | -177.8 | 9.9 | 0 | 0 | 0 | 112.4 | L203 G204 R205 | D201-L203 VanDerWaalsContact C-N 3.27Å; D201-L203 PolarHBondContact O-N 3.34Å; D201-L203 PolarHBondContact OD1-N 3.4Å; D201-G204 VanDerWaalsContact CG-N 3.34Å; D201-G204 PolarHBondContact OD1-N 2.67Å; D201-G204 WeakPolarHBondContact OD2-CA 3.32Å; D201-G204 PolarHBondContact OD2-N 3.34Å; D201-R205 PolarHBondContact O-N 3.08Å | ||
| 202 | H | 90.8 | Very high | 93.7 | Very high | 76 Ų | 76 | 86.8 Ų | 86.8 | 35% | 0.352 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.7 | -31.2 | 176.6 | -69.3 | -86.4 | 0 | 0 | 0 | 113.2 | C198 F200 G206 | C198-H202 PolarHBondContact SG-NE2 2.94Å; F200-H202 AromaticContact CD1-CD2 3.99Å; F200-H202 AromaticContact CD1-CE1 3.86Å; F200-H202 AromaticContact CD1-ND1 3.94Å; F200-H202 AromaticContact CD1-NE2 3.88Å; F200-H202 PolarHBondContact O-CD2 3.36Å; F200-H202 PolarHBondContact O-N 3.44Å; H202-G206 PolarHBondContact O-N 2.83Å |
| 203 | L | 92.6 | Very high | 93.6 | Very high | 141 Ų | 141 | 90 Ų | 90 | 74% | 0.738 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -79.3 | -45.7 | -173.5 | -138.7 | 71 | 0 | 0 | 0 | 110.9 | D201 G206 R207 | D201-L203 VanDerWaalsContact C-N 3.27Å; D201-L203 PolarHBondContact O-N 3.34Å; D201-L203 PolarHBondContact OD1-N 3.4Å; L203-G206 PolarHBondContact O-N 3.28Å; L203-R207 WeakPolarHBondContact O-CB 3.18Å; L203-R207 PolarHBondContact O-N 2.88Å |
| 204 | G | 95.2 | Very high | 93.4 | Very high | 21 Ų | 21 | 93.6 Ų | 93.6 | 22% | 0.216 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D201 G206 R207 E208 | D201-G204 VanDerWaalsContact CG-N 3.34Å; D201-G204 PolarHBondContact OD1-N 2.67Å; D201-G204 WeakPolarHBondContact OD2-CA 3.32Å; D201-G204 PolarHBondContact OD2-N 3.34Å; G204-G206 VanDerWaalsContact C-N 3.35Å; G204-G206 PolarHBondContact O-N 2.92Å; G204-R207 PolarHBondContact O-N 3.16Å; G204-E208 WeakPolarHBondContact O-CB 3.35Å; G204-E208 PolarHBondContact O-N 3.31Å |
| 205 | R | 93.4 | Very high | 93.2 | Very high | 80 Ų | 80 | 91.2 Ų | 91.2 | 30% | 0.302 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 176.6 | -109.8 | -150.9 | -71.4 | -112.3 | 4.3 | 112.8 | R181 F200 D201 R207 E208 E209 | R181-R205 VanDerWaalsContact CB-NH2 3.3Å; F200-R205 HydrophobicContact CE1-CB 4.07Å; F200-R205 HydrophobicContact CE1-CG 4.32Å; F200-R205 VanDerWaalsContact CG-NH2 3.29Å; F200-R205 HydrophobicContact CZ-CB 3.82Å; F200-R205 HydrophobicContact CZ-CG 3.69Å; D201-R205 PolarHBondContact O-N 3.08Å; R205-R207 VanDerWaalsContact C-N 3.33Å; R205-E208 PolarHBondContact O-N 3.07Å; R205-E209 VanDerWaalsContact O-CB 3.25Å; R205-E209 WeakPolarHBondContact O-CB 3.2Å; R205-E209 PolarHBondContact O-N 3.28Å |
| 206 | G | 94.5 | Very high | 92.7 | Very high | 38 Ų | 38 | 97.2 Ų | 97.2 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | H202 L203 G204 A210 | H202-G206 PolarHBondContact O-N 2.83Å; L203-G206 PolarHBondContact O-N 3.28Å; G204-G206 VanDerWaalsContact C-N 3.35Å; G204-G206 PolarHBondContact O-N 2.92Å; G206-A210 VanDerWaalsContact O-CB 3.29Å; G206-A210 WeakPolarHBondContact O-CB 3.43Å; G206-A210 PolarHBondContact O-N 3.15Å |
| 207 | R | 95.6 | Very high | 92 | Very high | 179 Ų | 179 | 103.9 Ų | 103.9 | 68% | 0.675 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -48.7 | 174.5 | -179 | -174.9 | -68.2 | 156.1 | -1.3 | 111.5 | L203 G204 R205 A210 V211 | L203-R207 WeakPolarHBondContact O-CB 3.18Å; L203-R207 PolarHBondContact O-N 2.88Å; G204-R207 PolarHBondContact O-N 3.16Å; R205-R207 VanDerWaalsContact C-N 3.33Å; R207-A210 PolarHBondContact O-N 3.37Å; R207-V211 HydrophobicContact CG-CG2 4.44Å; R207-V211 VanDerWaalsContact O-CG2 3.29Å; R207-V211 WeakPolarHBondContact O-CG2 3.47Å; R207-V211 PolarHBondContact O-N 2.95Å |
| 208 | E | 95.3 | Very high | 91.4 | Very high | 118 Ų | 118 | 105.5 Ų | 105.5 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.9 | -48 | 179.3 | -178.6 | 177.2 | -156.1 | 0 | 0 | 111.4 | G204 R205 A210 V211 L212 | G204-E208 WeakPolarHBondContact O-CB 3.35Å; G204-E208 PolarHBondContact O-N 3.31Å; R205-E208 PolarHBondContact O-N 3.07Å; E208-A210 VanDerWaalsContact C-N 3.3Å; E208-A210 PolarHBondContact O-N 2.96Å; E208-V211 PolarHBondContact O-N 3.07Å; E208-L212 HydrophobicContact CG-CD1 4.15Å; E208-L212 WeakPolarHBondContact O-CG 3.49Å; E208-L212 PolarHBondContact O-N 3.28Å |
| 209 | E | 94.8 | Very high | 90.5 | Very high | 76 Ų | 76 | 114.3 Ų | 114.3 | 36% | 0.355 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61 | -39.5 | 177.3 | -172.4 | 177.3 | 166.5 | 0 | 0 | 111.6 | R181 R205 K213 | R181-E209 IonicContact NH1-OE2 3.24Å; R205-E209 VanDerWaalsContact O-CB 3.25Å; R205-E209 WeakPolarHBondContact O-CB 3.2Å; R205-E209 PolarHBondContact O-N 3.28Å; E209-K213 HydrophobicContact CG-CD 4.29Å; E209-K213 WeakPolarHBondContact O-CB 3.5Å; E209-K213 VanDerWaalsContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact O-CG 3.37Å; E209-K213 PolarHBondContact O-N 3.08Å; E209-K213 VanDerWaalsContact O-N 3.08Å; E209-K213 WeakPolarHBondContact OE1-CE 3.42Å; E209-K213 IonicContact OE1-NZ 2.6Å; E209-K213 PolarHBondContact OE1-NZ 3.37Å |
| 210 | A | 93.9 | Very high | 89.7 | Confident | 49 Ų | 49 | 115.3 Ų | 115.3 | 41% | 0.405 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.8 | -46.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G206 R207 E208 L212 K213 M214 | G206-A210 VanDerWaalsContact O-CB 3.29Å; G206-A210 WeakPolarHBondContact O-CB 3.43Å; G206-A210 PolarHBondContact O-N 3.15Å; R207-A210 PolarHBondContact O-N 3.37Å; E208-A210 VanDerWaalsContact C-N 3.3Å; E208-A210 PolarHBondContact O-N 2.96Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L212 PolarHBondContact O-N 2.88Å; A210-K213 CarbonylContact O-C 3.57Å; A210-K213 PolarHBondContact O-N 3.16Å; A210-M214 WeakPolarHBondContact O-CG 3.28Å; A210-M214 PolarHBondContact O-N 2.98Å |
| 211 | V | 93.8 | Very high | 88.4 | Confident | 85 Ų | 85 | 118 Ų | 118 | 52% | 0.515 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.1 | -42.6 | 177.9 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | R207 E208 K213 M214 | R207-V211 HydrophobicContact CG-CG2 4.44Å; R207-V211 VanDerWaalsContact O-CG2 3.29Å; R207-V211 WeakPolarHBondContact O-CG2 3.47Å; R207-V211 PolarHBondContact O-N 2.95Å; E208-V211 PolarHBondContact O-N 3.07Å; V211-K213 VanDerWaalsContact C-N 3.3Å; V211-K213 PolarHBondContact O-N 2.82Å; V211-M214 WeakPolarHBondContact O-CB 3.17Å; V211-M214 PolarHBondContact O-N 2.79Å |
| 212 | L | 92.3 | Very high | 87 | Confident | 137 Ų | 137 | 115.7 Ų | 115.7 | 72% | 0.717 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.9 | -34.9 | 177.3 | -71.3 | 173.5 | 0 | 0 | 0 | 112.3 | E208 A210 | E208-L212 HydrophobicContact CG-CD1 4.15Å; E208-L212 WeakPolarHBondContact O-CG 3.49Å; E208-L212 PolarHBondContact O-N 3.28Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L212 PolarHBondContact O-N 2.88Å |
| 213 | K | 93.9 | Very high | 85.5 | Confident | 147 Ų | 147 | 124.1 Ų | 124.1 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -84.4 | -8.1 | 177.6 | -69.4 | 178.2 | -171.5 | 174.4 | 0 | 113.9 | E209 A210 V211 V215 | E209-K213 HydrophobicContact CG-CD 4.29Å; E209-K213 WeakPolarHBondContact O-CB 3.5Å; E209-K213 VanDerWaalsContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact O-CG 3.37Å; E209-K213 PolarHBondContact O-N 3.08Å; E209-K213 VanDerWaalsContact O-N 3.08Å; E209-K213 WeakPolarHBondContact OE1-CE 3.42Å; E209-K213 IonicContact OE1-NZ 2.6Å; E209-K213 PolarHBondContact OE1-NZ 3.37Å; A210-K213 CarbonylContact O-C 3.57Å; A210-K213 PolarHBondContact O-N 3.16Å; V211-K213 VanDerWaalsContact C-N 3.3Å; V211-K213 PolarHBondContact O-N 2.82Å; K213-V215 PolarHBondContact O-N 2.77Å |
| 214 | M | 90 | Very high | 84.2 | Confident | 125 Ų | 125 | 122.3 Ų | 122.3 | 62% | 0.616 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -63.7 | 126.4 | 175 | -79.8 | 177.4 | -173.8 | 0 | 0 | 109.6 | A210 V211 K216 | A210-M214 WeakPolarHBondContact O-CG 3.28Å; A210-M214 PolarHBondContact O-N 2.98Å; V211-M214 WeakPolarHBondContact O-CB 3.17Å; V211-M214 PolarHBondContact O-N 2.79Å; M214-K216 PolarHBondContact O-N 2.99Å |
| 215 | V | 89.7 | Confident | 82.4 | Confident | 126 Ų | 126 | 127.1 Ų | 127.1 | 76% | 0.764 | 64% | 0.644 | S | S | * | * | trans | -63.3 | 106.1 | 171 | 179.2 | 0 | 0 | 0 | 0 | 107.5 | K213 L217 | K213-V215 PolarHBondContact O-N 2.77Å; V215-L217 HydrophobicContact CG1-CD2 4.32Å; V215-L217 PolarHBondContact O-N 2.9Å | ||
| 216 | K | 84.7 | Confident | 80.9 | Confident | 196 Ų | 196 | 131.6 Ų | 131.6 | 85% | 0.852 | 67% | 0.668 | S | S | * | * | trans | -66.6 | 100.1 | 170.4 | -81.7 | 176.7 | 178.4 | 171.4 | 0 | 107.8 | M214 D218 | M214-K216 PolarHBondContact O-N 2.99Å; K216-D218 PolarHBondContact O-N 2.82Å; K216-D218 VanDerWaalsContact O-N 3.07Å | ||
| 217 | L | 79.1 | Confident | 79.1 | Confident | 148 Ų | 148 | 140.4 Ų | 140.4 | 78% | 0.775 | 69% | 0.689 | S | S | * | * | trans | -68.4 | 105.1 | 163.5 | -67.4 | -177.8 | 0 | 0 | 0 | 107 | V215 R219 | V215-L217 HydrophobicContact CG1-CD2 4.32Å; V215-L217 PolarHBondContact O-N 2.9Å; L217-R219 PolarHBondContact O-N 3.47Å | ||
| 218 | D | 78.8 | Confident | 77.5 | Confident | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | -63.2 | 106 | 171.4 | -164.6 | -2.7 | 0 | 0 | 0 | 107.6 | K216 K220 | K216-D218 PolarHBondContact O-N 2.82Å; K216-D218 VanDerWaalsContact O-N 3.07Å; D218-K220 PolarHBondContact O-N 3.09Å | ||
| 219 | R | 75.1 | Confident | 75.9 | Confident | 211 Ų | 211 | 138 Ų | 138 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | trans | -70.5 | 88.4 | 178.5 | -76.2 | 176.1 | 67.2 | -178.8 | 1.1 | 107.1 | L217 V221 | L217-R219 PolarHBondContact O-N 3.47Å; R219-V221 HydrophobicContact CB-CG2 4.39Å; R219-V221 PolarHBondContact O-N 3.14Å | ||
| 220 | K | 73.9 | Confident | 74.5 | Confident | 191 Ų | 191 | 142.9 Ų | 142.9 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | trans | -65.9 | 80 | 159.8 | -79.4 | 170.7 | 178.1 | 175.1 | 0 | 108.1 | D218 G222 | D218-K220 PolarHBondContact O-N 3.09Å; K220-G222 VanDerWaalsContact C-N 3.29Å; K220-G222 PolarHBondContact O-N 3.22Å | ||
| 221 | V | 65.8 | Low | 72.9 | Confident | 100 Ų | 100 | 149.9 Ų | 149.9 | 61% | 0.606 | 76% | 0.755 | S | S | * | * | trans | -67.2 | 98.1 | 161.8 | -180 | 0 | 0 | 0 | 0 | 105.1 | R219 | R219-V221 HydrophobicContact CB-CG2 4.39Å; R219-V221 PolarHBondContact O-N 3.14Å | ||
| 222 | G | 63 | Low | 70.9 | Confident | 46 Ų | 46 | 152.2 Ų | 152.2 | 47% | 0.474 | 77% | 0.773 | S | S | . | * | trans | -54.4 | 141.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | K220 S224 | K220-G222 VanDerWaalsContact C-N 3.29Å; K220-G222 PolarHBondContact O-N 3.22Å; G222-S224 PolarHBondContact O-N 2.9Å | ||
| 223 | R | 60.4 | Low | 69.5 | Low | 253 Ų | 253 | 155 Ų | 155 | 96% | 0.955 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -62.4 | 14.8 | -176.9 | -65.6 | -176.1 | -170.9 | -167.5 | 2.4 | 115 | ||
| 224 | S | 64.7 | Low | 68.3 | Low | 104 Ų | 104 | 155.4 Ų | 155.4 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -110 | 55.7 | -169.9 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | G222 | G222-S224 PolarHBondContact O-N 2.9Š| ||
| 225 | C | 57 | Low | 67.2 | Low | 122 Ų | 122 | 157 Ų | 157 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | trans | -106.7 | 52.3 | 155.5 | -63.2 | 0 | 0 | 0 | 0 | 108.9 | R227 | C225-R227 PolarHBondContact O-N 2.84Š| ||
| 226 | Q | 62 | Low | 65.9 | Low | 173 Ų | 173 | 158.7 Ų | 158.7 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | trans | -79.3 | 115.8 | 164 | -93.4 | 161.2 | 0.2 | 0 | 0 | 107.7 | I228 | Q226-I228 PolarHBondContact O-N 3.02Å; Q226-I228 VanDerWaalsContact O-N 3.09Å | ||
| 227 | R | 58.2 | Low | 64.8 | Low | 223 Ų | 223 | 156.5 Ų | 156.5 | 84% | 0.842 | 82% | 0.824 | S | S | * | * | trans | -61.9 | 105.2 | 175.1 | -177.8 | -175.5 | -67.3 | 166.5 | -2.1 | 107.9 | C225 G229 | C225-R227 PolarHBondContact O-N 2.84Å; R227-G229 PolarHBondContact O-N 3.32Å; R227-G229 VanDerWaalsContact O-N 3.14Å | ||
| 228 | I | 62.2 | Low | 63.9 | Low | 179 Ų | 179 | 157.1 Ų | 157.1 | 92% | 0.918 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -72.5 | 101.2 | 167.4 | -55.5 | 165.8 | 0 | 0 | 0 | 105.6 | Q226 | Q226-I228 PolarHBondContact O-N 3.02Å; Q226-I228 VanDerWaalsContact O-N 3.09Å |
| 229 | G | 60.6 | Low | 62.9 | Low | 67 Ų | 67 | 158.3 Ų | 158.3 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | trans | 172.9 | 23.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | R227 | R227-G229 PolarHBondContact O-N 3.32Å; R227-G229 VanDerWaalsContact O-N 3.14Å | ||
| 230 | E | 64.9 | Low | 62 | Low | 180 Ų | 180 | 154.5 Ų | 154.5 | 84% | 0.841 | 84% | 0.836 | S | S | * | * | trans | -143.8 | 55.3 | 178.1 | -146.6 | 176.2 | 160.8 | 0 | 0 | 110.9 | ||||
| 231 | E | 60.3 | Low | 61.1 | Low | 196 Ų | 196 | 151.7 Ų | 151.7 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | trans | -153.1 | 92.3 | 153.2 | -147.7 | 179.7 | 101.2 | 0 | 0 | 109.3 | ||||
| 232 | C | 51.9 | Low | 60.7 | Low | 134 Ų | 134 | 156 Ų | 156 | 91% | 0.905 | 86% | 0.855 | S | S | * | * | trans | -144 | 93.8 | 156.5 | -158.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 233 | S | 63.6 | Low | 60.5 | Low | 195 Ų | 195 | 166 Ų | 166 | 100% | 1.364 | 89% | 0.89 | S | S | * | * | trans | -138.9 | 0 | 169.8 | -71.6 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 233 of 233 residues in 453.8 ms
(Link to these results)