| 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 | 36.5 | Very low | 38.6 | Very low | 248 Ų | 248 | 135.9 Ų | 135.9 | 100% | 1.222 | 69% | 0.69 | S | S | * | * | 0 | 132.4 | 0 | -80.3 | 170.8 | 151.5 | 0 | 0 | 108.9 | |||||
| 2 | I | 33.6 | Very low | 39.3 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | trans | -97.3 | 122.9 | 173 | -62.5 | 174.7 | 0 | 0 | 0 | 107.7 | I4 | I2-I4 HydrophobicContact CG2-CG1 4.07Å; I2-I4 PolarHBondContact O-N 3.5Å | ||
| 3 | N | 34.9 | Very low | 39.8 | Very low | 161 Ų | 161 | 129 Ų | 129 | 86% | 0.861 | 66% | 0.662 | S | S | * | * | trans | -85.8 | 94.1 | 179.4 | -170.7 | -2.2 | 0 | 0 | 0 | 109.6 | N5 | N3-N5 PolarHBondContact O-N 3.06Š| ||
| 4 | I | 38.7 | Very low | 39.9 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 60% | 0.6 | 65% | 0.648 | S | S | * | * | trans | -79.1 | 120 | -175.6 | -58.8 | 176.7 | 0 | 0 | 0 | 109.7 | I2 T6 | I2-I4 HydrophobicContact CG2-CG1 4.07Å; I2-I4 PolarHBondContact O-N 3.5Å; I4-T6 PolarHBondContact O-N 3Å; I4-T6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | N | 38.1 | Very low | 40.2 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 54% | 0.535 | 64% | 0.644 | S | S | . | * | trans | -69.6 | 104.4 | -178.5 | -177.1 | -4.7 | 0 | 0 | 0 | 111.6 | N3 R7 S8 | N3-N5 PolarHBondContact O-N 3.06Å; N5-R7 PolarHBondContact O-N 2.89Å; N5-R7 WeakPolarHBondContact OD1-CB 3.47Å; N5-R7 PolarHBondContact OD1-N 3.33Å; N5-S8 PolarHBondContact O-N 3.39Å; N5-S8 VanDerWaalsContact O-N 3.15Å; N5-S8 PolarHBondContact O-OG 2.77Å | ||
| 6 | T | 40.5 | Very low | 40.3 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -6.2 | -179.3 | 55.2 | 0 | 0 | 0 | 0 | 114.9 | I4 | I4-T6 PolarHBondContact O-N 3Å; I4-T6 VanDerWaalsContact O-N 3.09Å |
| 7 | R | 40.3 | Very low | 40.1 | Very low | 221 Ų | 221 | 133.9 Ų | 133.9 | 83% | 0.834 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -17.9 | 174.4 | -64.5 | -174.1 | 174.6 | -169.7 | -0.9 | 114.1 | N5 V9 | N5-R7 PolarHBondContact O-N 2.89Å; N5-R7 WeakPolarHBondContact OD1-CB 3.47Å; N5-R7 PolarHBondContact OD1-N 3.33Å; R7-V9 PolarHBondContact O-N 3.08Å |
| 8 | S | 38.5 | Very low | 39.7 | Very low | 60 Ų | 60 | 130.9 Ų | 130.9 | 42% | 0.42 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -78.3 | 109.6 | 166.2 | 49.3 | 0 | 0 | 0 | 0 | 108.9 | N5 L10 | N5-S8 PolarHBondContact O-N 3.39Å; N5-S8 VanDerWaalsContact O-N 3.15Å; N5-S8 PolarHBondContact O-OG 2.77Å; S8-L10 PolarHBondContact O-N 3.4Å |
| 9 | V | 39.5 | Very low | 39.2 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 66% | 0.655 | 66% | 0.662 | S | S | * | * | trans | -71.6 | 82.4 | 165.1 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | R7 R11 | R7-V9 PolarHBondContact O-N 3.08Å; V9-R11 PolarHBondContact O-N 2.72Å | ||
| 10 | L | 35.6 | Very low | 38.8 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 45% | 0.445 | 67% | 0.674 | S | S | . | * | trans | -56.2 | 106.4 | 161.3 | -72.6 | 165.6 | 0 | 0 | 0 | 106.4 | S8 Y14 | S8-L10 PolarHBondContact O-N 3.4Å; L10-Y14 HydrophobicContact CD2-CG 4.43Å | ||
| 11 | R | 48.2 | Very low | 38.4 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 40% | 0.396 | 68% | 0.683 | S | S | . | * | trans | -66.7 | 155.9 | 171.5 | -58.2 | 177.4 | 169.9 | -177.1 | -4.7 | 108.9 | V9 E13 Y14 | V9-R11 PolarHBondContact O-N 2.72Å; R11-E13 VanDerWaalsContact CB-CD 3.42Å; R11-E13 HydrophobicContact CB-CG 4.4Å; R11-E13 WeakPolarHBondContact CB-OE2 3.29Å; R11-E13 WeakPolarHBondContact CD-OE1 3.49Å; R11-E13 IonicContact CZ-OE1 2.74Å; R11-E13 IonicContact NE-OE1 2.73Å; R11-E13 IonicContact NH1-OE1 3.16Å; R11-E13 PolarHBondContact NH1-OE1 3.39Å; R11-E13 PolarHBondContact O-N 2.98Å; R11-E13 VanDerWaalsContact O-N 3.09Å; R11-Y14 HydrophobicContact CB-CD2 4.05Å; R11-Y14 HydrophobicContact CB-CE2 4.33Å; R11-Y14 PolarHBondContact O-N 3.31Å | ||
| 12 | P | 47.5 | Very low | 38.1 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 60% | 0.597 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -54.8 | -31.1 | -174.1 | -27.7 | 36.8 | 0 | 0 | 0 | 114.9 | Y14 L15 | P12-Y14 PolarHBondContact O-N 3.12Å; P12-Y14 VanDerWaalsContact O-N 3.17Å; P12-L15 PolarHBondContact O-N 3.5Å |
| 13 | E | 45.9 | Very low | 38 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 42% | 0.421 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -59.4 | -24.6 | 175.7 | 62.8 | -93 | -147.5 | 0 | 0 | 113.7 | R11 | R11-E13 VanDerWaalsContact CB-CD 3.42Å; R11-E13 HydrophobicContact CB-CG 4.4Å; R11-E13 WeakPolarHBondContact CB-OE2 3.29Å; R11-E13 WeakPolarHBondContact CD-OE1 3.49Å; R11-E13 IonicContact CZ-OE1 2.74Å; R11-E13 IonicContact NE-OE1 2.73Å; R11-E13 IonicContact NH1-OE1 3.16Å; R11-E13 PolarHBondContact NH1-OE1 3.39Å; R11-E13 PolarHBondContact O-N 2.98Å; R11-E13 VanDerWaalsContact O-N 3.09Å |
| 14 | Y | 40.9 | Very low | 37.7 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 47% | 0.467 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -85.9 | -7.3 | 176.9 | -63.2 | -82.7 | 0 | 0 | 0 | 114.1 | L10 R11 P12 | L10-Y14 HydrophobicContact CD2-CG 4.43Å; R11-Y14 HydrophobicContact CB-CD2 4.05Å; R11-Y14 HydrophobicContact CB-CE2 4.33Å; R11-Y14 PolarHBondContact O-N 3.31Å; P12-Y14 PolarHBondContact O-N 3.12Å; P12-Y14 VanDerWaalsContact O-N 3.17Å |
| 15 | L | 43.6 | Very low | 37.4 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 59% | 0.586 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -17.5 | -180 | -69.6 | 170.5 | 0 | 0 | 0 | 113.2 | P12 H17 | P12-L15 PolarHBondContact O-N 3.5Å; L15-H17 VanDerWaalsContact C-N 3.34Å |
| 16 | Y | 42 | Very low | 37.1 | Very low | 204 Ų | 204 | 130.9 Ų | 130.9 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -89 | 7.4 | 177.5 | -78.8 | -82.6 | 0 | 0 | 0 | 114.3 | ||
| 17 | H | 38 | Very low | 36.5 | Very low | 164 Ų | 164 | 131 Ų | 131 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -107.3 | 38.4 | 174.6 | -68.8 | -13.1 | 0 | 0 | 0 | 112.1 | L15 | L15-H17 VanDerWaalsContact C-N 3.34Š|
| 18 | S | 32.1 | Very low | 36.1 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 57% | 0.566 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -144.3 | 138.3 | 174.5 | -71.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 19 | Y | 29.7 | Very low | 35.9 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 78% | 0.784 | 70% | 0.698 | S | S | * | * | trans | 69.2 | 78.4 | -178.6 | -54.8 | -80.8 | 0 | 0 | 0 | 116.8 | F21 | Y19-F21 HydrophobicContact CD1-CD2 4.42Š| ||
| 20 | N | 32.1 | Very low | 35.3 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 91% | 0.914 | 71% | 0.712 | S | S | * | * | trans | -131.2 | 73.8 | 140.1 | -100.7 | -25.7 | 0 | 0 | 0 | 109.3 | S22 | N20-S22 VanDerWaalsContact C-N 3.29Å; N20-S22 PolarHBondContact O-N 3.45Å; N20-S22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | F | 29.2 | Very low | 35.3 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | trans | -80.5 | 67.1 | 176.3 | -101.8 | -85.7 | 0 | 0 | 0 | 110.4 | Y19 | Y19-F21 HydrophobicContact CD1-CD2 4.42Š| ||
| 22 | S | 30.2 | Very low | 34.5 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -167.5 | 73.6 | 170.8 | -80.2 | 0 | 0 | 0 | 0 | 115.1 | N20 | N20-S22 VanDerWaalsContact C-N 3.29Å; N20-S22 PolarHBondContact O-N 3.45Å; N20-S22 VanDerWaalsContact O-N 3.09Å | ||
| 23 | T | 31.2 | Very low | 33.9 | Very low | 136 Ų | 136 | 148.9 Ų | 148.9 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | -178.6 | 135.7 | 143.7 | 25 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 24 | P | 29.4 | Very low | 33.4 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -94.8 | 161.4 | 165 | 36.5 | -31.9 | 0 | 0 | 0 | 112 | ||||
| 25 | S | 31.7 | Very low | 33.1 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 69.6 | 147.8 | -173.4 | 85.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 26 | T | 32 | Very low | 32.7 | Very low | 134 Ų | 134 | 148.9 Ų | 148.9 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | cis | -122.7 | 163.8 | 6.3 | 48.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 27 | V | 29.5 | Very low | 32.4 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -80.4 | 131.3 | 178.1 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 28 | K | 31.8 | Very low | 32.3 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -165.8 | 132.6 | 145.5 | -109.1 | 154.1 | -172.2 | 179.4 | 0 | 114.2 | ||||
| 29 | T | 32.8 | Very low | 32.8 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 43 | 103.8 | 157.2 | 40.8 | 0 | 0 | 0 | 0 | 119.6 | D31 | T29-D31 PolarHBondContact O-N 3.32Š| ||
| 30 | Y | 28.7 | Very low | 33.2 | Very low | 243 Ų | 243 | 138.5 Ų | 138.5 | 95% | 0.953 | 75% | 0.747 | S | S | * | * | trans | -67.8 | 107.9 | 151.2 | -90.5 | -110.1 | 0 | 0 | 0 | 109.6 | ||||
| 31 | D | 34.2 | Very low | 33.8 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | -158.6 | 40.4 | 158 | -112.1 | -29.5 | 0 | 0 | 0 | 112.6 | T29 V33 | T29-D31 PolarHBondContact O-N 3.32Å; D31-V33 PolarHBondContact O-N 3.27Å; D31-V33 VanDerWaalsContact O-N 3.07Å | ||
| 32 | Y | 32.4 | Very low | 34 | Very low | 213 Ų | 213 | 131.4 Ų | 131.4 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | trans | -84.5 | 80.9 | 178.7 | -144.8 | -86.7 | 0 | 0 | 0 | 111.2 | S34 | Y32-S34 PolarHBondContact O-N 3.07Š| ||
| 33 | V | 34.6 | Very low | 34.3 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | trans | -55 | 122.4 | 172 | 177.9 | 0 | 0 | 0 | 0 | 109 | D31 S35 | D31-V33 PolarHBondContact O-N 3.27Å; D31-V33 VanDerWaalsContact O-N 3.07Å; V33-S35 PolarHBondContact O-N 3.33Å | ||
| 34 | S | 34.4 | Very low | 34.6 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 52% | 0.524 | 72% | 0.719 | S | S | . | * | trans | -68.7 | 83.9 | -170 | 166 | 0 | 0 | 0 | 0 | 112.5 | Y32 K36 | Y32-S34 PolarHBondContact O-N 3.07Å; S34-K36 PolarHBondContact O-N 3.23Å; S34-K36 WeakPolarHBondContact OG-CD 3.3Å; S34-K36 WeakPolarHBondContact OG-CE 3.4Å; S34-K36 WeakPolarHBondContact OG-CG 3.41Å | ||
| 35 | S | 35 | Very low | 34.7 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | trans | -68.2 | 53.7 | 174.8 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | V33 I37 | V33-S35 PolarHBondContact O-N 3.33Å; S35-I37 VanDerWaalsContact C-N 3.31Å; S35-I37 PolarHBondContact O-N 3.05Å | ||
| 36 | K | 36.5 | Very low | 34.8 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 68% | 0.683 | 72% | 0.722 | S | S | * | * | trans | -74.8 | 83.5 | 174 | -75.7 | 175.5 | -176.7 | 172 | 0 | 110 | S34 N38 | S34-K36 PolarHBondContact O-N 3.23Å; S34-K36 WeakPolarHBondContact OG-CD 3.3Å; S34-K36 WeakPolarHBondContact OG-CE 3.4Å; S34-K36 WeakPolarHBondContact OG-CG 3.41Å; K36-N38 PolarHBondContact O-N 3.27Å | ||
| 37 | I | 35.3 | Very low | 35 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | trans | -56.1 | 108.9 | 169.3 | -59 | 174.8 | 0 | 0 | 0 | 108.1 | S35 T39 | S35-I37 VanDerWaalsContact C-N 3.31Å; S35-I37 PolarHBondContact O-N 3.05Å; I37-T39 HydrophobicContact CG2-CG2 4.17Å; I37-T39 PolarHBondContact O-N 3.33Å; I37-T39 VanDerWaalsContact O-N 3.16Å | ||
| 38 | N | 35.4 | Very low | 35.2 | Very low | 83 Ų | 83 | 141.8 Ų | 141.8 | 44% | 0.444 | 73% | 0.731 | S | S | . | * | trans | -78.5 | 97.9 | 177.3 | 174.5 | 35.3 | 0 | 0 | 0 | 109.5 | K36 N40 | K36-N38 PolarHBondContact O-N 3.27Å; N38-N40 PolarHBondContact ND2-O 3.28Å; N38-N40 PolarHBondContact O-N 2.81Å; N38-N40 WeakPolarHBondContact OD1-CB 3.46Å; N38-N40 PolarHBondContact OD1-N 3.37Å; N38-N40 PolarHBondContact OD1-ND2 2.97Å | ||
| 39 | T | 41.9 | Very low | 35.3 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | trans | -78.5 | 11.1 | 178.6 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | I37 | I37-T39 HydrophobicContact CG2-CG2 4.17Å; I37-T39 PolarHBondContact O-N 3.33Å; I37-T39 VanDerWaalsContact O-N 3.16Å | ||
| 40 | N | 38.8 | Very low | 35.4 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 49% | 0.487 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -92 | 129.2 | 170.8 | -53.4 | -70.8 | 0 | 0 | 0 | 110.2 | N38 A42 | N38-N40 PolarHBondContact ND2-O 3.28Å; N38-N40 PolarHBondContact O-N 2.81Å; N38-N40 WeakPolarHBondContact OD1-CB 3.46Å; N38-N40 PolarHBondContact OD1-N 3.37Å; N38-N40 PolarHBondContact OD1-ND2 2.97Å; N40-A42 PolarHBondContact O-N 2.89Å |
| 41 | T | 44.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 133 Ų | 133 | 96% | 0.957 | 72% | 0.718 | S | S | * | * | trans | -70.6 | 32.6 | 176.2 | 45.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 42 | A | 34.2 | Very low | 35.5 | Very low | 60 Ų | 60 | 135 Ų | 135 | 50% | 0.496 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -104.3 | 125 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | N40 V44 | N40-A42 PolarHBondContact O-N 2.89Å; A42-V44 PolarHBondContact O-N 2.93Å; A42-V44 VanDerWaalsContact O-N 3.12Å |
| 43 | P | 36.1 | Very low | 35.5 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | trans | -65.4 | 113.8 | 178.8 | 25.8 | -33.2 | 0 | 0 | 0 | 110.5 | Y45 | P43-Y45 PolarHBondContact O-N 3.16Š| ||
| 44 | V | 36.4 | Very low | 35.5 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 62% | 0.618 | 73% | 0.727 | S | S | * | * | trans | -89.7 | 101.2 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | A42 H46 | A42-V44 PolarHBondContact O-N 2.93Å; A42-V44 VanDerWaalsContact O-N 3.12Å; V44-H46 PolarHBondContact O-N 2.87Å | ||
| 45 | Y | 33 | Very low | 35.5 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | trans | -61.7 | 119.8 | 170.8 | -64.4 | -86.9 | 0 | 0 | 0 | 109.6 | P43 L47 | P43-Y45 PolarHBondContact O-N 3.16Å; Y45-L47 PolarHBondContact O-N 3.07Å; Y45-L47 VanDerWaalsContact O-N 3.15Å | ||
| 46 | H | 34.1 | Very low | 35.5 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -67.1 | 110.4 | 171.1 | -88.8 | -104.5 | 0 | 0 | 0 | 109.3 | V44 E48 | V44-H46 PolarHBondContact O-N 2.87Å; H46-E48 PolarHBondContact O-N 3.26Å | ||
| 47 | L | 35 | Very low | 35.4 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | -83.1 | 91.4 | 172.9 | -149.9 | 83.7 | 0 | 0 | 0 | 108.8 | Y45 G49 | Y45-L47 PolarHBondContact O-N 3.07Å; Y45-L47 VanDerWaalsContact O-N 3.15Å; L47-G49 PolarHBondContact O-N 3.24Å | ||
| 48 | E | 33 | Very low | 35.3 | Very low | 202 Ų | 202 | 147.9 Ų | 147.9 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | trans | -73.3 | 97.6 | 179 | -157.3 | 173.2 | -146.6 | 0 | 0 | 109.9 | H46 | H46-E48 PolarHBondContact O-N 3.26Š| ||
| 49 | G | 34.6 | Very low | 35.2 | Very low | 65 Ų | 65 | 150.5 Ų | 150.5 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -143.5 | 119 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L47 | L47-G49 PolarHBondContact O-N 3.24Š| ||
| 50 | K | 36 | Very low | 34.8 | Very low | 215 Ų | 215 | 150 Ų | 150 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | trans | -66.1 | 151.6 | -176.6 | -69 | 173.8 | -179.2 | 172.5 | 0 | 111.5 | ||||
| 51 | S | 29.9 | Very low | 34.4 | Very low | 101 Ų | 101 | 154.2 Ų | 154.2 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -64.6 | 152.9 | -174.8 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 52 | H | 33.7 | Very low | 34 | Very low | 188 Ų | 188 | 159 Ų | 159 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | -164.7 | 136.4 | 123.1 | -100.7 | -68.3 | 0 | 0 | 0 | 110.9 | |||||
| 53 | V | 33.2 | Very low | 34.1 | Very low | 132 Ų | 132 | 162.7 Ų | 162.7 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -89.5 | 124.1 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 54 | K | 34.4 | Very low | 34 | Very low | 202 Ų | 202 | 164.8 Ų | 164.8 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | -128.7 | 121.9 | 156.4 | -75.8 | -170.4 | 174.7 | -178.8 | 0 | 109.8 | L56 | K54-L56 PolarHBondContact O-N 3.16Š| ||
| 55 | K | 34.5 | Very low | 34.1 | Very low | 209 Ų | 209 | 164.4 Ų | 164.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 122.5 | 173.6 | -74.7 | 175.9 | 176.2 | 171.6 | 0 | 109.1 | ||
| 56 | L | 35.3 | Very low | 34.3 | Very low | 173 Ų | 173 | 165.6 Ų | 165.6 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -100 | 129.7 | 159.5 | -94.4 | 162.7 | 0 | 0 | 0 | 109.4 | K54 | K54-L56 PolarHBondContact O-N 3.16Š|
| 57 | R | 34.6 | Very low | 34.4 | Very low | 239 Ų | 239 | 166.1 Ų | 166.1 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 139.9 | 179.9 | -149.3 | 175.3 | -172.6 | 176.3 | 1.2 | 108.6 | D59 | R57-D59 PolarHBondContact O-N 2.81Š|
| 58 | P | 33.1 | Very low | 34.4 | Very low | 121 Ų | 121 | 167.8 Ų | 167.8 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 116.3 | -178.6 | 30 | -33.2 | 0 | 0 | 0 | 110.3 | ||
| 59 | D | 33 | Very low | 34.5 | Very low | 139 Ų | 139 | 164 Ų | 164 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -153.7 | 155.2 | 161.2 | -153.3 | 2.6 | 0 | 0 | 0 | 113.9 | R57 | R57-D59 PolarHBondContact O-N 2.81Š| ||
| 60 | N | 32.5 | Very low | 34.5 | Very low | 95 Ų | 95 | 167 Ų | 167 | 51% | 0.508 | 82% | 0.815 | S | S | . | * | S | Bend | trans | 52.5 | 107.1 | 163.8 | -82.4 | -72.6 | 0 | 0 | 0 | 119.9 | ||
| 61 | K | 31.2 | Very low | 34.4 | Very low | 181 Ų | 181 | 159.8 Ų | 159.8 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | trans | 59.5 | 88.7 | 132.7 | -59.4 | 164.3 | -176.1 | 148 | 0 | 117.3 | ||||
| 62 | R | 35.5 | Very low | 34.6 | Very low | 256 Ų | 256 | 162.3 Ų | 162.3 | 97% | 0.966 | 81% | 0.807 | S | S | * | * | trans | -111.4 | 122.5 | 144.3 | -72 | -165.5 | 174.2 | -156.9 | -3.2 | 110.1 | ||||
| 63 | V | 38 | Very low | 34.6 | Very low | 137 Ų | 137 | 164.9 Ų | 164.9 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 136 | -171.7 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 64 | H | 32.3 | Very low | 34.5 | Very low | 150 Ų | 150 | 163.3 Ų | 163.3 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 122.9 | 173.5 | -152.7 | -66.9 | 0 | 0 | 0 | 108.8 | ||
| 65 | P | 39.9 | Very low | 34.6 | Very low | 93 Ų | 93 | 160 Ų | 160 | 60% | 0.604 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -60.5 | 150.3 | 165.4 | 27.6 | -33.2 | 0 | 0 | 0 | 108.9 | ||
| 66 | Y | 35.6 | Very low | 34.4 | Very low | 225 Ų | 225 | 157 Ų | 157 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 71.2 | 49.9 | -170.7 | -52.4 | -82.6 | 0 | 0 | 0 | 116.4 | ||
| 67 | K | 37.9 | Very low | 34.5 | Very low | 192 Ų | 192 | 154.8 Ų | 154.8 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -127.5 | 125.7 | 135.5 | -79.6 | -166 | 173 | -172.1 | 0 | 109.5 | ||||
| 68 | K | 35.1 | Very low | 34.6 | Very low | 209 Ų | 209 | 149.2 Ų | 149.2 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -86.8 | 130.6 | 163.7 | -77.8 | -173.6 | 174.4 | -175.4 | 0 | 108.8 | ||||
| 69 | P | 33.4 | Very low | 34.7 | Very low | 121 Ų | 121 | 151 Ų | 151 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -124.1 | 88.8 | 160.4 | 34.5 | -18.5 | 0 | 0 | 0 | 110.2 | ||||
| 70 | C | 35.9 | Very low | 35 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -123.1 | 138.5 | 158.3 | -58.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 71 | G | 34.1 | Very low | 35.2 | Very low | 64 Ų | 64 | 153.7 Ų | 153.7 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | cis | 129.6 | 106 | 2.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 72 | N | 33.5 | Very low | 35.6 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | 61.1 | 94.8 | 168.9 | -53 | -11.9 | 0 | 0 | 0 | 117.1 | ||||
| 73 | Y | 34.6 | Very low | 35.7 | Very low | 242 Ų | 242 | 148.6 Ų | 148.6 | 95% | 0.949 | 80% | 0.795 | S | S | * | * | -129.8 | 136.8 | 126.8 | -86.4 | -76.9 | 0 | 0 | 0 | 108.1 | |||||
| 74 | A | 30.4 | Very low | 35.8 | Very low | 98 Ų | 98 | 150.2 Ų | 150.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -116.8 | 124.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 75 | T | 36.1 | Very low | 36 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -143.2 | 120.6 | 167.7 | 30.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 76 | N | 30.8 | Very low | 35.6 | Very low | 148 Ų | 148 | 155.3 Ų | 155.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | 4.2 | 130.9 | 156.6 | -50 | -23.1 | 0 | 0 | 0 | 116.8 | ||||
| 77 | T | 36 | Very low | 35.9 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | -162 | 140.8 | 76.4 | 29.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 78 | T | 37.8 | Very low | 35.7 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 45.3 | 98.3 | 146.3 | 57.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 79 | N | 34.6 | Very low | 35.7 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | 71.6 | 162.5 | 116.7 | -96.5 | -10.6 | 0 | 0 | 0 | 121.7 | |||||
| 80 | P | 39.7 | Very low | 35.8 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | -138.6 | -154.1 | -129.1 | 44.8 | -24.1 | 0 | 0 | 0 | 115.2 | |||||
| 81 | K | 37.2 | Very low | 35.8 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 96.2 | 146.7 | -177 | -56.9 | 171.9 | -174.7 | 177.4 | 0 | 112.3 | ||||
| 82 | D | 38.5 | Very low | 35.9 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | cis | -135.4 | -179.5 | 17.7 | -109.5 | -50.4 | 0 | 0 | 0 | 115.4 | ||||
| 83 | K | 37.7 | Very low | 36.1 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -106.2 | 131.9 | -174 | -59.2 | 170.4 | 177.5 | 174 | 0 | 114.9 | L85 | K83-L85 HydrophobicContact CB-CD1 3.94Š| ||
| 84 | I | 41.2 | Very low | 36.3 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -152.6 | 118.7 | 150.4 | -47.3 | 178.3 | 0 | 0 | 0 | 106.4 | ||||
| 85 | L | 35.1 | Very low | 36.7 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 62% | 0.618 | 78% | 0.779 | S | S | * | * | cis | 96.6 | 92.1 | 34.7 | -87.8 | 78.8 | 0 | 0 | 0 | 116.9 | K83 | K83-L85 HydrophobicContact CB-CD1 3.94Š| ||
| 86 | W | 32.7 | Very low | 37.1 | Very low | 232 Ų | 232 | 141.3 Ų | 141.3 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | 62.2 | -176 | 146.2 | -58 | 115.3 | 0 | 0 | 0 | 120.1 | ||||
| 87 | P | 41 | Very low | 37.4 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | -119.1 | -168.7 | -58.3 | 35.8 | -20.4 | 0 | 0 | 0 | 112.3 | |||||
| 88 | G | 33.8 | Very low | 37.7 | Very low | 58 Ų | 58 | 140 Ų | 140 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | cis | 148.4 | 128.8 | -15.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 89 | T | 35.7 | Very low | 37.9 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | trans | 72.3 | 164.2 | 168.8 | 80.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 90 | S | 35.1 | Very low | 38.1 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | cis | -158.2 | 143.9 | 5.9 | 66.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 91 | N | 35.5 | Very low | 38.1 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 59.7 | 153.5 | 135.6 | -58 | -5.6 | 0 | 0 | 0 | 127 | ||||
| 92 | R | 36.1 | Very low | 38.2 | Very low | 242 Ų | 242 | 136.8 Ų | 136.8 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | trans | 81.2 | 151.2 | 165.2 | -68.4 | -175.7 | 171.3 | -146.1 | -2.7 | 119.7 | ||||
| 93 | S | 39 | Very low | 38.1 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | cis | -173.7 | 145.5 | -35.3 | -115.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 94 | D | 37.2 | Very low | 38.3 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | 73.3 | 140.8 | 144 | -43.9 | -21 | 0 | 0 | 0 | 125.8 | ||||
| 95 | S | 38.9 | Very low | 38.2 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | 63.4 | 150.1 | 168.9 | 68.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 96 | S | 45 | Very low | 38.4 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | 179.8 | 175.4 | -13.5 | -90.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 97 | D | 37.6 | Very low | 38.6 | Very low | 148 Ų | 148 | 127 Ų | 127 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | cis | -156.6 | -173.7 | -44.1 | -83.5 | -50.6 | 0 | 0 | 0 | 105.4 | ||||
| 98 | S | 42.7 | Very low | 38.4 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | cis | -161.3 | -174.9 | 13 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 99 | E | 41.6 | Very low | 38.6 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | 42 | 145.7 | 149.8 | -73.7 | 176.5 | -165.5 | 0 | 0 | 123.7 | ||||
| 100 | S | 38.2 | Very low | 38.5 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -161.6 | 148.6 | -6 | 57.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 101 | V | 40 | Very low | 38.5 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 38.2 | 152.7 | 127.4 | -171.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 102 | S | 39.4 | Very low | 38.4 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | -178.6 | 142.7 | -65.3 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 103 | H | 37.6 | Very low | 38.8 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 68.2 | 169.8 | 153.8 | -77.5 | -127.8 | 0 | 0 | 0 | 118.3 | ||||
| 104 | E | 41.1 | Very low | 38.8 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | cis | -163.4 | 167.7 | 1.8 | -132.6 | 165 | -133.1 | 0 | 0 | 116 | ||||
| 105 | N | 38.6 | Very low | 39.4 | Very low | 133 Ų | 133 | 130 Ų | 130 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 62.4 | 162.6 | 151 | -65 | -29.6 | 0 | 0 | 0 | 120.6 | ||||
| 106 | S | 38.8 | Very low | 39.5 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -176.8 | 169.7 | -8.9 | 42.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 107 | S | 38.5 | Very low | 39 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | -176.1 | 162.2 | -26.1 | -78.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 108 | S | 35.5 | Very low | 39.5 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | 73 | 165.7 | 161.3 | -55.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 109 | P | 37.9 | Very low | 39.4 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | cis | -124.1 | -160.9 | -6.7 | 39.6 | -21.3 | 0 | 0 | 0 | 114.8 | ||||
| 110 | S | 34.5 | Very low | 39.6 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -133.4 | 163 | -162.5 | 58.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 111 | L | 34.3 | Very low | 39.7 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -135 | 145.2 | 159.1 | -91.4 | 173.2 | 0 | 0 | 0 | 111.8 | ||||
| 112 | S | 34.9 | Very low | 40 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -158.6 | 144.3 | 174 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 113 | Y | 43.3 | Very low | 39.9 | Very low | 238 Ų | 238 | 140 Ų | 140 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | trans | -142.5 | 159.9 | 161.9 | -133.4 | -98.5 | 0 | 0 | 0 | 110.7 | ||||
| 114 | V | 39.8 | Very low | 40 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -125.3 | 147.1 | -160.1 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | R116 | V114-R116 HydrophobicContact CG1-CG 4.39Š| ||
| 115 | S | 48.8 | Very low | 40.2 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -139.3 | 147 | 149.8 | -170.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 116 | R | 40.8 | Very low | 40.3 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -143.1 | 143.9 | -178.7 | -90 | -161.1 | 179.6 | -150.5 | 6.5 | 110.8 | V114 | V114-R116 HydrophobicContact CG1-CG 4.39Š| ||
| 117 | Y | 35.2 | Very low | 40.3 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 25.3 | 128 | 147 | -70.7 | -92.4 | 0 | 0 | 0 | 119.8 | ||||
| 118 | S | 48.1 | Very low | 40.4 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -99 | 154.6 | 135 | -165.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 119 | S | 40.8 | Very low | 40.6 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -157 | 135.6 | 177 | -65 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 120 | E | 46.2 | Very low | 40.7 | Very low | 197 Ų | 197 | 147 Ų | 147 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -126.2 | 141 | -173.4 | -158.9 | 154.6 | -135.2 | 0 | 0 | 110 | ||||
| 121 | S | 39.8 | Very low | 41.1 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -156.6 | 131.8 | -161.5 | 60 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 122 | T | 46.3 | Very low | 41.5 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | trans | -135.9 | 147.9 | 172.8 | -42.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 123 | T | 37.5 | Very low | 41.8 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -120.4 | -169.7 | -161.8 | 46.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 124 | H | 39.6 | Very low | 41.6 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | trans | 81.9 | 144.1 | 173.2 | -64.8 | -83.7 | 0 | 0 | 0 | 116.2 | ||||
| 125 | N | 45.7 | Very low | 41.7 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | cis | -142.7 | -179.8 | 11.5 | -113.8 | -21.4 | 0 | 0 | 0 | 114.9 | ||||
| 126 | Y | 40.4 | Very low | 41.3 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 73% | 0.725 | 76% | 0.764 | S | S | * | * | trans | -86.3 | 160.3 | -160.1 | -70.5 | -99.5 | 0 | 0 | 0 | 118.6 | ||||
| 127 | E | 38.4 | Very low | 41.2 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | 62.5 | 153.2 | 145.3 | -75.6 | -174.2 | 120.5 | 0 | 0 | 121 | ||||
| 128 | T | 40.6 | Very low | 41.4 | Very low | 95 Ų | 95 | 139 Ų | 139 | 58% | 0.583 | 75% | 0.754 | S | S | * | * | cis | -149.2 | 159.5 | 0.6 | 0.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 129 | K | 40 | Very low | 41 | Very low | 191 Ų | 191 | 144.5 Ų | 144.5 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | 55.8 | 106.4 | 149.1 | -68.6 | 160.3 | -176.3 | 166.6 | 0 | 120.7 | ||||
| 130 | S | 39.3 | Very low | 41 | Very low | 118 Ų | 118 | 148 Ų | 148 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | -170.4 | 172.4 | 108.5 | 48.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 131 | H | 42.5 | Very low | 40.6 | Very low | 178 Ų | 178 | 145 Ų | 145 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -45 | 148.3 | -175.6 | -62.9 | -96.2 | 0 | 0 | 0 | 114.1 | ||||
| 132 | V | 44.3 | Very low | 40.7 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | cis | -148.1 | 149.7 | 46.4 | 169.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 133 | N | 40.1 | Very low | 40.3 | Very low | 141 Ų | 141 | 146 Ų | 146 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 6.7 | 112.3 | 162.6 | -44.6 | -10.4 | 0 | 0 | 0 | 116.8 | ||||
| 134 | D | 39 | Very low | 40.9 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | cis | 71.6 | 145.1 | 38.6 | -158.2 | 17.9 | 0 | 0 | 0 | 115.5 | ||||
| 135 | V | 43.2 | Very low | 41.6 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 65% | 0.648 | 77% | 0.767 | S | S | * | * | trans | 70.1 | 119.8 | 172.2 | -171.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 136 | Q | 39.1 | Very low | 42.1 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | cis | -160.5 | 156.5 | 7.4 | -130.2 | 167 | 9.5 | 0 | 0 | 114.4 | ||||
| 137 | S | 39.3 | Very low | 42.9 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | 50.3 | 111.3 | 138.1 | -169.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 138 | I | 39.9 | Very low | 43.7 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | 82.9 | 135.4 | 60.3 | -66.1 | 162.7 | 0 | 0 | 0 | 114.4 | |||||
| 139 | R | 39.4 | Very low | 44.5 | Very low | 233 Ų | 233 | 146.4 Ų | 146.4 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | 68.8 | 143.2 | -179.8 | -74 | 166.1 | 176 | 165 | -2.5 | 114.1 | ||||
| 140 | E | 39.7 | Very low | 45.5 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | cis | -127 | 147.5 | 25.8 | -66 | 175.6 | 159.8 | 0 | 0 | 115.1 | ||||
| 141 | T | 37.9 | Very low | 46.7 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -88.8 | 113.8 | 170.7 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 142 | N | 43.5 | Very low | 48.3 | Very low | 131 Ų | 131 | 134 Ų | 134 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | -143.4 | 97.1 | 169.5 | -89.1 | -54 | 0 | 0 | 0 | 111.9 | S144 | N142-S144 PolarHBondContact O-N 3.04Å; N142-S144 VanDerWaalsContact O-N 3.14Å | ||
| 143 | T | 38 | Very low | 50 | Low | 137 Ų | 137 | 133.3 Ų | 133.3 | 84% | 0.84 | 70% | 0.704 | S | S | * | * | trans | 10 | 83 | 159.3 | 56.4 | 0 | 0 | 0 | 0 | 117.8 | H145 | T143-H145 PolarHBondContact O-N 3.16Š| ||
| 144 | S | 48.1 | Very low | 51.8 | Low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | trans | -76.8 | 111.5 | 158.2 | 45 | 0 | 0 | 0 | 0 | 109.5 | N142 | N142-S144 PolarHBondContact O-N 3.04Å; N142-S144 VanDerWaalsContact O-N 3.14Å | ||
| 145 | H | 55.9 | Low | 53.5 | Low | 182 Ų | 182 | 124.5 Ų | 124.5 | 84% | 0.843 | 66% | 0.663 | S | S | * | * | trans | -56.1 | 129.6 | 163.4 | -86.9 | -71.3 | 0 | 0 | 0 | 108.6 | T143 R147 | T143-H145 PolarHBondContact O-N 3.16Å; H145-R147 PolarHBondContact O-N 3.2Å | ||
| 146 | P | 54.9 | Low | 55.2 | Low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 66% | 0.663 | S | S | * | * | trans | -64.4 | 108.1 | 168 | 27.2 | -31.8 | 0 | 0 | 0 | 107.4 | S148 | P146-S148 PolarHBondContact O-N 2.73Š| ||
| 147 | R | 58.1 | Low | 57.3 | Low | 225 Ų | 225 | 121.8 Ų | 121.8 | 85% | 0.849 | 65% | 0.645 | S | S | * | * | trans | -51.7 | 128.3 | 165.7 | -91.9 | -178.3 | 164.8 | 144.3 | -3.5 | 107.1 | H145 H149 | H145-R147 PolarHBondContact O-N 3.2Å; R147-H149 PolarHBondContact O-N 2.81Å; R147-H149 VanDerWaalsContact O-N 3.16Å | ||
| 148 | S | 54.9 | Low | 59.3 | Low | 71 Ų | 71 | 123.1 Ų | 123.1 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | trans | -50.6 | 123.9 | -175.8 | 43.7 | 0 | 0 | 0 | 0 | 110.1 | P146 S150 H151 G152 | P146-S148 PolarHBondContact O-N 2.73Å; S148-S150 PolarHBondContact O-N 3.14Å; S148-S150 VanDerWaalsContact O-N 3.12Å; S148-H151 WeakPolarHBondContact O-CB 3.39Å; S148-H151 PolarHBondContact O-N 3.46Å; S148-G152 PolarHBondContact O-N 2.9Å | ||
| 149 | H | 57.7 | Low | 61.3 | Low | 148 Ų | 148 | 123.6 Ų | 123.6 | 69% | 0.685 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -58.2 | -32.6 | -172.8 | -166.4 | -18.4 | 0 | 0 | 0 | 111.4 | R147 H151 G152 Q153 | R147-H149 PolarHBondContact O-N 2.81Å; R147-H149 VanDerWaalsContact O-N 3.16Å; H149-H151 PolarHBondContact O-N 3.05Å; H149-G152 PolarHBondContact O-N 3.45Å; H149-Q153 PolarHBondContact O-N 2.89Å |
| 150 | S | 60.7 | Low | 63.2 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 52% | 0.524 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60 | -36.6 | 171.8 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | S148 G152 Q153 A154 | S148-S150 PolarHBondContact O-N 3.14Å; S148-S150 VanDerWaalsContact O-N 3.12Å; S150-G152 VanDerWaalsContact C-N 3.33Å; S150-Q153 PolarHBondContact O-N 2.69Å; S150-A154 VanDerWaalsContact O-CB 3.29Å; S150-A154 WeakPolarHBondContact O-CB 3.42Å; S150-A154 PolarHBondContact O-N 3.2Å |
| 151 | H | 63.9 | Low | 65.3 | Low | 113 Ų | 113 | 115.4 Ų | 115.4 | 52% | 0.523 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.4 | -34.4 | 174.4 | -177.1 | 66 | 0 | 0 | 0 | 111.5 | S148 H149 E155 | S148-H151 WeakPolarHBondContact O-CB 3.39Å; S148-H151 PolarHBondContact O-N 3.46Å; H149-H151 PolarHBondContact O-N 3.05Å; H151-E155 VanDerWaalsContact O-CB 3.31Å; H151-E155 WeakPolarHBondContact O-CB 3.28Å; H151-E155 PolarHBondContact O-N 3.3Å |
| 152 | G | 76.5 | Confident | 67.2 | Low | 39 Ų | 39 | 112.3 Ų | 112.3 | 40% | 0.402 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.4 | -47.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S148 H149 S150 Q156 | S148-G152 PolarHBondContact O-N 2.9Å; H149-G152 PolarHBondContact O-N 3.45Å; S150-G152 VanDerWaalsContact C-N 3.33Å; G152-Q156 VanDerWaalsContact O-CB 3.3Å; G152-Q156 WeakPolarHBondContact O-CB 3.48Å; G152-Q156 PolarHBondContact O-N 3.31Å |
| 153 | Q | 79.9 | Confident | 68.8 | Low | 103 Ų | 103 | 109.5 Ų | 109.5 | 48% | 0.481 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64 | -46.2 | 176.5 | -72.7 | 172.6 | -22.6 | 0 | 0 | 112.1 | H149 S150 E155 Q156 I157 | H149-Q153 PolarHBondContact O-N 2.89Å; S150-Q153 PolarHBondContact O-N 2.69Å; Q153-E155 PolarHBondContact O-N 3.06Å; Q153-Q156 WeakPolarHBondContact O-CB 3.38Å; Q153-Q156 PolarHBondContact O-N 3.29Å; Q153-Q156 VanDerWaalsContact O-N 3.17Å; Q153-I157 VanDerWaalsContact O-CG1 3.29Å; Q153-I157 WeakPolarHBondContact O-CG1 3.37Å; Q153-I157 PolarHBondContact O-N 3.4Å |
| 154 | A | 78 | Confident | 70.8 | Confident | 57 Ų | 57 | 107.9 Ų | 107.9 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.9 | -42.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S150 I157 R158 | S150-A154 VanDerWaalsContact O-CB 3.29Å; S150-A154 WeakPolarHBondContact O-CB 3.42Å; S150-A154 PolarHBondContact O-N 3.2Å; A154-I157 PolarHBondContact O-N 2.82Å; A154-R158 WeakPolarHBondContact O-CB 2.98Å; A154-R158 PolarHBondContact O-N 3.4Å |
| 155 | E | 75.8 | Confident | 72.2 | Confident | 48 Ų | 48 | 106.4 Ų | 106.4 | 22% | 0.224 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -69 | -32.6 | 174.5 | 175 | 62.8 | -178.3 | 0 | 0 | 112.2 | H151 Q153 R158 R159 | H151-E155 VanDerWaalsContact O-CB 3.31Å; H151-E155 WeakPolarHBondContact O-CB 3.28Å; H151-E155 PolarHBondContact O-N 3.3Å; Q153-E155 PolarHBondContact O-N 3.06Å; E155-R158 VanDerWaalsContact CD-NH2 3.31Å; E155-R158 IonicContact OE1-CZ 3.41Å; E155-R158 IonicContact OE1-NH2 3.75Å; E155-R158 PolarHBondContact OE1-NH2 2.82Å; E155-R158 IonicContact OE2-CZ 3.08Å; E155-R158 VanDerWaalsContact OE2-CZ 3.32Å; E155-R158 IonicContact OE2-NE 3.55Å; E155-R158 PolarHBondContact OE2-NE 3.02Å; E155-R158 IonicContact OE2-NH2 3.68Å; E155-R158 PolarHBondContact OE2-NH2 3.43Å; E155-R159 WeakPolarHBondContact O-CB 2.93Å; E155-R159 VanDerWaalsContact O-CG 3.23Å; E155-R159 WeakPolarHBondContact O-CG 3.13Å; E155-R159 PolarHBondContact O-N 3.4Å; E155-R159 IonicContact OE1-CZ 2.8Å; E155-R159 IonicContact OE1-NE 3.81Å; E155-R159 PolarHBondContact OE1-NE 3.08Å; E155-R159 IonicContact OE1-NH2 3.01Å; E155-R159 PolarHBondContact OE1-NH2 3.36Å |
| 156 | Q | 79.4 | Confident | 73.2 | Confident | 140 Ų | 140 | 99.4 Ų | 99.4 | 65% | 0.654 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.6 | -43.9 | 173 | -177.3 | 173.2 | -9.8 | 0 | 0 | 111.8 | G152 Q153 R159 S160 | G152-Q156 VanDerWaalsContact O-CB 3.3Å; G152-Q156 WeakPolarHBondContact O-CB 3.48Å; G152-Q156 PolarHBondContact O-N 3.31Å; Q153-Q156 WeakPolarHBondContact O-CB 3.38Å; Q153-Q156 PolarHBondContact O-N 3.29Å; Q153-Q156 VanDerWaalsContact O-N 3.17Å; Q156-R159 PolarHBondContact O-N 3.18Å; Q156-S160 PolarHBondContact O-N 2.9Å; Q156-S160 PolarHBondContact O-OG 2.59Å |
| 157 | I | 81.2 | Confident | 74.2 | Confident | 87 Ų | 87 | 96.8 Ų | 96.8 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 174.1 | -67.7 | 163 | 0 | 0 | 0 | 110.5 | Q153 A154 R159 S160 R161 | Q153-I157 VanDerWaalsContact O-CG1 3.29Å; Q153-I157 WeakPolarHBondContact O-CG1 3.37Å; Q153-I157 PolarHBondContact O-N 3.4Å; A154-I157 PolarHBondContact O-N 2.82Å; I157-R159 VanDerWaalsContact C-N 3.32Å; I157-R159 PolarHBondContact O-N 2.94Å; I157-S160 WeakPolarHBondContact CA-OG 3.43Å; I157-S160 PolarHBondContact O-N 2.84Å; I157-S160 PolarHBondContact O-OG 3.04Å; I157-S160 VanDerWaalsContact O-OG 3.05Å; I157-R161 HydrophobicContact CG2-CG 4.47Å; I157-R161 WeakPolarHBondContact O-CB 3.35Å; I157-R161 WeakPolarHBondContact O-CG 3.45Å; I157-R161 PolarHBondContact O-N 2.94Å |
| 158 | R | 82.8 | Confident | 75.2 | Confident | 118 Ų | 118 | 91.4 Ų | 91.4 | 45% | 0.445 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 174.2 | -164.3 | -166.5 | 63.8 | 67.4 | 3.5 | 111.1 | A154 E155 E162 | A154-R158 WeakPolarHBondContact O-CB 2.98Å; A154-R158 PolarHBondContact O-N 3.4Å; E155-R158 VanDerWaalsContact CD-NH2 3.31Å; E155-R158 IonicContact OE1-CZ 3.41Å; E155-R158 IonicContact OE1-NH2 3.75Å; E155-R158 PolarHBondContact OE1-NH2 2.82Å; E155-R158 IonicContact OE2-CZ 3.08Å; E155-R158 VanDerWaalsContact OE2-CZ 3.32Å; E155-R158 IonicContact OE2-NE 3.55Å; E155-R158 PolarHBondContact OE2-NE 3.02Å; E155-R158 IonicContact OE2-NH2 3.68Å; E155-R158 PolarHBondContact OE2-NH2 3.43Å; R158-E162 IonicContact CZ-OE2 3.5Å; R158-E162 IonicContact NH1-OE2 3.35Å; R158-E162 PolarHBondContact NH1-OE2 3.09Å; R158-E162 VanDerWaalsContact O-CB 3.25Å; R158-E162 WeakPolarHBondContact O-CB 3.42Å; R158-E162 PolarHBondContact O-N 2.8Å |
| 159 | R | 80.9 | Confident | 76.3 | Confident | 153 Ų | 153 | 89.7 Ų | 89.7 | 58% | 0.577 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.4 | -37.1 | 178 | -74.5 | 174.2 | -170.2 | -170.9 | 8.3 | 113.7 | E155 Q156 I157 S163 | E155-R159 WeakPolarHBondContact O-CB 2.93Å; E155-R159 VanDerWaalsContact O-CG 3.23Å; E155-R159 WeakPolarHBondContact O-CG 3.13Å; E155-R159 PolarHBondContact O-N 3.4Å; E155-R159 IonicContact OE1-CZ 2.8Å; E155-R159 IonicContact OE1-NE 3.81Å; E155-R159 PolarHBondContact OE1-NE 3.08Å; E155-R159 IonicContact OE1-NH2 3.01Å; E155-R159 PolarHBondContact OE1-NH2 3.36Å; Q156-R159 PolarHBondContact O-N 3.18Å; I157-R159 VanDerWaalsContact C-N 3.32Å; I157-R159 PolarHBondContact O-N 2.94Å; R159-S163 WeakPolarHBondContact O-CB 3.45Å; R159-S163 PolarHBondContact O-N 3.24Å |
| 160 | S | 80.4 | Confident | 77.2 | Confident | 58 Ų | 58 | 85.1 Ų | 85.1 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.1 | -46.2 | 175.7 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | Q156 I157 E162 S163 I164 | Q156-S160 PolarHBondContact O-N 2.9Å; Q156-S160 PolarHBondContact O-OG 2.59Å; I157-S160 WeakPolarHBondContact CA-OG 3.43Å; I157-S160 PolarHBondContact O-N 2.84Å; I157-S160 PolarHBondContact O-OG 3.04Å; I157-S160 VanDerWaalsContact O-OG 3.05Å; S160-E162 PolarHBondContact O-N 2.7Å; S160-S163 PolarHBondContact O-N 3.35Å; S160-S163 VanDerWaalsContact O-N 3.13Å; S160-I164 VanDerWaalsContact O-CG1 3.31Å; S160-I164 WeakPolarHBondContact O-CG1 3.43Å; S160-I164 PolarHBondContact O-N 3.41Å |
| 161 | R | 82.2 | Confident | 78 | Confident | 175 Ų | 175 | 84 Ų | 84 | 66% | 0.66 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -54.7 | -51 | 170.8 | -72.6 | 179 | 174.8 | -170.2 | -2.6 | 111.4 | I157 S163 I164 T165 | I157-R161 HydrophobicContact CG2-CG 4.47Å; I157-R161 WeakPolarHBondContact O-CB 3.35Å; I157-R161 WeakPolarHBondContact O-CG 3.45Å; I157-R161 PolarHBondContact O-N 2.94Å; R161-S163 VanDerWaalsContact C-N 3.29Å; R161-S163 PolarHBondContact O-N 3.14Å; R161-I164 PolarHBondContact O-N 3.04Å; R161-T165 PolarHBondContact O-N 2.04Å; R161-T165 PolarHBondContact O-OG1 3.26Å; R161-T165 VanDerWaalsContact O-OG1 3.09Å |
| 162 | E | 78.7 | Confident | 78.5 | Confident | 69 Ų | 69 | 84.7 Ų | 84.7 | 32% | 0.322 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -55.5 | -43.7 | 175.8 | -166 | -158.1 | 119.9 | 0 | 0 | 111.6 | R158 S160 F166 K203 | R158-E162 IonicContact CZ-OE2 3.5Å; R158-E162 IonicContact NH1-OE2 3.35Å; R158-E162 PolarHBondContact NH1-OE2 3.09Å; R158-E162 VanDerWaalsContact O-CB 3.25Å; R158-E162 WeakPolarHBondContact O-CB 3.42Å; R158-E162 PolarHBondContact O-N 2.8Å; S160-E162 PolarHBondContact O-N 2.7Å; E162-F166 HydrophobicContact CG-CD2 3.9Å; E162-F166 HydrophobicContact CG-CE2 3.8Å; E162-F166 WeakPolarHBondContact O-CD2 3.22Å; E162-F166 PolarHBondContact O-N 3.35Å; E162-K203 IonicContact OE1-NZ 2.9Å; E162-K203 PolarHBondContact OE1-NZ 2.89Å |
| 163 | S | 78 | Confident | 78.6 | Confident | 73 Ų | 73 | 83.1 Ų | 83.1 | 51% | 0.51 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 179.3 | -161.3 | 0 | 0 | 0 | 0 | 113 | R159 S160 R161 F166 A167 | R159-S163 WeakPolarHBondContact O-CB 3.45Å; R159-S163 PolarHBondContact O-N 3.24Å; S160-S163 PolarHBondContact O-N 3.35Å; S160-S163 VanDerWaalsContact O-N 3.13Å; R161-S163 VanDerWaalsContact C-N 3.29Å; R161-S163 PolarHBondContact O-N 3.14Å; S163-F166 PolarHBondContact O-N 2.93Å; S163-A167 WeakPolarHBondContact O-CB 3.38Å; S163-A167 PolarHBondContact O-N 3.42Å |
| 164 | I | 79.7 | Confident | 78.4 | Confident | 103 Ų | 103 | 81.6 Ų | 81.6 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 175.9 | -67.6 | 161.7 | 0 | 0 | 0 | 109.8 | S160 R161 F166 A167 L168 | S160-I164 VanDerWaalsContact O-CG1 3.31Å; S160-I164 WeakPolarHBondContact O-CG1 3.43Å; S160-I164 PolarHBondContact O-N 3.41Å; R161-I164 PolarHBondContact O-N 3.04Å; I164-F166 VanDerWaalsContact C-N 3.3Å; I164-F166 PolarHBondContact O-N 2.81Å; I164-A167 PolarHBondContact O-N 2.77Å; I164-A167 VanDerWaalsContact O-N 3.11Å; I164-L168 HydrophobicContact CG2-CD1 4.06Å; I164-L168 WeakPolarHBondContact O-CG 3.32Å; I164-L168 PolarHBondContact O-N 2.93Å |
| 165 | T | 76.7 | Confident | 78.4 | Confident | 81 Ų | 81 | 83.2 Ų | 83.2 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.9 | -42.3 | 175.9 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | R161 I169 | R161-T165 PolarHBondContact O-N 2.04Å; R161-T165 PolarHBondContact O-OG1 3.26Å; R161-T165 VanDerWaalsContact O-OG1 3.09Å; T165-I169 HydrophobicContact CG2-CD1 4.02Å; T165-I169 WeakPolarHBondContact O-CB 3.5Å; T165-I169 VanDerWaalsContact O-CG1 3.27Å; T165-I169 WeakPolarHBondContact O-CG1 3.43Å; T165-I169 PolarHBondContact O-N 3.08Å |
| 166 | F | 76.3 | Confident | 78.2 | Confident | 34 Ų | 34 | 85.2 Ų | 85.2 | 15% | 0.149 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.3 | -35.6 | 175.7 | -87.5 | -67.3 | 0 | 0 | 0 | 113.7 | E162 S163 I164 I169 D170 K203 L207 | E162-F166 HydrophobicContact CG-CD2 3.9Å; E162-F166 HydrophobicContact CG-CE2 3.8Å; E162-F166 WeakPolarHBondContact O-CD2 3.22Å; E162-F166 PolarHBondContact O-N 3.35Å; S163-F166 PolarHBondContact O-N 2.93Å; I164-F166 VanDerWaalsContact C-N 3.3Å; I164-F166 PolarHBondContact O-N 2.81Å; F166-I169 PolarHBondContact O-N 3.19Å; F166-D170 WeakPolarHBondContact O-CB 3.49Å; F166-D170 PolarHBondContact O-N 3.24Å; F166-K203 HydrophobicContact CD1-CB 4.39Å; F166-K203 HydrophobicContact CD1-CD 4.04Å; F166-K203 HydrophobicContact CD1-CG 3.76Å; F166-K203 HydrophobicContact CD2-CD 3.85Å; F166-K203 HydrophobicContact CD2-CG 4.47Å; F166-K203 HydrophobicContact CE1-CB 4Å; F166-K203 HydrophobicContact CE1-CD 3.95Å; F166-K203 HydrophobicContact CE1-CG 3.81Å; F166-K203 HydrophobicContact CE2-CD 3.77Å; F166-K203 HydrophobicContact CG-CD 3.99Å; F166-K203 VanDerWaalsContact CG-CE 3.49Å; F166-K203 HydrophobicContact CG-CG 4.12Å; F166-K203 HydrophobicContact CZ-CB 4.43Å; F166-K203 HydrophobicContact CZ-CD 3.83Å; F166-K203 HydrophobicContact CZ-CG 4.21Å; F166-L207 HydrophobicContact CE1-CD1 4.21Å; F166-L207 HydrophobicContact CE1-CD2 4.18Å; F166-L207 HydrophobicContact CE1-CG 3.93Å; F166-L207 HydrophobicContact CZ-CD1 4.02Å; F166-L207 HydrophobicContact CZ-CD2 4.29Å; F166-L207 HydrophobicContact CZ-CG 4.18Å |
| 167 | A | 76.7 | Confident | 77.9 | Confident | 63 Ų | 63 | 82.2 Ų | 82.2 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S163 I164 I169 D170 A171 | S163-A167 WeakPolarHBondContact O-CB 3.38Å; S163-A167 PolarHBondContact O-N 3.42Å; I164-A167 PolarHBondContact O-N 2.77Å; I164-A167 VanDerWaalsContact O-N 3.11Å; A167-I169 VanDerWaalsContact C-N 3.35Å; A167-I169 PolarHBondContact O-N 3.27Å; A167-D170 PolarHBondContact O-N 3.23Å; A167-A171 WeakPolarHBondContact O-CB 3.44Å; A167-A171 PolarHBondContact O-N 3.15Å |
| 168 | L | 79.1 | Confident | 77.5 | Confident | 112 Ų | 112 | 80.7 Ų | 80.7 | 59% | 0.586 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61 | -42.8 | 174.3 | -68.2 | 170.7 | 0 | 0 | 0 | 111.7 | I164 Q172 | I164-L168 HydrophobicContact CG2-CD1 4.06Å; I164-L168 WeakPolarHBondContact O-CG 3.32Å; I164-L168 PolarHBondContact O-N 2.93Å; L168-Q172 WeakPolarHBondContact O-CB 3.16Å; L168-Q172 VanDerWaalsContact O-CG 3.32Å; L168-Q172 WeakPolarHBondContact O-CG 3.44Å; L168-Q172 PolarHBondContact O-N 2.86Å |
| 169 | I | 77 | Confident | 77.3 | Confident | 35 Ų | 35 | 76 Ų | 76 | 18% | 0.179 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 173.4 | -70.2 | 167 | 0 | 0 | 0 | 111.3 | T165 F166 A167 A171 Q172 L173 N206 V210 | T165-I169 HydrophobicContact CG2-CD1 4.02Å; T165-I169 WeakPolarHBondContact O-CB 3.5Å; T165-I169 VanDerWaalsContact O-CG1 3.27Å; T165-I169 WeakPolarHBondContact O-CG1 3.43Å; T165-I169 PolarHBondContact O-N 3.08Å; F166-I169 PolarHBondContact O-N 3.19Å; A167-I169 VanDerWaalsContact C-N 3.35Å; A167-I169 PolarHBondContact O-N 3.27Å; I169-A171 VanDerWaalsContact C-N 3.34Å; I169-A171 PolarHBondContact O-N 3.28Å; I169-Q172 PolarHBondContact O-N 3.19Å; I169-L173 HydrophobicContact CG2-CD1 3.79Å; I169-L173 HydrophobicContact CG2-CG 4.22Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 VanDerWaalsContact O-CG 3.26Å; I169-L173 WeakPolarHBondContact O-CG 3.17Å; I169-L173 PolarHBondContact O-N 3.15Å; I169-N206 HydrophobicContact CG2-CB 3.88Å; I169-V210 HydrophobicContact CG1-CG2 4.42Å; I169-V210 HydrophobicContact CG2-CG2 3.61Å |
| 170 | D | 78 | Confident | 77.1 | Confident | 51 Ų | 51 | 74.3 Ų | 74.3 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65 | -39 | -178.6 | -150.8 | 98.2 | 0 | 0 | 0 | 111.8 | F166 A167 L173 S174 R182 N206 | F166-D170 WeakPolarHBondContact O-CB 3.49Å; F166-D170 PolarHBondContact O-N 3.24Å; A167-D170 PolarHBondContact O-N 3.23Å; D170-L173 CarbonylContact O-C 3.59Å; D170-L173 PolarHBondContact O-N 2.91Å; D170-S174 PolarHBondContact O-N 3.45Å; D170-R182 VanDerWaalsContact CG-NH1 3.31Å; D170-R182 PolarHBondContact O-NH1 3.41Å; D170-R182 IonicContact OD1-CZ 3.54Å; D170-R182 IonicContact OD1-NH1 3.62Å; D170-R182 IonicContact OD1-NH2 2.97Å; D170-R182 PolarHBondContact OD1-NH2 3.01Å; D170-R182 IonicContact OD2-CZ 3.22Å; D170-R182 VanDerWaalsContact OD2-CZ 3.22Å; D170-R182 IonicContact OD2-NH1 2.78Å; D170-R182 PolarHBondContact OD2-NH1 3.13Å; D170-R182 IonicContact OD2-NH2 3.82Å; D170-R182 PolarHBondContact OD2-NH2 3.32Å; D170-N206 PolarHBondContact OD1-ND2 3.35Å |
| 171 | A | 76.5 | Confident | 76.7 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 44% | 0.438 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65 | -49.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A167 I169 L173 S174 | A167-A171 WeakPolarHBondContact O-CB 3.44Å; A167-A171 PolarHBondContact O-N 3.15Å; I169-A171 VanDerWaalsContact C-N 3.34Å; I169-A171 PolarHBondContact O-N 3.28Å; A171-L173 PolarHBondContact O-N 3.13Å; A171-S174 PolarHBondContact O-N 3.14Å; A171-S174 PolarHBondContact O-OG 3.17Å |
| 172 | Q | 75 | Confident | 76.2 | Confident | 127 Ų | 127 | 67.3 Ų | 67.3 | 59% | 0.593 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.7 | -33.2 | 177 | -70.7 | -69.2 | -19.7 | 0 | 0 | 112.3 | L168 I169 | L168-Q172 WeakPolarHBondContact O-CB 3.16Å; L168-Q172 VanDerWaalsContact O-CG 3.32Å; L168-Q172 WeakPolarHBondContact O-CG 3.44Å; L168-Q172 PolarHBondContact O-N 2.86Å; I169-Q172 PolarHBondContact O-N 3.19Å |
| 173 | L | 77.8 | Confident | 75.9 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 0.5 | 175.4 | -64.5 | -177.2 | 0 | 0 | 0 | 114.8 | I169 D170 A171 L178 S179 R182 N206 V209 V210 | I169-L173 HydrophobicContact CG2-CD1 3.79Å; I169-L173 HydrophobicContact CG2-CG 4.22Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 VanDerWaalsContact O-CG 3.26Å; I169-L173 WeakPolarHBondContact O-CG 3.17Å; I169-L173 PolarHBondContact O-N 3.15Å; D170-L173 CarbonylContact O-C 3.59Å; D170-L173 PolarHBondContact O-N 2.91Å; A171-L173 PolarHBondContact O-N 3.13Å; L173-L178 HydrophobicContact CD2-CB 4.01Å; L173-L178 HydrophobicContact CD2-CD1 4.13Å; L173-S179 VanDerWaalsContact O-CA 3.31Å; L173-S179 WeakPolarHBondContact O-CA 3.04Å; L173-S179 PolarHBondContact O-N 2.86Å; L173-R182 WeakPolarHBondContact O-CD 3.27Å; L173-N206 VanDerWaalsContact CD1-CA 3.47Å; L173-N206 HydrophobicContact CD1-CB 3.67Å; L173-V209 HydrophobicContact CD1-CB 4.12Å; L173-V209 HydrophobicContact CD1-CG1 4.39Å; L173-V209 HydrophobicContact CD2-CB 4.25Å; L173-V209 HydrophobicContact CD2-CG1 3.62Å; L173-V210 HydrophobicContact CD1-CG2 4.17Å |
| 174 | S | 77.3 | Confident | 75.8 | Confident | 70 Ų | 70 | 68.4 Ų | 68.4 | 49% | 0.49 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -12.3 | 170.5 | 72.4 | 0 | 0 | 0 | 0 | 112.5 | D170 A171 S179 | D170-S174 PolarHBondContact O-N 3.45Å; A171-S174 PolarHBondContact O-N 3.14Å; A171-S174 PolarHBondContact O-OG 3.17Å; S174-S179 VanDerWaalsContact O-CB 3.32Å; S174-S179 WeakPolarHBondContact O-CB 3.42Å |
| 175 | I | 77.3 | Confident | 75.3 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -82.2 | 133.6 | 177.9 | -56.3 | 169.2 | 0 | 0 | 0 | 109.8 | L178 S179 | I175-L178 WeakPolarHBondContact O-CB 3.47Å; I175-L178 PolarHBondContact O-N 3.49Å; I175-S179 PolarHBondContact O-N 3.17Å; I175-S179 VanDerWaalsContact O-N 3.1Å |
| 176 | P | 71.6 | Confident | 75.2 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 146.9 | 171.9 | -22.1 | 33.8 | 0 | 0 | 0 | 112.4 | S179 | P176-S179 WeakPolarHBondContact CA-OG 3.22Š|
| 177 | P | 73.6 | Confident | 75 | Confident | 77 Ų | 77 | 69.4 Ų | 69.4 | 50% | 0.5 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -83.2 | -4.3 | 0.6 | 34.3 | -36.6 | 0 | 0 | 0 | 113.9 | S179 Q180 V181 | P177-S179 VanDerWaalsContact C-N 3.28Å; P177-S179 PolarHBondContact O-N 2.9Å; P177-Q180 WeakPolarHBondContact O-CB 3.43Å; P177-Q180 PolarHBondContact O-N 2.98Å; P177-V181 PolarHBondContact O-N 2.79Å |
| 178 | L | 72.8 | Confident | 74.6 | Confident | 54 Ų | 54 | 71.9 Ų | 71.9 | 28% | 0.283 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.3 | -32 | -173.5 | -61.8 | 177 | 0 | 0 | 0 | 112.8 | L173 I175 Q180 V181 R182 V213 | L173-L178 HydrophobicContact CD2-CB 4.01Å; L173-L178 HydrophobicContact CD2-CD1 4.13Å; I175-L178 WeakPolarHBondContact O-CB 3.47Å; I175-L178 PolarHBondContact O-N 3.49Å; L178-Q180 VanDerWaalsContact C-N 3.34Å; L178-Q180 PolarHBondContact O-N 2.73Å; L178-V181 PolarHBondContact O-N 2.72Å; L178-R182 WeakPolarHBondContact O-CB 3.29Å; L178-R182 PolarHBondContact O-N 3.18Å; L178-V213 HydrophobicContact CD2-CG2 3.93Å |
| 179 | S | 76.8 | Confident | 73.9 | Confident | 20 Ų | 20 | 72.6 Ų | 72.6 | 14% | 0.14 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.7 | -41 | 170.4 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | L173 S174 I175 P176 P177 V181 R182 D183 | L173-S179 VanDerWaalsContact O-CA 3.31Å; L173-S179 WeakPolarHBondContact O-CA 3.04Å; L173-S179 PolarHBondContact O-N 2.86Å; S174-S179 VanDerWaalsContact O-CB 3.32Å; S174-S179 WeakPolarHBondContact O-CB 3.42Å; I175-S179 PolarHBondContact O-N 3.17Å; I175-S179 VanDerWaalsContact O-N 3.1Å; P176-S179 WeakPolarHBondContact CA-OG 3.22Å; P177-S179 VanDerWaalsContact C-N 3.28Å; P177-S179 PolarHBondContact O-N 2.9Å; S179-V181 VanDerWaalsContact C-N 3.33Å; S179-V181 PolarHBondContact O-N 2.92Å; S179-R182 WeakPolarHBondContact O-CB 3.49Å; S179-R182 PolarHBondContact O-N 3.5Å; S179-D183 WeakPolarHBondContact O-CB 3.34Å; S179-D183 VanDerWaalsContact O-CG 3.31Å; S179-D183 PolarHBondContact O-N 2.56Å |
| 180 | Q | 76.6 | Confident | 73.1 | Confident | 117 Ų | 117 | 75.2 Ų | 75.2 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 177.8 | -56.4 | 178.8 | 3.2 | 0 | 0 | 111.4 | P177 L178 M184 | P177-Q180 WeakPolarHBondContact O-CB 3.43Å; P177-Q180 PolarHBondContact O-N 2.98Å; L178-Q180 VanDerWaalsContact C-N 3.34Å; L178-Q180 PolarHBondContact O-N 2.73Å; Q180-M184 VanDerWaalsContact O-CB 3.24Å; Q180-M184 WeakPolarHBondContact O-CB 3.19Å; Q180-M184 PolarHBondContact O-N 3.01Å |
| 181 | V | 72.6 | Confident | 72 | Confident | 60 Ų | 60 | 76.6 Ų | 76.6 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.1 | -42.4 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | P177 L178 S179 Y185 V209 | P177-V181 PolarHBondContact O-N 2.79Å; L178-V181 PolarHBondContact O-N 2.72Å; S179-V181 VanDerWaalsContact C-N 3.33Å; S179-V181 PolarHBondContact O-N 2.92Å; V181-Y185 WeakPolarHBondContact O-CB 3.35Å; V181-Y185 PolarHBondContact O-N 3.16Å; V181-V209 HydrophobicContact CG1-CG1 4.32Å; V181-V209 HydrophobicContact CG1-CG2 4.33Å |
| 182 | R | 73.2 | Confident | 70.7 | Confident | 26 Ų | 26 | 79 Ų | 79 | 10% | 0.098 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 174.3 | 172.9 | -175.3 | 173.9 | 168.9 | 3.5 | 111.4 | D170 L173 L178 S179 Y185 L186 | D170-R182 VanDerWaalsContact CG-NH1 3.31Å; D170-R182 PolarHBondContact O-NH1 3.41Å; D170-R182 IonicContact OD1-CZ 3.54Å; D170-R182 IonicContact OD1-NH1 3.62Å; D170-R182 IonicContact OD1-NH2 2.97Å; D170-R182 PolarHBondContact OD1-NH2 3.01Å; D170-R182 IonicContact OD2-CZ 3.22Å; D170-R182 VanDerWaalsContact OD2-CZ 3.22Å; D170-R182 IonicContact OD2-NH1 2.78Å; D170-R182 PolarHBondContact OD2-NH1 3.13Å; D170-R182 IonicContact OD2-NH2 3.82Å; D170-R182 PolarHBondContact OD2-NH2 3.32Å; L173-R182 WeakPolarHBondContact O-CD 3.27Å; L178-R182 WeakPolarHBondContact O-CB 3.29Å; L178-R182 PolarHBondContact O-N 3.18Å; S179-R182 WeakPolarHBondContact O-CB 3.49Å; S179-R182 PolarHBondContact O-N 3.5Å; R182-Y185 PolarHBondContact O-N 3.02Å; R182-L186 HydrophobicContact CG-CD1 4.06Å; R182-L186 WeakPolarHBondContact O-CG 3.46Å; R182-L186 PolarHBondContact O-N 3.11Å |
| 183 | D | 72 | Confident | 69.4 | Low | 78 Ų | 78 | 76.3 Ų | 76.3 | 42% | 0.417 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.9 | -40.1 | -178.1 | -71.8 | -18.3 | 0 | 0 | 0 | 111.8 | S179 Y185 L186 Q187 | S179-D183 WeakPolarHBondContact O-CB 3.34Å; S179-D183 VanDerWaalsContact O-CG 3.31Å; S179-D183 PolarHBondContact O-N 2.56Å; D183-Y185 VanDerWaalsContact C-N 3.3Å; D183-Y185 PolarHBondContact O-N 3.34Å; D183-L186 PolarHBondContact O-N 2.91Å; D183-Q187 WeakPolarHBondContact O-CB 3.15Å; D183-Q187 WeakPolarHBondContact O-CG 3.18Å; D183-Q187 PolarHBondContact O-N 3.33Å |
| 184 | M | 75.6 | Confident | 68 | Low | 87 Ų | 87 | 82.1 Ų | 82.1 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.2 | -42.2 | 170.5 | 178.6 | 177.9 | 68.4 | 0 | 0 | 111.8 | Q180 T188 | Q180-M184 VanDerWaalsContact O-CB 3.24Å; Q180-M184 WeakPolarHBondContact O-CB 3.19Å; Q180-M184 PolarHBondContact O-N 3.01Å; M184-T188 VanDerWaalsContact O-CB 3.29Å; M184-T188 WeakPolarHBondContact O-CB 3.02Å; M184-T188 PolarHBondContact O-N 3.34Å; M184-T188 PolarHBondContact O-OG1 2.89Å |
| 185 | Y | 69.6 | Low | 66.7 | Low | 62 Ų | 62 | 84 Ų | 84 | 24% | 0.243 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -68.7 | -36.4 | 176.8 | -169.6 | -87.8 | 0 | 0 | 0 | 112.6 | V181 R182 D183 R189 A205 S208 | V181-Y185 WeakPolarHBondContact O-CB 3.35Å; V181-Y185 PolarHBondContact O-N 3.16Å; R182-Y185 PolarHBondContact O-N 3.02Å; D183-Y185 VanDerWaalsContact C-N 3.3Å; D183-Y185 PolarHBondContact O-N 3.34Å; Y185-R189 HydrophobicContact CE1-CG 4.46Å; Y185-R189 WeakPolarHBondContact O-CG 2.89Å; Y185-R189 PolarHBondContact O-N 3.45Å; Y185-R189 PolarHBondContact OH-NE 2.76Å; Y185-R189 PolarHBondContact OH-NH2 3.43Å; Y185-A205 HydrophobicContact CD1-CB 3.63Å; Y185-A205 HydrophobicContact CE1-CB 4.04Å; Y185-S208 WeakPolarHBondContact CE2-OG 3.5Å; Y185-S208 PolarHBondContact OH-OG 2.88Å |
| 186 | L | 73.4 | Confident | 65.2 | Low | 37 Ų | 37 | 87 Ų | 87 | 19% | 0.194 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -68.8 | -46.7 | 174.2 | -71.9 | 169.8 | 0 | 0 | 0 | 111.5 | R182 D183 T188 R189 S190 A205 | R182-L186 HydrophobicContact CG-CD1 4.06Å; R182-L186 WeakPolarHBondContact O-CG 3.46Å; R182-L186 PolarHBondContact O-N 3.11Å; D183-L186 PolarHBondContact O-N 2.91Å; L186-T188 PolarHBondContact O-N 2.93Å; L186-R189 CarbonylContact O-C 3.54Å; L186-R189 PolarHBondContact O-N 3.29Å; L186-R189 VanDerWaalsContact O-N 3.11Å; L186-S190 WeakPolarHBondContact O-CB 3.46Å; L186-S190 PolarHBondContact O-N 2.85Å; L186-A205 HydrophobicContact CD2-CB 3.78Å; L186-A205 HydrophobicContact CG-CB 4.14Å |
| 187 | Q | 72.2 | Confident | 64.2 | Low | 140 Ų | 140 | 85.5 Ų | 85.5 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.3 | -47.3 | 176.4 | -72.6 | 170.3 | 22.1 | 0 | 0 | 111.4 | D183 R189 S190 | D183-Q187 WeakPolarHBondContact O-CB 3.15Å; D183-Q187 WeakPolarHBondContact O-CG 3.18Å; D183-Q187 PolarHBondContact O-N 3.33Å; Q187-R189 PolarHBondContact O-N 3.49Å; Q187-S190 WeakPolarHBondContact O-CB 3.34Å; Q187-S190 PolarHBondContact O-N 3.46Å |
| 188 | T | 68.1 | Low | 63.3 | Low | 115 Ų | 115 | 87.3 Ų | 87.3 | 71% | 0.706 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -26.4 | 178 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | M184 L186 | M184-T188 VanDerWaalsContact O-CB 3.29Å; M184-T188 WeakPolarHBondContact O-CB 3.02Å; M184-T188 PolarHBondContact O-N 3.34Å; M184-T188 PolarHBondContact O-OG1 2.89Å; L186-T188 PolarHBondContact O-N 2.93Å |
| 189 | R | 64.4 | Low | 62.5 | Low | 128 Ų | 128 | 88 Ų | 88 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -88.3 | -20.2 | 172 | -74.2 | -176.8 | 166.7 | -74.5 | -6.4 | 114.4 | Y185 L186 Q187 | Y185-R189 HydrophobicContact CE1-CG 4.46Å; Y185-R189 WeakPolarHBondContact O-CG 2.89Å; Y185-R189 PolarHBondContact O-N 3.45Å; Y185-R189 PolarHBondContact OH-NE 2.76Å; Y185-R189 PolarHBondContact OH-NH2 3.43Å; L186-R189 CarbonylContact O-C 3.54Å; L186-R189 PolarHBondContact O-N 3.29Å; L186-R189 VanDerWaalsContact O-N 3.11Å; Q187-R189 PolarHBondContact O-N 3.49Å |
| 190 | S | 59.9 | Low | 61.4 | Low | 90 Ų | 90 | 96.5 Ų | 96.5 | 63% | 0.629 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -78.4 | -20.2 | -174.1 | -157.1 | 0 | 0 | 0 | 0 | 113.2 | L186 Q187 C192 | L186-S190 WeakPolarHBondContact O-CB 3.46Å; L186-S190 PolarHBondContact O-N 2.85Å; Q187-S190 WeakPolarHBondContact O-CB 3.34Å; Q187-S190 PolarHBondContact O-N 3.46Å; S190-C192 PolarHBondContact O-N 3.12Å |
| 191 | G | 55 | Low | 60.6 | Low | 80 Ų | 80 | 94 Ų | 94 | 83% | 0.825 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -64.1 | 16.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 192 | C | 49.2 | Very low | 60.2 | Low | 102 Ų | 102 | 92.8 Ų | 92.8 | 69% | 0.689 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -142.8 | 53.9 | 178.7 | -169.2 | 0 | 0 | 0 | 0 | 113.7 | S190 T194 | S190-C192 PolarHBondContact O-N 3.12Å; C192-T194 VanDerWaalsContact C-N 3.26Å; C192-T194 PolarHBondContact O-N 3.18Å |
| 193 | G | 49 | Very low | 60 | Low | 72 Ų | 72 | 94.9 Ų | 94.9 | 74% | 0.742 | 56% | 0.558 | S | S | * | * | trans | 64.7 | -5.1 | 145 | 0 | 0 | 0 | 0 | 0 | 120.5 | S195 | G193-S195 PolarHBondContact O-N 3.36Š| ||
| 194 | T | 48.6 | Very low | 60 | Low | 127 Ų | 127 | 95.9 Ų | 95.9 | 78% | 0.779 | 56% | 0.559 | S | S | * | * | trans | -91.3 | 87.2 | -177.6 | 59.5 | 0 | 0 | 0 | 0 | 112 | C192 N196 | C192-T194 VanDerWaalsContact C-N 3.26Å; C192-T194 PolarHBondContact O-N 3.18Å; T194-N196 VanDerWaalsContact C-N 3.29Å; T194-N196 PolarHBondContact O-N 3.39Å | ||
| 195 | S | 49.6 | Very low | 59.7 | Low | 110 Ų | 110 | 91.8 Ų | 91.8 | 77% | 0.769 | 54% | 0.538 | S | S | * | . | trans | -66.9 | 79.7 | 167.8 | 43 | 0 | 0 | 0 | 0 | 111.7 | G193 | G193-S195 PolarHBondContact O-N 3.36Š| ||
| 196 | N | 45.7 | Very low | 59.9 | Low | 156 Ų | 156 | 88.9 Ų | 88.9 | 83% | 0.834 | 53% | 0.527 | S | S | * | . | trans | -165 | 135.2 | 163 | -102.1 | -55 | 0 | 0 | 0 | 113.1 | T194 | T194-N196 VanDerWaalsContact C-N 3.29Å; T194-N196 PolarHBondContact O-N 3.39Å | ||
| 197 | S | 50 | Low | 59.9 | Low | 58 Ų | 58 | 91.4 Ų | 91.4 | 41% | 0.406 | 54% | 0.541 | S | S | . | . | trans | 73.1 | 56.9 | 171.2 | -146.2 | 0 | 0 | 0 | 0 | 118.3 | A199 R200 T201 | S197-A199 VanDerWaalsContact C-N 3.27Å; S197-A199 PolarHBondContact O-N 3.05Å; S197-R200 PolarHBondContact O-N 3.22Å; S197-R200 WeakPolarHBondContact OG-CD 3.21Å; S197-R200 WeakPolarHBondContact OG-CG 3.32Å; S197-T201 PolarHBondContact O-N 3.43Å | ||
| 198 | T | 55.2 | Low | 60 | Low | 115 Ų | 115 | 86.4 Ų | 86.4 | 71% | 0.706 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -46.9 | -44.7 | 166.2 | 46.6 | 0 | 0 | 0 | 0 | 113.6 | R200 T201 T202 | T198-R200 PolarHBondContact O-N 3.33Å; T198-T201 WeakPolarHBondContact CA-OG1 3.48Å; T198-T201 PolarHBondContact O-N 3.48Å; T198-T201 VanDerWaalsContact O-N 3.16Å; T198-T201 PolarHBondContact O-OG1 3.03Å; T198-T202 PolarHBondContact O-N 3.45Å; T198-T202 PolarHBondContact O-OG1 3.27Å |
| 199 | A | 55.7 | Low | 60.1 | Low | 67 Ų | 67 | 81.2 Ų | 81.2 | 55% | 0.554 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -19.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S197 T202 | S197-A199 VanDerWaalsContact C-N 3.27Å; S197-A199 PolarHBondContact O-N 3.05Å; A199-T202 PolarHBondContact O-OG1 2.88Å |
| 200 | R | 55 | Low | 60.5 | Low | 200 Ų | 200 | 77.3 Ų | 77.3 | 76% | 0.755 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -90.4 | -31 | 172.8 | -73.7 | -175.6 | 176.6 | -178.7 | -0.3 | 112.2 | S197 T198 K204 | S197-R200 PolarHBondContact O-N 3.22Å; S197-R200 WeakPolarHBondContact OG-CD 3.21Å; S197-R200 WeakPolarHBondContact OG-CG 3.32Å; T198-R200 PolarHBondContact O-N 3.33Å; R200-K204 PolarHBondContact O-N 2.96Å |
| 201 | T | 58.1 | Low | 61.1 | Low | 65 Ų | 65 | 79 Ų | 79 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71 | -38.2 | 173.9 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | S197 T198 K204 A205 | S197-T201 PolarHBondContact O-N 3.43Å; T198-T201 WeakPolarHBondContact CA-OG1 3.48Å; T198-T201 PolarHBondContact O-N 3.48Å; T198-T201 VanDerWaalsContact O-N 3.16Å; T198-T201 PolarHBondContact O-OG1 3.03Å; T201-K204 PolarHBondContact O-N 3.47Å; T201-A205 VanDerWaalsContact O-CB 3.26Å; T201-A205 WeakPolarHBondContact O-CB 3.49Å; T201-A205 PolarHBondContact O-N 3.22Å |
| 202 | T | 65.7 | Low | 61.8 | Low | 33 Ų | 33 | 78 Ų | 78 | 20% | 0.202 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.4 | -56.7 | 172.4 | 55.2 | 0 | 0 | 0 | 0 | 112 | T198 A199 K204 A205 N206 | T198-T202 PolarHBondContact O-N 3.45Å; T198-T202 PolarHBondContact O-OG1 3.27Å; A199-T202 PolarHBondContact O-OG1 2.88Å; T202-K204 PolarHBondContact O-N 3.21Å; T202-A205 PolarHBondContact O-N 2.67Å; T202-N206 WeakPolarHBondContact O-CB 3.35Å; T202-N206 PolarHBondContact O-N 2.9Å; T202-N206 PolarHBondContact O-OD1 2.94Å |
| 203 | K | 68.7 | Low | 62.6 | Low | 70 Ų | 70 | 75.1 Ų | 75.1 | 30% | 0.304 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -50.5 | -40.2 | 177.8 | -83.4 | -159.7 | 172.2 | -165.8 | 0 | 113 | E162 F166 L207 | E162-K203 IonicContact OE1-NZ 2.9Å; E162-K203 PolarHBondContact OE1-NZ 2.89Å; F166-K203 HydrophobicContact CD1-CB 4.39Å; F166-K203 HydrophobicContact CD1-CD 4.04Å; F166-K203 HydrophobicContact CD1-CG 3.76Å; F166-K203 HydrophobicContact CD2-CD 3.85Å; F166-K203 HydrophobicContact CD2-CG 4.47Å; F166-K203 HydrophobicContact CE1-CB 4Å; F166-K203 HydrophobicContact CE1-CD 3.95Å; F166-K203 HydrophobicContact CE1-CG 3.81Å; F166-K203 HydrophobicContact CE2-CD 3.77Å; F166-K203 HydrophobicContact CG-CD 3.99Å; F166-K203 VanDerWaalsContact CG-CE 3.49Å; F166-K203 HydrophobicContact CG-CG 4.12Å; F166-K203 HydrophobicContact CZ-CB 4.43Å; F166-K203 HydrophobicContact CZ-CD 3.83Å; F166-K203 HydrophobicContact CZ-CG 4.21Å; K203-L207 WeakPolarHBondContact O-CG 3.3Å; K203-L207 PolarHBondContact O-N 3.17Å; K203-L207 VanDerWaalsContact O-N 3.15Å |
| 204 | K | 72.1 | Confident | 63.6 | Low | 100 Ų | 100 | 75.2 Ų | 75.2 | 44% | 0.435 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -75.7 | -37.2 | 177.8 | -174.2 | 166.7 | -177.9 | 169 | 0 | 113.5 | R200 T201 T202 S208 | R200-K204 PolarHBondContact O-N 2.96Å; T201-K204 PolarHBondContact O-N 3.47Å; T202-K204 PolarHBondContact O-N 3.21Å; K204-S208 WeakPolarHBondContact O-CB 3.29Å; K204-S208 PolarHBondContact O-N 3.09Å; K204-S208 VanDerWaalsContact O-N 3.08Å |
| 205 | A | 69.4 | Low | 64.5 | Low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.3 | -49.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y185 L186 T201 T202 L207 S208 V209 | Y185-A205 HydrophobicContact CD1-CB 3.63Å; Y185-A205 HydrophobicContact CE1-CB 4.04Å; L186-A205 HydrophobicContact CD2-CB 3.78Å; L186-A205 HydrophobicContact CG-CB 4.14Å; T201-A205 VanDerWaalsContact O-CB 3.26Å; T201-A205 WeakPolarHBondContact O-CB 3.49Å; T201-A205 PolarHBondContact O-N 3.22Å; T202-A205 PolarHBondContact O-N 2.67Å; A205-L207 PolarHBondContact O-N 3.41Å; A205-S208 CarbonylContact O-C 3.53Å; A205-S208 WeakPolarHBondContact O-CA 3.16Å; A205-S208 VanDerWaalsContact O-CB 3.31Å; A205-S208 WeakPolarHBondContact O-CB 3.16Å; A205-S208 PolarHBondContact O-N 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.32Å; A205-V209 PolarHBondContact O-N 3.24Å |
| 206 | N | 72.5 | Confident | 65.1 | Low | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.5 | -49.5 | 179.4 | -65.2 | 14 | 0 | 0 | 0 | 111.9 | I169 D170 L173 T202 S208 V209 V210 | I169-N206 HydrophobicContact CG2-CB 3.88Å; D170-N206 PolarHBondContact OD1-ND2 3.35Å; L173-N206 VanDerWaalsContact CD1-CA 3.47Å; L173-N206 HydrophobicContact CD1-CB 3.67Å; T202-N206 WeakPolarHBondContact O-CB 3.35Å; T202-N206 PolarHBondContact O-N 2.9Å; T202-N206 PolarHBondContact O-OD1 2.94Å; N206-S208 VanDerWaalsContact C-N 3.28Å; N206-S208 PolarHBondContact O-N 2.82Å; N206-V209 PolarHBondContact O-N 2.8Å; N206-V210 WeakPolarHBondContact O-CG2 3.49Å; N206-V210 PolarHBondContact O-N 3.08Å |
| 207 | L | 74.5 | Confident | 66.3 | Low | 91 Ų | 91 | 76.7 Ų | 76.7 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60 | -37.8 | 173.9 | -73.9 | 171.8 | 0 | 0 | 0 | 112.5 | F166 K203 A205 H211 | F166-L207 HydrophobicContact CE1-CD1 4.21Å; F166-L207 HydrophobicContact CE1-CD2 4.18Å; F166-L207 HydrophobicContact CE1-CG 3.93Å; F166-L207 HydrophobicContact CZ-CD1 4.02Å; F166-L207 HydrophobicContact CZ-CD2 4.29Å; F166-L207 HydrophobicContact CZ-CG 4.18Å; K203-L207 WeakPolarHBondContact O-CG 3.3Å; K203-L207 PolarHBondContact O-N 3.17Å; K203-L207 VanDerWaalsContact O-N 3.15Å; A205-L207 PolarHBondContact O-N 3.41Å; L207-H211 WeakPolarHBondContact O-CB 3.49Å; L207-H211 PolarHBondContact O-N 2.92Å |
| 208 | S | 73 | Confident | 67.1 | Low | 35 Ų | 35 | 78.4 Ų | 78.4 | 25% | 0.245 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 177 | -161 | 0 | 0 | 0 | 0 | 111.8 | Y185 K204 A205 N206 T212 | Y185-S208 WeakPolarHBondContact CE2-OG 3.5Å; Y185-S208 PolarHBondContact OH-OG 2.88Å; K204-S208 WeakPolarHBondContact O-CB 3.29Å; K204-S208 PolarHBondContact O-N 3.09Å; K204-S208 VanDerWaalsContact O-N 3.08Å; A205-S208 CarbonylContact O-C 3.53Å; A205-S208 WeakPolarHBondContact O-CA 3.16Å; A205-S208 VanDerWaalsContact O-CB 3.31Å; A205-S208 WeakPolarHBondContact O-CB 3.16Å; A205-S208 PolarHBondContact O-N 3.31Å; N206-S208 VanDerWaalsContact C-N 3.28Å; N206-S208 PolarHBondContact O-N 2.82Å; S208-T212 WeakPolarHBondContact O-CB 3.43Å; S208-T212 PolarHBondContact O-N 3.11Å; S208-T212 VanDerWaalsContact O-N 3.13Å; S208-T212 PolarHBondContact O-OG1 2.65Å |
| 209 | V | 71.1 | Confident | 67.6 | Low | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.03 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.7 | -47.7 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | L173 V181 A205 N206 H211 T212 V213 | L173-V209 HydrophobicContact CD1-CB 4.12Å; L173-V209 HydrophobicContact CD1-CG1 4.39Å; L173-V209 HydrophobicContact CD2-CB 4.25Å; L173-V209 HydrophobicContact CD2-CG1 3.62Å; V181-V209 HydrophobicContact CG1-CG1 4.32Å; V181-V209 HydrophobicContact CG1-CG2 4.33Å; A205-V209 WeakPolarHBondContact O-CG2 3.32Å; A205-V209 PolarHBondContact O-N 3.24Å; N206-V209 PolarHBondContact O-N 2.8Å; V209-H211 PolarHBondContact O-N 2.97Å; V209-T212 CarbonylContact O-C 3.54Å; V209-T212 WeakPolarHBondContact O-CA 3.17Å; V209-T212 WeakPolarHBondContact O-CB 3.23Å; V209-T212 PolarHBondContact O-N 2.9Å; V209-V213 HydrophobicContact CG1-CG2 4.21Å; V209-V213 WeakPolarHBondContact O-CG2 3.34Å; V209-V213 PolarHBondContact O-N 2.86Å |
| 210 | V | 72.2 | Confident | 68.2 | Low | 46 Ų | 46 | 77.3 Ų | 77.3 | 28% | 0.279 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.1 | -49.1 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | I169 L173 N206 T212 V213 V214 | I169-V210 HydrophobicContact CG1-CG2 4.42Å; I169-V210 HydrophobicContact CG2-CG2 3.61Å; L173-V210 HydrophobicContact CD1-CG2 4.17Å; N206-V210 WeakPolarHBondContact O-CG2 3.49Å; N206-V210 PolarHBondContact O-N 3.08Å; V210-T212 PolarHBondContact O-N 3.33Å; V210-V213 PolarHBondContact O-N 2.99Å; V210-V214 HydrophobicContact CG1-CG2 4.11Å; V210-V214 WeakPolarHBondContact O-CB 3.31Å; V210-V214 VanDerWaalsContact O-CG2 3.28Å; V210-V214 WeakPolarHBondContact O-CG2 3.49Å; V210-V214 PolarHBondContact O-N 3.5Å |
| 211 | H | 72.7 | Confident | 68.7 | Low | 127 Ų | 127 | 74.8 Ų | 74.8 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.7 | -34.3 | 176.8 | 179 | -78 | 0 | 0 | 0 | 112.2 | L207 V209 R215 | L207-H211 WeakPolarHBondContact O-CB 3.49Å; L207-H211 PolarHBondContact O-N 2.92Å; V209-H211 PolarHBondContact O-N 2.97Å; H211-R215 VanDerWaalsContact O-CB 3.23Å; H211-R215 WeakPolarHBondContact O-CB 3.45Å; H211-R215 PolarHBondContact O-N 2.92Å |
| 212 | T | 69.1 | Low | 69.3 | Low | 59 Ų | 59 | 75.4 Ų | 75.4 | 36% | 0.362 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.6 | -48.8 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | S208 V209 V210 V214 R215 F216 | S208-T212 WeakPolarHBondContact O-CB 3.43Å; S208-T212 PolarHBondContact O-N 3.11Å; S208-T212 VanDerWaalsContact O-N 3.13Å; S208-T212 PolarHBondContact O-OG1 2.65Å; V209-T212 CarbonylContact O-C 3.54Å; V209-T212 WeakPolarHBondContact O-CA 3.17Å; V209-T212 WeakPolarHBondContact O-CB 3.23Å; V209-T212 PolarHBondContact O-N 2.9Å; V210-T212 PolarHBondContact O-N 3.33Å; T212-V214 PolarHBondContact O-N 2.94Å; T212-R215 PolarHBondContact O-N 3.34Å; T212-F216 HydrophobicContact CG2-CD2 3.73Å; T212-F216 HydrophobicContact CG2-CE2 3.53Å; T212-F216 WeakPolarHBondContact O-CD2 3.49Å; T212-F216 PolarHBondContact O-N 3.46Å |
| 213 | V | 67.3 | Low | 69.5 | Low | 41 Ų | 41 | 77.3 Ų | 77.3 | 25% | 0.248 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | L178 V209 V210 F216 R217 | L178-V213 HydrophobicContact CD2-CG2 3.93Å; V209-V213 HydrophobicContact CG1-CG2 4.21Å; V209-V213 WeakPolarHBondContact O-CG2 3.34Å; V209-V213 PolarHBondContact O-N 2.86Å; V210-V213 PolarHBondContact O-N 2.99Å; V213-F216 PolarHBondContact O-N 3.22Å; V213-R217 HydrophobicContact CG1-CG 4.49Å; V213-R217 WeakPolarHBondContact O-CG 3.47Å; V213-R217 PolarHBondContact O-N 3.07Å |
| 214 | V | 70.3 | Confident | 69.7 | Low | 73 Ų | 73 | 77.6 Ų | 77.6 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | V210 T212 F216 R217 I218 | V210-V214 HydrophobicContact CG1-CG2 4.11Å; V210-V214 WeakPolarHBondContact O-CB 3.31Å; V210-V214 VanDerWaalsContact O-CG2 3.28Å; V210-V214 WeakPolarHBondContact O-CG2 3.49Å; V210-V214 PolarHBondContact O-N 3.5Å; T212-V214 PolarHBondContact O-N 2.94Å; V214-F216 VanDerWaalsContact C-N 3.34Å; V214-F216 PolarHBondContact O-N 3.19Å; V214-R217 PolarHBondContact O-N 2.78Å; V214-I218 HydrophobicContact CG1-CD1 3.66Å; V214-I218 HydrophobicContact CG1-CG1 4.36Å; V214-I218 WeakPolarHBondContact O-CB 3.24Å; V214-I218 VanDerWaalsContact O-CG1 3.24Å; V214-I218 WeakPolarHBondContact O-CG1 3.39Å; V214-I218 PolarHBondContact O-N 3.15Å |
| 215 | R | 66.4 | Low | 69.8 | Low | 142 Ų | 142 | 76 Ų | 76 | 54% | 0.536 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.4 | -32.7 | 176.3 | -171.2 | 176.6 | -175.5 | -166.8 | 0.4 | 112.9 | H211 T212 K219 | H211-R215 VanDerWaalsContact O-CB 3.23Å; H211-R215 WeakPolarHBondContact O-CB 3.45Å; H211-R215 PolarHBondContact O-N 2.92Å; T212-R215 PolarHBondContact O-N 3.34Å; R215-K219 WeakPolarHBondContact O-CG 3.34Å; R215-K219 PolarHBondContact O-N 2.9Å |
| 216 | F | 62.7 | Low | 70.1 | Confident | 110 Ų | 110 | 79.1 Ų | 79.1 | 48% | 0.482 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71 | -51 | 172.2 | -81.1 | -66 | 0 | 0 | 0 | 111.6 | T212 V213 V214 I218 K219 E220 | T212-F216 HydrophobicContact CG2-CD2 3.73Å; T212-F216 HydrophobicContact CG2-CE2 3.53Å; T212-F216 WeakPolarHBondContact O-CD2 3.49Å; T212-F216 PolarHBondContact O-N 3.46Å; V213-F216 PolarHBondContact O-N 3.22Å; V214-F216 VanDerWaalsContact C-N 3.34Å; V214-F216 PolarHBondContact O-N 3.19Å; F216-I218 VanDerWaalsContact C-N 3.29Å; F216-I218 PolarHBondContact O-N 2.95Å; F216-K219 WeakPolarHBondContact O-CA 3.23Å; F216-K219 WeakPolarHBondContact O-CB 3.35Å; F216-K219 PolarHBondContact O-N 3.29Å; F216-E220 WeakPolarHBondContact O-CG 3.41Å; F216-E220 PolarHBondContact O-N 2.84Å |
| 217 | R | 71 | Confident | 70.4 | Confident | 172 Ų | 172 | 81.8 Ų | 81.8 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -58.7 | -36.9 | 177.8 | -74.1 | -175.1 | 175.6 | -171.5 | -1.8 | 113.6 | V213 V214 E220 Y221 | V213-R217 HydrophobicContact CG1-CG 4.49Å; V213-R217 WeakPolarHBondContact O-CG 3.47Å; V213-R217 PolarHBondContact O-N 3.07Å; V214-R217 PolarHBondContact O-N 2.78Å; R217-E220 VanDerWaalsContact CA-OE2 3.32Å; R217-E220 WeakPolarHBondContact CA-OE2 3.15Å; R217-E220 PolarHBondContact O-N 3.22Å; R217-Y221 VanDerWaalsContact O-CB 3.23Å; R217-Y221 WeakPolarHBondContact O-CB 3.43Å; R217-Y221 PolarHBondContact O-N 3.32Å |
| 218 | I | 66.4 | Low | 70.5 | Confident | 95 Ų | 95 | 82.3 Ų | 82.3 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 173.3 | -70.8 | 168.3 | 0 | 0 | 0 | 111.2 | V214 F216 L222 | V214-I218 HydrophobicContact CG1-CD1 3.66Å; V214-I218 HydrophobicContact CG1-CG1 4.36Å; V214-I218 WeakPolarHBondContact O-CB 3.24Å; V214-I218 VanDerWaalsContact O-CG1 3.24Å; V214-I218 WeakPolarHBondContact O-CG1 3.39Å; V214-I218 PolarHBondContact O-N 3.15Å; F216-I218 VanDerWaalsContact C-N 3.29Å; F216-I218 PolarHBondContact O-N 2.95Å; I218-L222 HydrophobicContact CG2-CD1 3.9Å; I218-L222 HydrophobicContact CG2-CG 4.45Å; I218-L222 VanDerWaalsContact O-CB 3.32Å; I218-L222 WeakPolarHBondContact O-CB 3.33Å; I218-L222 WeakPolarHBondContact O-CD1 3.45Å; I218-L222 WeakPolarHBondContact O-CG 3.48Å; I218-L222 PolarHBondContact O-N 3.3Å |
| 219 | K | 65.5 | Low | 70.8 | Confident | 54 Ų | 54 | 84.7 Ų | 84.7 | 24% | 0.235 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 174.1 | -78 | -179.8 | 162.9 | -167.8 | 0 | 111.9 | R215 F216 L222 I223 D273 L274 | R215-K219 WeakPolarHBondContact O-CG 3.34Å; R215-K219 PolarHBondContact O-N 2.9Å; F216-K219 WeakPolarHBondContact O-CA 3.23Å; F216-K219 WeakPolarHBondContact O-CB 3.35Å; F216-K219 PolarHBondContact O-N 3.29Å; K219-L222 PolarHBondContact O-N 3.46Å; K219-I223 VanDerWaalsContact O-CG1 3.31Å; K219-I223 WeakPolarHBondContact O-CG1 3.32Å; K219-I223 PolarHBondContact O-N 2.83Å; K219-D273 IonicContact NZ-OD2 2.76Å; K219-D273 PolarHBondContact NZ-OD2 3.07Å; K219-L274 HydrophobicContact CB-CD2 4.16Å; K219-L274 HydrophobicContact CG-CD2 4.19Å |
| 220 | E | 68 | Low | 71.4 | Confident | 105 Ų | 105 | 85.9 Ų | 85.9 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.1 | -52 | 177.7 | -69.2 | 160.9 | 162.7 | 0 | 0 | 110.2 | F216 R217 L222 I223 E224 | F216-E220 WeakPolarHBondContact O-CG 3.41Å; F216-E220 PolarHBondContact O-N 2.84Å; R217-E220 VanDerWaalsContact CA-OE2 3.32Å; R217-E220 WeakPolarHBondContact CA-OE2 3.15Å; R217-E220 PolarHBondContact O-N 3.22Å; E220-L222 VanDerWaalsContact C-N 3.34Å; E220-L222 PolarHBondContact O-N 3.49Å; E220-I223 WeakPolarHBondContact O-CB 3.48Å; E220-I223 PolarHBondContact O-N 3.35Å; E220-E224 WeakPolarHBondContact O-CG 3.22Å; E220-E224 PolarHBondContact O-N 3.48Å |
| 221 | Y | 65.4 | Low | 72 | Confident | 147 Ų | 147 | 90.7 Ų | 90.7 | 58% | 0.576 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.2 | -38.7 | 175.6 | -177.4 | -100.6 | 0 | 0 | 0 | 113.3 | R217 I223 E224 L225 | R217-Y221 VanDerWaalsContact O-CB 3.23Å; R217-Y221 WeakPolarHBondContact O-CB 3.43Å; R217-Y221 PolarHBondContact O-N 3.32Å; Y221-I223 VanDerWaalsContact C-N 3.34Å; Y221-E224 PolarHBondContact O-N 3.48Å; Y221-L225 HydrophobicContact CE1-CD2 4.34Å; Y221-L225 WeakPolarHBondContact O-CB 3.28Å; Y221-L225 PolarHBondContact O-N 3.09Å |
| 222 | L | 70.3 | Confident | 72.5 | Confident | 78 Ų | 78 | 87.3 Ų | 87.3 | 41% | 0.408 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.7 | -30.1 | 174.9 | -74.8 | 170.3 | 0 | 0 | 0 | 112.9 | I218 K219 E220 R226 L274 | I218-L222 HydrophobicContact CG2-CD1 3.9Å; I218-L222 HydrophobicContact CG2-CG 4.45Å; I218-L222 VanDerWaalsContact O-CB 3.32Å; I218-L222 WeakPolarHBondContact O-CB 3.33Å; I218-L222 WeakPolarHBondContact O-CD1 3.45Å; I218-L222 WeakPolarHBondContact O-CG 3.48Å; I218-L222 PolarHBondContact O-N 3.3Å; K219-L222 PolarHBondContact O-N 3.46Å; E220-L222 VanDerWaalsContact C-N 3.34Å; E220-L222 PolarHBondContact O-N 3.49Å; L222-R226 WeakPolarHBondContact O-CB 3.46Å; L222-R226 PolarHBondContact O-N 2.71Å; L222-R226 VanDerWaalsContact O-N 3.08Å; L222-L274 HydrophobicContact CB-CD2 4.43Å; L222-L274 HydrophobicContact CD1-CD1 4.42Å |
| 223 | I | 70.8 | Confident | 73.3 | Confident | 73 Ų | 73 | 85.4 Ų | 85.4 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.6 | -46.4 | 172.5 | -67.7 | 163 | 0 | 0 | 0 | 110 | K219 E220 Y221 R226 E227 L274 | K219-I223 VanDerWaalsContact O-CG1 3.31Å; K219-I223 WeakPolarHBondContact O-CG1 3.32Å; K219-I223 PolarHBondContact O-N 2.83Å; E220-I223 WeakPolarHBondContact O-CB 3.48Å; E220-I223 PolarHBondContact O-N 3.35Å; Y221-I223 VanDerWaalsContact C-N 3.34Å; I223-R226 WeakPolarHBondContact O-CB 3.29Å; I223-R226 PolarHBondContact O-N 3.28Å; I223-E227 WeakPolarHBondContact O-CG 3.5Å; I223-E227 PolarHBondContact O-N 2.98Å; I223-L274 HydrophobicContact CD1-CD2 4.09Å; I223-L274 HydrophobicContact CG1-CD2 3.77Å |
| 224 | E | 72.1 | Confident | 74.3 | Confident | 76 Ų | 76 | 85.5 Ų | 85.5 | 36% | 0.355 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 177.2 | -71.6 | 178.1 | 165.9 | 0 | 0 | 111.7 | E220 Y221 R226 E227 H228 | E220-E224 WeakPolarHBondContact O-CG 3.22Å; E220-E224 PolarHBondContact O-N 3.48Å; Y221-E224 PolarHBondContact O-N 3.48Å; E224-R226 PolarHBondContact O-N 3.03Å; E224-E227 PolarHBondContact O-N 2.62Å; E224-H228 WeakPolarHBondContact O-CB 3.33Å; E224-H228 PolarHBondContact O-N 2.92Å |
| 225 | L | 74.5 | Confident | 75 | Confident | 66 Ų | 66 | 86.3 Ų | 86.3 | 35% | 0.346 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175 | 179.4 | 61.7 | 0 | 0 | 0 | 111.8 | Y221 H228 I229 | Y221-L225 HydrophobicContact CE1-CD2 4.34Å; Y221-L225 WeakPolarHBondContact O-CB 3.28Å; Y221-L225 PolarHBondContact O-N 3.09Å; L225-H228 PolarHBondContact O-N 2.88Å; L225-I229 HydrophobicContact CD1-CD1 4.15Å; L225-I229 HydrophobicContact CD1-CG1 4.41Å; L225-I229 HydrophobicContact CG-CD1 4.04Å; L225-I229 VanDerWaalsContact O-CG1 3.29Å; L225-I229 WeakPolarHBondContact O-CG1 3.35Å; L225-I229 PolarHBondContact O-N 3.03Å |
| 226 | R | 77.1 | Confident | 75.9 | Confident | 65 Ų | 65 | 83 Ų | 83 | 25% | 0.245 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 175.7 | -176.5 | -171.5 | -169.3 | -143.1 | -1 | 111.4 | L222 I223 E224 H228 I229 R230 L275 E279 | L222-R226 WeakPolarHBondContact O-CB 3.46Å; L222-R226 PolarHBondContact O-N 2.71Å; L222-R226 VanDerWaalsContact O-N 3.08Å; I223-R226 WeakPolarHBondContact O-CB 3.29Å; I223-R226 PolarHBondContact O-N 3.28Å; E224-R226 PolarHBondContact O-N 3.03Å; R226-H228 VanDerWaalsContact C-N 3.33Å; R226-I229 PolarHBondContact O-N 3.15Å; R226-R230 VanDerWaalsContact NH2-NH2 3.16Å; R226-R230 WeakPolarHBondContact O-CB 3.46Å; R226-R230 WeakPolarHBondContact O-CG 3.41Å; R226-R230 PolarHBondContact O-N 2.86Å; R226-L275 VanDerWaalsContact NH2-CD2 3.25Å; R226-E279 IonicContact CZ-OE2 2.62Å; R226-E279 VanDerWaalsContact CZ-OE2 3.22Å; R226-E279 IonicContact NH1-OE1 2.94Å; R226-E279 IonicContact NH1-OE2 2.85Å; R226-E279 PolarHBondContact NH1-OE2 2.96Å; R226-E279 IonicContact NH2-OE1 3.14Å; R226-E279 IonicContact NH2-OE2 2.65Å; R226-E279 PolarHBondContact NH2-OE2 3.2Å |
| 227 | E | 78 | Confident | 77.1 | Confident | 58 Ų | 58 | 77.8 Ų | 77.8 | 27% | 0.271 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73.9 | -24.4 | 179.9 | -65.5 | -54.5 | 135 | 0 | 0 | 112.2 | I223 E224 R230 R231 | I223-E227 WeakPolarHBondContact O-CG 3.5Å; I223-E227 PolarHBondContact O-N 2.98Å; E224-E227 PolarHBondContact O-N 2.62Å; E227-R230 WeakPolarHBondContact OE1-CD 3.4Å; E227-R230 IonicContact OE1-CZ 2.73Å; E227-R230 IonicContact OE1-NE 2.77Å; E227-R230 IonicContact OE1-NH1 2.72Å; E227-R230 PolarHBondContact OE1-NH1 3.44Å; E227-R230 WeakPolarHBondContact OE2-CD 3.37Å; E227-R231 VanDerWaalsContact O-CG 3.3Å; E227-R231 WeakPolarHBondContact O-CG 3.41Å; E227-R231 PolarHBondContact O-N 3.33Å; E227-R231 VanDerWaalsContact O-N 3.11Å; E227-R231 PolarHBondContact O-NH1 3.35Å |
| 228 | H | 76.9 | Confident | 77.9 | Confident | 102 Ų | 102 | 78 Ų | 78 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.6 | -54.5 | 167.8 | 176.2 | 79.3 | 0 | 0 | 0 | 110.9 | E224 L225 R226 R230 R231 S232 | E224-H228 WeakPolarHBondContact O-CB 3.33Å; E224-H228 PolarHBondContact O-N 2.92Å; L225-H228 PolarHBondContact O-N 2.88Å; R226-H228 VanDerWaalsContact C-N 3.33Å; H228-R230 PolarHBondContact O-N 2.88Å; H228-R231 PolarHBondContact O-N 3.03Å; H228-S232 PolarHBondContact O-N 2.98Å; H228-S232 PolarHBondContact O-OG 3.34Å |
| 229 | I | 78.9 | Confident | 78.7 | Confident | 84 Ų | 84 | 79.5 Ų | 79.5 | 43% | 0.431 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -52.9 | -43.1 | 175.5 | -68.8 | 163.8 | 0 | 0 | 0 | 110.4 | L225 R226 S232 L233 | L225-I229 HydrophobicContact CD1-CD1 4.15Å; L225-I229 HydrophobicContact CD1-CG1 4.41Å; L225-I229 HydrophobicContact CG-CD1 4.04Å; L225-I229 VanDerWaalsContact O-CG1 3.29Å; L225-I229 WeakPolarHBondContact O-CG1 3.35Å; L225-I229 PolarHBondContact O-N 3.03Å; R226-I229 PolarHBondContact O-N 3.15Å; I229-S232 PolarHBondContact O-N 2.87Å; I229-L233 HydrophobicContact CG2-CD1 3.92Å; I229-L233 HydrophobicContact CG2-CG 4.34Å; I229-L233 WeakPolarHBondContact O-CB 3.31Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.4Å; I229-L233 PolarHBondContact O-N 3.43Å |
| 230 | R | 84 | Confident | 79.5 | Confident | 30 Ų | 30 | 82.2 Ų | 82.2 | 11% | 0.113 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.3 | -86.1 | 175.4 | 156.2 | -167.5 | -14.7 | 114.3 | R226 E227 H228 D234 R249 E279 | R226-R230 VanDerWaalsContact NH2-NH2 3.16Å; R226-R230 WeakPolarHBondContact O-CB 3.46Å; R226-R230 WeakPolarHBondContact O-CG 3.41Å; R226-R230 PolarHBondContact O-N 2.86Å; E227-R230 WeakPolarHBondContact OE1-CD 3.4Å; E227-R230 IonicContact OE1-CZ 2.73Å; E227-R230 IonicContact OE1-NE 2.77Å; E227-R230 IonicContact OE1-NH1 2.72Å; E227-R230 PolarHBondContact OE1-NH1 3.44Å; E227-R230 WeakPolarHBondContact OE2-CD 3.37Å; H228-R230 PolarHBondContact O-N 2.88Å; R230-D234 PolarHBondContact O-N 3.3Å; R230-R249 PolarHBondContact O-NH1 3.45Å; R230-E279 IonicContact CZ-OE1 3.92Å; R230-E279 VanDerWaalsContact CZ-OE1 3.27Å; R230-E279 IonicContact NH1-OE1 3.32Å; R230-E279 PolarHBondContact NH1-OE1 3.47Å; R230-E279 IonicContact NH2-OE1 3.86Å; R230-E279 PolarHBondContact NH2-OE1 2.91Å; R230-E279 IonicContact NH2-OE2 3.05Å |
| 231 | R | 83.9 | Confident | 80.2 | Confident | 148 Ų | 148 | 79.1 Ų | 79.1 | 56% | 0.558 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.9 | -45.3 | 174.4 | -70.9 | 174.9 | -164.2 | 102.2 | -13.6 | 110.8 | E227 H228 L233 D234 T235 | E227-R231 VanDerWaalsContact O-CG 3.3Å; E227-R231 WeakPolarHBondContact O-CG 3.41Å; E227-R231 PolarHBondContact O-N 3.33Å; E227-R231 VanDerWaalsContact O-N 3.11Å; E227-R231 PolarHBondContact O-NH1 3.35Å; H228-R231 PolarHBondContact O-N 3.03Å; R231-L233 VanDerWaalsContact C-N 3.29Å; R231-L233 PolarHBondContact O-N 2.87Å; R231-D234 PolarHBondContact O-N 3.46Å; R231-D234 VanDerWaalsContact O-N 3.11Å; R231-T235 PolarHBondContact O-N 3.27Å; R231-T235 PolarHBondContact O-OG1 3.27Å |
| 232 | S | 84.4 | Confident | 81 | Confident | 56 Ų | 56 | 80.8 Ų | 80.8 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | H228 I229 L236 | H228-S232 PolarHBondContact O-N 2.98Å; H228-S232 PolarHBondContact O-OG 3.34Å; I229-S232 PolarHBondContact O-N 2.87Å; S232-L236 VanDerWaalsContact O-CB 3.27Å; S232-L236 WeakPolarHBondContact O-CB 3.4Å; S232-L236 PolarHBondContact O-N 2.98Å |
| 233 | L | 86.1 | Confident | 81.6 | Confident | 19 Ų | 19 | 84.8 Ų | 84.8 | 10% | 0.099 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.1 | -42 | 171.7 | -70.8 | 172.8 | 0 | 0 | 0 | 112.9 | I229 R231 L236 F237 R249 A253 L257 | I229-L233 HydrophobicContact CG2-CD1 3.92Å; I229-L233 HydrophobicContact CG2-CG 4.34Å; I229-L233 WeakPolarHBondContact O-CB 3.31Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.4Å; I229-L233 PolarHBondContact O-N 3.43Å; R231-L233 VanDerWaalsContact C-N 3.29Å; R231-L233 PolarHBondContact O-N 2.87Å; L233-L236 PolarHBondContact O-N 2.84Å; L233-F237 HydrophobicContact CB-CD2 4.37Å; L233-F237 HydrophobicContact CB-CE2 4.01Å; L233-F237 HydrophobicContact CD2-CE2 3.98Å; L233-F237 HydrophobicContact CD2-CZ 3.86Å; L233-F237 HydrophobicContact CG-CE2 4.49Å; L233-F237 WeakPolarHBondContact O-CB 3.41Å; L233-F237 WeakPolarHBondContact O-CD2 3.36Å; L233-F237 WeakPolarHBondContact O-CG 3.31Å; L233-F237 PolarHBondContact O-N 3.48Å; L233-R249 HydrophobicContact CB-CG 4.02Å; L233-R249 HydrophobicContact CD1-CG 4.26Å; L233-A253 HydrophobicContact CD1-CB 4.12Å; L233-A253 HydrophobicContact CD2-CB 4.31Å; L233-L257 HydrophobicContact CD2-CD1 3.49Å; L233-L257 VanDerWaalsContact CD2-CD1 3.49Å |
| 234 | D | 87.8 | Confident | 82.3 | Confident | 43 Ų | 43 | 82.8 Ų | 82.8 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 174.1 | -79.8 | -16.9 | 0 | 0 | 0 | 111 | R230 R231 L236 F237 Y238 Y244 R249 | R230-D234 PolarHBondContact O-N 3.3Å; R231-D234 PolarHBondContact O-N 3.46Å; R231-D234 VanDerWaalsContact O-N 3.11Å; D234-L236 PolarHBondContact O-N 2.8Å; D234-F237 PolarHBondContact O-N 2.95Å; D234-Y238 WeakPolarHBondContact O-CB 3.2Å; D234-Y238 PolarHBondContact O-N 2.61Å; D234-Y244 HydrophobicContact CB-CE1 4.17Å; D234-Y244 WeakPolarHBondContact OD1-CE1 3.23Å; D234-Y244 PolarHBondContact OD1-OH 3.21Å; D234-R249 WeakPolarHBondContact OD1-CD 3.42Å; D234-R249 IonicContact OD1-CZ 3.82Å; D234-R249 IonicContact OD1-NE 3.27Å; D234-R249 IonicContact OD1-NH1 2.75Å; D234-R249 PolarHBondContact OD1-NH1 3.08Å; D234-R249 IonicContact OD1-NH2 2.79Å; D234-R249 PolarHBondContact OD1-NH2 3.28Å; D234-R249 IonicContact OD2-CZ 3.7Å; D234-R249 IonicContact OD2-NH1 2.92Å; D234-R249 PolarHBondContact OD2-NH1 3.26Å; D234-R249 IonicContact OD2-NH2 3.22Å; D234-R249 PolarHBondContact OD2-NH2 3.45Å |
| 235 | T | 85.3 | Confident | 83 | Confident | 89 Ų | 89 | 82.1 Ų | 82.1 | 55% | 0.546 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | R231 N239 | R231-T235 PolarHBondContact O-N 3.27Å; R231-T235 PolarHBondContact O-OG1 3.27Å; T235-N239 PolarHBondContact O-N 3.14Å; T235-N239 PolarHBondContact O-ND2 3.09Å |
| 236 | L | 85.4 | Confident | 83.5 | Confident | 73 Ų | 73 | 81.8 Ų | 81.8 | 38% | 0.382 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -50.4 | 176.6 | -177.9 | 64.2 | 0 | 0 | 0 | 111.3 | S232 L233 D234 N239 L240 | S232-L236 VanDerWaalsContact O-CB 3.27Å; S232-L236 WeakPolarHBondContact O-CB 3.4Å; S232-L236 PolarHBondContact O-N 2.98Å; L233-L236 PolarHBondContact O-N 2.84Å; D234-L236 PolarHBondContact O-N 2.8Å; L236-N239 PolarHBondContact O-N 3.25Å; L236-L240 HydrophobicContact CD1-CD1 3.83Å; L236-L240 HydrophobicContact CD1-CG 4.49Å; L236-L240 HydrophobicContact CG-CD1 3.86Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 3.34Å |
| 237 | F | 88.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -74.7 | -31.3 | -175.6 | -59 | -37.2 | 0 | 0 | 0 | 113.5 | L233 D234 N239 L240 V241 Y244 R249 L252 A253 I256 | L233-F237 HydrophobicContact CB-CD2 4.37Å; L233-F237 HydrophobicContact CB-CE2 4.01Å; L233-F237 HydrophobicContact CD2-CE2 3.98Å; L233-F237 HydrophobicContact CD2-CZ 3.86Å; L233-F237 HydrophobicContact CG-CE2 4.49Å; L233-F237 WeakPolarHBondContact O-CB 3.41Å; L233-F237 WeakPolarHBondContact O-CD2 3.36Å; L233-F237 WeakPolarHBondContact O-CG 3.31Å; L233-F237 PolarHBondContact O-N 3.48Å; D234-F237 PolarHBondContact O-N 2.95Å; F237-N239 PolarHBondContact O-N 3.17Å; F237-L240 PolarHBondContact O-N 3.41Å; F237-L240 VanDerWaalsContact O-N 3.08Å; F237-V241 PolarHBondContact O-N 3.35Å; F237-Y244 HydrophobicContact CB-CD1 4.29Å; F237-Y244 HydrophobicContact CB-CD2 3.52Å; F237-Y244 HydrophobicContact CB-CE1 4.19Å; F237-Y244 HydrophobicContact CB-CE2 3.41Å; F237-Y244 VanDerWaalsContact CB-CE2 3.41Å; F237-Y244 HydrophobicContact CB-CG 3.97Å; F237-Y244 AromaticContact CD2-CE2 3.78Å; F237-Y244 HydrophobicContact CD2-CE2 3.78Å; F237-Y244 AromaticContact CD2-CZ 3.99Å; F237-Y244 HydrophobicContact CG-CD2 4.48Å; F237-Y244 HydrophobicContact CG-CE2 4.02Å; F237-R249 HydrophobicContact CD2-CG 4.46Å; F237-R249 HydrophobicContact CE2-CG 4.26Å; F237-L252 HydrophobicContact CB-CD1 4.44Å; F237-L252 HydrophobicContact CD1-CB 4.41Å; F237-L252 HydrophobicContact CD2-CB 4.07Å; F237-L252 HydrophobicContact CD2-CD1 4.43Å; F237-L252 HydrophobicContact CE1-CB 4.23Å; F237-L252 HydrophobicContact CE2-CB 3.85Å; F237-L252 HydrophobicContact CG-CB 4.35Å; F237-L252 HydrophobicContact CG-CD1 4.31Å; F237-L252 HydrophobicContact CZ-CB 3.96Å; F237-A253 HydrophobicContact CE2-CB 4.15Å; F237-A253 HydrophobicContact CZ-CB 4.05Å; F237-I256 HydrophobicContact CD1-CD1 4.04Å; F237-I256 HydrophobicContact CE1-CB 4.49Å; F237-I256 HydrophobicContact CE1-CD1 3.73Å |
| 238 | Y | 86.7 | Confident | 83.9 | Confident | 178 Ų | 178 | 84.1 Ų | 84.1 | 70% | 0.698 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.6 | -26.8 | 171.9 | -167.2 | -86.6 | 0 | 0 | 0 | 112.7 | D234 Y244 | D234-Y238 WeakPolarHBondContact O-CB 3.2Å; D234-Y238 PolarHBondContact O-N 2.61Å; Y238-Y244 HydrophobicContact CD2-CD1 4.45Å |
| 239 | N | 83.6 | Confident | 84.3 | Confident | 126 Ų | 126 | 80.7 Ų | 80.7 | 67% | 0.674 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -9.1 | 174.3 | -73.2 | -65.5 | 0 | 0 | 0 | 114.1 | T235 L236 F237 | T235-N239 PolarHBondContact O-N 3.14Å; T235-N239 PolarHBondContact O-ND2 3.09Å; L236-N239 PolarHBondContact O-N 3.25Å; F237-N239 PolarHBondContact O-N 3.17Å |
| 240 | L | 82.1 | Confident | 84.2 | Confident | 111 Ų | 111 | 81 Ų | 81 | 58% | 0.581 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | -22.6 | -176.5 | -71.4 | 176.8 | 0 | 0 | 0 | 114.3 | L236 F237 | L236-L240 HydrophobicContact CD1-CD1 3.83Å; L236-L240 HydrophobicContact CD1-CG 4.49Å; L236-L240 HydrophobicContact CG-CD1 3.86Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 3.34Å; F237-L240 PolarHBondContact O-N 3.41Å; F237-L240 VanDerWaalsContact O-N 3.08Å |
| 241 | V | 81.8 | Confident | 83.8 | Confident | 39 Ų | 39 | 84 Ų | 84 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -131.9 | 112 | -170.2 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | F237 N243 Y244 L252 | F237-V241 PolarHBondContact O-N 3.35Å; V241-N243 PolarHBondContact O-N 3.42Å; V241-Y244 WeakPolarHBondContact O-CB 3.33Å; V241-Y244 PolarHBondContact O-N 2.65Å; V241-L252 HydrophobicContact CG2-CD1 4.31Å |
| 242 | E | 82.5 | Confident | 83.7 | Confident | 182 Ų | 182 | 77.4 Ų | 77.4 | 85% | 0.85 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 133.7 | 170.2 | -65 | -175.8 | 177.8 | 0 | 0 | 110.4 | Y244 | E242-Y244 VanDerWaalsContact C-N 3.35Š|
| 243 | N | 83.1 | Confident | 83.5 | Confident | 162 Ų | 162 | 75 Ų | 75 | 87% | 0.866 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 30.7 | -176.9 | -47.3 | -80.3 | 0 | 0 | 0 | 114.9 | V241 D245 | V241-N243 PolarHBondContact O-N 3.42Å; N243-D245 PolarHBondContact O-N 3.02Å |
| 244 | Y | 86.4 | Confident | 83.1 | Confident | 32 Ų | 32 | 76.3 Ų | 76.3 | 13% | 0.125 | 40% | 0.397 | C | S | . | . | trans | -53.9 | 126.1 | 173.4 | 174.4 | -111.5 | 0 | 0 | 0 | 113.7 | D234 F237 Y238 V241 E242 R249 L252 | D234-Y244 HydrophobicContact CB-CE1 4.17Å; D234-Y244 WeakPolarHBondContact OD1-CE1 3.23Å; D234-Y244 PolarHBondContact OD1-OH 3.21Å; F237-Y244 HydrophobicContact CB-CD1 4.29Å; F237-Y244 HydrophobicContact CB-CD2 3.52Å; F237-Y244 HydrophobicContact CB-CE1 4.19Å; F237-Y244 HydrophobicContact CB-CE2 3.41Å; F237-Y244 VanDerWaalsContact CB-CE2 3.41Å; F237-Y244 HydrophobicContact CB-CG 3.97Å; F237-Y244 AromaticContact CD2-CE2 3.78Å; F237-Y244 HydrophobicContact CD2-CE2 3.78Å; F237-Y244 AromaticContact CD2-CZ 3.99Å; F237-Y244 HydrophobicContact CG-CD2 4.48Å; F237-Y244 HydrophobicContact CG-CE2 4.02Å; Y238-Y244 HydrophobicContact CD2-CD1 4.45Å; V241-Y244 WeakPolarHBondContact O-CB 3.33Å; V241-Y244 PolarHBondContact O-N 2.65Å; E242-Y244 VanDerWaalsContact C-N 3.35Å; Y244-R249 VanDerWaalsContact OH-CB 3.22Å; Y244-R249 WeakPolarHBondContact OH-CB 3.24Å; Y244-L252 HydrophobicContact CD2-CD1 3.77Å; Y244-L252 HydrophobicContact CE2-CD1 3.84Å | ||
| 245 | D | 86.5 | Confident | 82.4 | Confident | 61 Ų | 61 | 77.4 Ų | 77.4 | 33% | 0.326 | 40% | 0.401 | S | S | . | . | trans | -109.2 | 128.4 | 167.7 | 176.8 | 5.8 | 0 | 0 | 0 | 110.4 | N243 K247 S248 | N243-D245 PolarHBondContact O-N 3.02Å; D245-K247 PolarHBondContact O-N 3.48Å; D245-K247 WeakPolarHBondContact OD1-CG 3.3Å; D245-K247 PolarHBondContact OD1-N 3.05Å; D245-K247 IonicContact OD1-NZ 2.59Å; D245-K247 PolarHBondContact OD1-NZ 3.26Å; D245-K247 VanDerWaalsContact OD1-NZ 3.14Å; D245-K247 WeakPolarHBondContact OD2-CD 3.49Å; D245-K247 WeakPolarHBondContact OD2-CG 3.36Å; D245-K247 IonicContact OD2-NZ 3.83Å; D245-K247 PolarHBondContact OD2-NZ 2.92Å; D245-S248 WeakPolarHBondContact O-CB 3.29Å; D245-S248 PolarHBondContact O-N 3.13Å; D245-S248 PolarHBondContact O-OG 2.86Å | ||
| 246 | S | 84.2 | Confident | 81.9 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 42% | 0.42 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.4 | -25.7 | 167.4 | 66.4 | 0 | 0 | 0 | 0 | 116.7 | R249 | S246-R249 WeakPolarHBondContact O-CB 3.29Å; S246-R249 PolarHBondContact O-NH2 2.93Å |
| 247 | K | 84.4 | Confident | 81.2 | Confident | 133 Ų | 133 | 76.8 Ų | 76.8 | 58% | 0.578 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -26.3 | 175.4 | -60.9 | 179.9 | -150.2 | 69.9 | 0 | 113.5 | D245 | D245-K247 PolarHBondContact O-N 3.48Å; D245-K247 WeakPolarHBondContact OD1-CG 3.3Å; D245-K247 PolarHBondContact OD1-N 3.05Å; D245-K247 IonicContact OD1-NZ 2.59Å; D245-K247 PolarHBondContact OD1-NZ 3.26Å; D245-K247 VanDerWaalsContact OD1-NZ 3.14Å; D245-K247 WeakPolarHBondContact OD2-CD 3.49Å; D245-K247 WeakPolarHBondContact OD2-CG 3.36Å; D245-K247 IonicContact OD2-NZ 3.83Å; D245-K247 PolarHBondContact OD2-NZ 2.92Å |
| 248 | S | 80.7 | Confident | 80 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -15.5 | 179 | 70 | 0 | 0 | 0 | 0 | 113.3 | D245 D250 T251 L252 | D245-S248 WeakPolarHBondContact O-CB 3.29Å; D245-S248 PolarHBondContact O-N 3.13Å; D245-S248 PolarHBondContact O-OG 2.86Å; S248-D250 PolarHBondContact O-N 2.82Å; S248-T251 CarbonylContact O-C 3.59Å; S248-T251 WeakPolarHBondContact O-CA 3.34Å; S248-T251 VanDerWaalsContact O-CB 3.29Å; S248-T251 WeakPolarHBondContact O-CB 3.46Å; S248-T251 PolarHBondContact O-N 2.92Å; S248-L252 PolarHBondContact O-N 2.94Å; S248-L252 WeakPolarHBondContact OG-CD1 3.47Å |
| 249 | R | 84.1 | Confident | 78.8 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 11% | 0.113 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -39.3 | -56.1 | -178.7 | -177.7 | 165.9 | 32.4 | -145.5 | -34.7 | 114.7 | R230 L233 D234 F237 Y244 S246 T251 L252 A253 | R230-R249 PolarHBondContact O-NH1 3.45Å; L233-R249 HydrophobicContact CB-CG 4.02Å; L233-R249 HydrophobicContact CD1-CG 4.26Å; D234-R249 WeakPolarHBondContact OD1-CD 3.42Å; D234-R249 IonicContact OD1-CZ 3.82Å; D234-R249 IonicContact OD1-NE 3.27Å; D234-R249 IonicContact OD1-NH1 2.75Å; D234-R249 PolarHBondContact OD1-NH1 3.08Å; D234-R249 IonicContact OD1-NH2 2.79Å; D234-R249 PolarHBondContact OD1-NH2 3.28Å; D234-R249 IonicContact OD2-CZ 3.7Å; D234-R249 IonicContact OD2-NH1 2.92Å; D234-R249 PolarHBondContact OD2-NH1 3.26Å; D234-R249 IonicContact OD2-NH2 3.22Å; D234-R249 PolarHBondContact OD2-NH2 3.45Å; F237-R249 HydrophobicContact CD2-CG 4.46Å; F237-R249 HydrophobicContact CE2-CG 4.26Å; Y244-R249 VanDerWaalsContact OH-CB 3.22Å; Y244-R249 WeakPolarHBondContact OH-CB 3.24Å; S246-R249 WeakPolarHBondContact O-CB 3.29Å; S246-R249 PolarHBondContact O-NH2 2.93Å; R249-T251 PolarHBondContact O-N 3.4Å; R249-L252 PolarHBondContact O-N 2.75Å; R249-A253 VanDerWaalsContact O-CB 3.22Å; R249-A253 WeakPolarHBondContact O-CB 3.44Å; R249-A253 PolarHBondContact O-N 3.37Å |
| 250 | D | 77.5 | Confident | 77.6 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.8 | -29.8 | -173.7 | -61.1 | -16.7 | 0 | 0 | 0 | 110.8 | S248 T254 | S248-D250 PolarHBondContact O-N 2.82Å; D250-T254 PolarHBondContact O-N 3.4Å; D250-T254 PolarHBondContact O-OG1 3.5Å |
| 251 | T | 76.1 | Confident | 76.3 | Confident | 91 Ų | 91 | 72.4 Ų | 72.4 | 56% | 0.558 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.4 | -49.3 | 172.8 | -50 | 0 | 0 | 0 | 0 | 111.3 | S248 R249 A253 T254 E255 | S248-T251 CarbonylContact O-C 3.59Å; S248-T251 WeakPolarHBondContact O-CA 3.34Å; S248-T251 VanDerWaalsContact O-CB 3.29Å; S248-T251 WeakPolarHBondContact O-CB 3.46Å; S248-T251 PolarHBondContact O-N 2.92Å; R249-T251 PolarHBondContact O-N 3.4Å; T251-A253 VanDerWaalsContact C-N 3.34Å; T251-A253 PolarHBondContact O-N 2.85Å; T251-T254 WeakPolarHBondContact O-CA 3.39Å; T251-T254 VanDerWaalsContact O-CB 3.3Å; T251-T254 WeakPolarHBondContact O-CB 3.44Å; T251-T254 PolarHBondContact O-N 2.97Å; T251-E255 PolarHBondContact O-N 3.05Å |
| 252 | L | 81.1 | Confident | 74.9 | Confident | 10 Ų | 10 | 81.2 Ų | 81.2 | 5% | 0.052 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65 | -36.1 | 178.7 | -72.6 | 173.8 | 0 | 0 | 0 | 112.2 | F237 V241 Y244 S248 R249 T254 E255 I256 L298 | F237-L252 HydrophobicContact CB-CD1 4.44Å; F237-L252 HydrophobicContact CD1-CB 4.41Å; F237-L252 HydrophobicContact CD2-CB 4.07Å; F237-L252 HydrophobicContact CD2-CD1 4.43Å; F237-L252 HydrophobicContact CE1-CB 4.23Å; F237-L252 HydrophobicContact CE2-CB 3.85Å; F237-L252 HydrophobicContact CG-CB 4.35Å; F237-L252 HydrophobicContact CG-CD1 4.31Å; F237-L252 HydrophobicContact CZ-CB 3.96Å; V241-L252 HydrophobicContact CG2-CD1 4.31Å; Y244-L252 HydrophobicContact CD2-CD1 3.77Å; Y244-L252 HydrophobicContact CE2-CD1 3.84Å; S248-L252 PolarHBondContact O-N 2.94Å; S248-L252 WeakPolarHBondContact OG-CD1 3.47Å; R249-L252 PolarHBondContact O-N 2.75Å; L252-T254 VanDerWaalsContact C-N 3.29Å; L252-T254 PolarHBondContact O-N 3.01Å; L252-E255 PolarHBondContact O-N 2.87Å; L252-I256 HydrophobicContact CB-CD1 4.31Å; L252-I256 HydrophobicContact CD2-CD1 4.22Å; L252-I256 VanDerWaalsContact O-CB 3.28Å; L252-I256 WeakPolarHBondContact O-CB 3.41Å; L252-I256 WeakPolarHBondContact O-CG1 3.26Å; L252-I256 PolarHBondContact O-N 3.38Å; L252-L298 HydrophobicContact CD2-CD1 4.17Å |
| 253 | A | 80.1 | Confident | 73.6 | Confident | 7 Ų | 7 | 77.8 Ų | 77.8 | 6% | 0.058 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L233 F237 R249 T251 L257 L259 | L233-A253 HydrophobicContact CD1-CB 4.12Å; L233-A253 HydrophobicContact CD2-CB 4.31Å; F237-A253 HydrophobicContact CE2-CB 4.15Å; F237-A253 HydrophobicContact CZ-CB 4.05Å; R249-A253 VanDerWaalsContact O-CB 3.22Å; R249-A253 WeakPolarHBondContact O-CB 3.44Å; R249-A253 PolarHBondContact O-N 3.37Å; T251-A253 VanDerWaalsContact C-N 3.34Å; T251-A253 PolarHBondContact O-N 2.85Å; A253-L257 WeakPolarHBondContact O-CB 3.26Å; A253-L257 PolarHBondContact O-N 3.14Å; A253-L259 HydrophobicContact CB-CD1 4.31Å; A253-L259 PolarHBondContact O-N 3.16Å |
| 254 | T | 77.2 | Confident | 72.4 | Confident | 46 Ų | 46 | 72.5 Ų | 72.5 | 28% | 0.282 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71.2 | -42.9 | 172.2 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | D250 T251 L252 G258 L259 S261 | D250-T254 PolarHBondContact O-N 3.4Å; D250-T254 PolarHBondContact O-OG1 3.5Å; T251-T254 WeakPolarHBondContact O-CA 3.39Å; T251-T254 VanDerWaalsContact O-CB 3.3Å; T251-T254 WeakPolarHBondContact O-CB 3.44Å; T251-T254 PolarHBondContact O-N 2.97Å; L252-T254 VanDerWaalsContact C-N 3.29Å; L252-T254 PolarHBondContact O-N 3.01Å; T254-G258 WeakPolarHBondContact O-CA 3.32Å; T254-G258 PolarHBondContact O-N 3.22Å; T254-L259 WeakPolarHBondContact CA-O 3.48Å; T254-S261 WeakPolarHBondContact OG1-CB 3.5Å |
| 255 | E | 72.7 | Confident | 70.9 | Confident | 66 Ų | 66 | 74 Ų | 74 | 31% | 0.308 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -75.7 | -44 | -175.4 | -173 | 169.1 | -171.8 | 0 | 0 | 112.8 | T251 L252 L298 L299 | T251-E255 PolarHBondContact O-N 3.05Å; L252-E255 PolarHBondContact O-N 2.87Å; E255-L298 WeakPolarHBondContact OE1-CB 3.37Å; E255-L299 HydrophobicContact CG-CD1 3.78Å; E255-L299 PolarHBondContact OE1-N 2.83Å |
| 256 | I | 75.6 | Confident | 69.4 | Low | 64 Ų | 64 | 75.4 Ų | 75.4 | 33% | 0.328 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -88.1 | -44 | -173.4 | -61.6 | 170.1 | 0 | 0 | 0 | 112 | F237 L252 | F237-I256 HydrophobicContact CD1-CD1 4.04Å; F237-I256 HydrophobicContact CE1-CB 4.49Å; F237-I256 HydrophobicContact CE1-CD1 3.73Å; L252-I256 HydrophobicContact CB-CD1 4.31Å; L252-I256 HydrophobicContact CD2-CD1 4.22Å; L252-I256 VanDerWaalsContact O-CB 3.28Å; L252-I256 WeakPolarHBondContact O-CB 3.41Å; L252-I256 WeakPolarHBondContact O-CG1 3.26Å; L252-I256 PolarHBondContact O-N 3.38Å |
| 257 | L | 70 | Confident | 68.1 | Low | 84 Ų | 84 | 79.1 Ų | 79.1 | 44% | 0.44 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -97.2 | 0.3 | -174.5 | -55.1 | 174.5 | 0 | 0 | 0 | 113 | L233 A253 L259 | L233-L257 HydrophobicContact CD2-CD1 3.49Å; L233-L257 VanDerWaalsContact CD2-CD1 3.49Å; A253-L257 WeakPolarHBondContact O-CB 3.26Å; A253-L257 PolarHBondContact O-N 3.14Å; L257-L259 HydrophobicContact CB-CD1 4.03Å; L257-L259 HydrophobicContact CB-CG 3.88Å; L257-L259 HydrophobicContact CD1-CD1 3.93Å; L257-L259 PolarHBondContact O-N 3.12Å |
| 258 | G | 64.3 | Low | 67.1 | Low | 59 Ų | 59 | 73.8 Ų | 73.8 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | trans | 61.1 | 13.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | T254 P260 | T254-G258 WeakPolarHBondContact O-CA 3.32Å; T254-G258 PolarHBondContact O-N 3.22Å; G258-P260 WeakPolarHBondContact O-CD 3.27Å | ||
| 259 | L | 61 | Low | 65.9 | Low | 88 Ų | 88 | 78.2 Ų | 78.2 | 46% | 0.461 | 44% | 0.439 | S | S | . | . | trans | -65.1 | 120.4 | -176.2 | -72.7 | 172.1 | 0 | 0 | 0 | 108.8 | A253 T254 L257 S261 | A253-L259 HydrophobicContact CB-CD1 4.31Å; A253-L259 PolarHBondContact O-N 3.16Å; T254-L259 WeakPolarHBondContact CA-O 3.48Å; L257-L259 HydrophobicContact CB-CD1 4.03Å; L257-L259 HydrophobicContact CB-CG 3.88Å; L257-L259 HydrophobicContact CD1-CD1 3.93Å; L257-L259 PolarHBondContact O-N 3.12Å; L259-S261 PolarHBondContact O-N 2.78Å; L259-S261 VanDerWaalsContact O-N 3.14Å | ||
| 260 | P | 57.2 | Low | 64.6 | Low | 95 Ų | 95 | 84 Ų | 84 | 62% | 0.617 | 47% | 0.465 | S | S | * | . | trans | -65.3 | 122.6 | -174.4 | 25.6 | -33.8 | 0 | 0 | 0 | 109.4 | G258 R262 | G258-P260 WeakPolarHBondContact O-CD 3.27Å; P260-R262 HydrophobicContact CB-CG 4.33Å; P260-R262 PolarHBondContact O-N 2.87Å | ||
| 261 | S | 55.6 | Low | 63.8 | Low | 82 Ų | 82 | 81.5 Ų | 81.5 | 57% | 0.573 | 45% | 0.454 | S | S | * | . | trans | -70.1 | 44.8 | 176.3 | 44.7 | 0 | 0 | 0 | 0 | 113.4 | T254 L259 Q263 | T254-S261 WeakPolarHBondContact OG1-CB 3.5Å; L259-S261 PolarHBondContact O-N 2.78Å; L259-S261 VanDerWaalsContact O-N 3.14Å; S261-Q263 PolarHBondContact O-N 2.93Å | ||
| 262 | R | 53 | Low | 62.9 | Low | 223 Ų | 223 | 79 Ų | 79 | 84% | 0.842 | 44% | 0.44 | S | S | * | . | trans | -69.7 | 74.9 | 167.3 | -71.7 | -178.1 | 178.1 | -140.9 | -0.4 | 109.2 | P260 C264 | P260-R262 HydrophobicContact CB-CG 4.33Å; P260-R262 PolarHBondContact O-N 2.87Å; R262-C264 PolarHBondContact O-N 3.42Å | ||
| 263 | Q | 54.3 | Low | 61.7 | Low | 110 Ų | 110 | 82.8 Ų | 82.8 | 51% | 0.514 | 46% | 0.46 | S | S | . | . | trans | -44.5 | 126.2 | 152.1 | -57.6 | -178.7 | 18.2 | 0 | 0 | 106.7 | S261 T283 | S261-Q263 PolarHBondContact O-N 2.93Å; Q263-T283 HydrophobicContact CB-CG2 4.24Å | ||
| 264 | C | 58.6 | Low | 60.6 | Low | 52 Ų | 52 | 84.1 Ų | 84.1 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | trans | -64.3 | 146.7 | -179 | -149.6 | 0 | 0 | 0 | 0 | 109.3 | R262 C268 C271 | R262-C264 PolarHBondContact O-N 3.42Å; C264-C268 HydrophobicContact CB-CB 3.6Å; C264-C268 WeakPolarHBondContact CB-SG 3.32Å; C264-C268 WeakPolarHBondContact SG-CB 3.5Å; C264-C268 CovalentContact SG-SG 2.04Å; C264-C268 PolarHBondContact SG-SG 3.02Å; C264-C271 HydrophobicContact CB-CB 3.55Å; C264-C271 VanDerWaalsContact CB-SG 3.51Å | ||
| 265 | S | 55.8 | Low | 59.7 | Low | 63 Ų | 63 | 83.6 Ų | 83.6 | 44% | 0.441 | 46% | 0.462 | S | S | . | . | trans | -45.8 | 145.9 | 177.8 | -180 | 0 | 0 | 0 | 0 | 111.3 | D267 C268 | S265-D267 PolarHBondContact O-N 3.08Å; S265-D267 VanDerWaalsContact O-N 3.08Å; S265-D267 PolarHBondContact OG-N 3.37Å; S265-C268 WeakPolarHBondContact O-CB 3.34Å; S265-C268 PolarHBondContact O-N 3.28Å | ||
| 266 | P | 54.5 | Low | 58.9 | Low | 90 Ų | 90 | 83.6 Ų | 83.6 | 58% | 0.584 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -28.8 | 168.3 | 22.1 | -34.1 | 0 | 0 | 0 | 112.8 | C268 | P266-C268 VanDerWaalsContact C-N 3.26Å; P266-C268 PolarHBondContact O-N 3.24Å |
| 267 | D | 56.6 | Low | 57.8 | Low | 138 Ų | 138 | 90.3 Ų | 90.3 | 74% | 0.738 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 14.6 | 176.8 | -48.5 | -55.9 | 0 | 0 | 0 | 113.9 | S265 D269 | S265-D267 PolarHBondContact O-N 3.08Å; S265-D267 VanDerWaalsContact O-N 3.08Å; S265-D267 PolarHBondContact OG-N 3.37Å; D267-D269 PolarHBondContact O-N 2.97Å; D267-D269 VanDerWaalsContact O-N 3.13Å |
| 268 | C | 62.9 | Low | 56.9 | Low | 22 Ų | 22 | 92.7 Ų | 92.7 | 15% | 0.149 | 50% | 0.502 | C | S | . | . | trans | -82.6 | 89.9 | -174.6 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | C264 S265 P266 F270 C271 S272 | C264-C268 HydrophobicContact CB-CB 3.6Å; C264-C268 WeakPolarHBondContact CB-SG 3.32Å; C264-C268 WeakPolarHBondContact SG-CB 3.5Å; C264-C268 CovalentContact SG-SG 2.04Å; C264-C268 PolarHBondContact SG-SG 3.02Å; S265-C268 WeakPolarHBondContact O-CB 3.34Å; S265-C268 PolarHBondContact O-N 3.28Å; P266-C268 VanDerWaalsContact C-N 3.26Å; P266-C268 PolarHBondContact O-N 3.24Å; C268-F270 PolarHBondContact O-N 3Å; C268-C271 HydrophobicContact CB-CB 4.3Å; C268-C271 PolarHBondContact O-N 2.85Å; C268-C271 VanDerWaalsContact SG-CB 3.5Å; C268-C271 PolarHBondContact SG-N 3.21Å; C268-C271 VanDerWaalsContact SG-SG 3.64Å; C268-S272 PolarHBondContact O-N 3.41Å; C268-S272 PolarHBondContact O-OG 3.28Å | ||
| 269 | D | 55.9 | Low | 56.4 | Low | 132 Ų | 132 | 92 Ų | 92 | 71% | 0.706 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -46.4 | -29.2 | 175.6 | -75.4 | -25.6 | 0 | 0 | 0 | 114.8 | D267 S272 | D267-D269 PolarHBondContact O-N 2.97Å; D267-D269 VanDerWaalsContact O-N 3.13Å; D269-S272 PolarHBondContact O-OG 3.44Å |
| 270 | F | 57 | Low | 55.8 | Low | 151 Ų | 151 | 92.8 Ų | 92.8 | 66% | 0.662 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -85.8 | -47 | -179.4 | -67.7 | -89.2 | 0 | 0 | 0 | 112.7 | C268 L274 | C268-F270 PolarHBondContact O-N 3Å; F270-L274 WeakPolarHBondContact O-CG 3.46Å; F270-L274 PolarHBondContact O-N 2.85Å |
| 271 | C | 61.5 | Low | 55.1 | Low | 38 Ų | 38 | 91.7 Ų | 91.7 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.8 | -23.3 | -179.3 | -67.6 | 0 | 0 | 0 | 0 | 112.6 | C264 C268 D273 L274 L275 | C264-C271 HydrophobicContact CB-CB 3.55Å; C264-C271 VanDerWaalsContact CB-SG 3.51Å; C268-C271 HydrophobicContact CB-CB 4.3Å; C268-C271 PolarHBondContact O-N 2.85Å; C268-C271 VanDerWaalsContact SG-CB 3.5Å; C268-C271 PolarHBondContact SG-N 3.21Å; C268-C271 VanDerWaalsContact SG-SG 3.64Å; C271-D273 VanDerWaalsContact C-N 3.34Å; C271-D273 PolarHBondContact O-N 3.46Å; C271-L274 PolarHBondContact O-N 3.15Å; C271-L275 HydrophobicContact CB-CD1 3.95Å; C271-L275 HydrophobicContact CB-CG 4.15Å; C271-L275 WeakPolarHBondContact O-CB 3.42Å; C271-L275 WeakPolarHBondContact O-CD1 3.31Å; C271-L275 WeakPolarHBondContact O-CG 3.5Å; C271-L275 PolarHBondContact O-N 2.84Å |
| 272 | S | 57.1 | Low | 54.7 | Low | 39 Ų | 39 | 94.6 Ų | 94.6 | 27% | 0.273 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -54.9 | -52.9 | 169.4 | 59.1 | 0 | 0 | 0 | 0 | 110 | C268 D269 L274 R280 | C268-S272 PolarHBondContact O-N 3.41Å; C268-S272 PolarHBondContact O-OG 3.28Å; D269-S272 PolarHBondContact O-OG 3.44Å; S272-L274 VanDerWaalsContact C-N 3.34Å; S272-L274 PolarHBondContact O-N 2.82Å; S272-R280 PolarHBondContact O-NE 3.09Å; S272-R280 PolarHBondContact O-NH2 2.93Å |
| 273 | D | 55.4 | Low | 54.4 | Low | 89 Ų | 89 | 85.3 Ų | 85.3 | 48% | 0.476 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65 | -26.8 | 177 | -85.7 | -8.5 | 0 | 0 | 0 | 115.4 | K219 C271 | K219-D273 IonicContact NZ-OD2 2.76Å; K219-D273 PolarHBondContact NZ-OD2 3.07Å; C271-D273 VanDerWaalsContact C-N 3.34Å; C271-D273 PolarHBondContact O-N 3.46Å |
| 274 | L | 55.8 | Low | 53.9 | Low | 36 Ų | 36 | 86.5 Ų | 86.5 | 19% | 0.188 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -95.8 | -17.3 | -177.3 | -65 | 168.8 | 0 | 0 | 0 | 114.4 | K219 L222 I223 F270 C271 S272 | K219-L274 HydrophobicContact CB-CD2 4.16Å; K219-L274 HydrophobicContact CG-CD2 4.19Å; L222-L274 HydrophobicContact CB-CD2 4.43Å; L222-L274 HydrophobicContact CD1-CD1 4.42Å; I223-L274 HydrophobicContact CD1-CD2 4.09Å; I223-L274 HydrophobicContact CG1-CD2 3.77Å; F270-L274 WeakPolarHBondContact O-CG 3.46Å; F270-L274 PolarHBondContact O-N 2.85Å; C271-L274 PolarHBondContact O-N 3.15Å; S272-L274 VanDerWaalsContact C-N 3.34Å; S272-L274 PolarHBondContact O-N 2.82Å |
| 275 | L | 58.5 | Low | 53.2 | Low | 34 Ų | 34 | 89.2 Ų | 89.2 | 18% | 0.178 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -89.9 | 122.5 | 177.3 | -67.3 | 170.3 | 0 | 0 | 0 | 110.2 | R226 C271 E279 R280 | R226-L275 VanDerWaalsContact NH2-CD2 3.25Å; C271-L275 HydrophobicContact CB-CD1 3.95Å; C271-L275 HydrophobicContact CB-CG 4.15Å; C271-L275 WeakPolarHBondContact O-CB 3.42Å; C271-L275 WeakPolarHBondContact O-CD1 3.31Å; C271-L275 WeakPolarHBondContact O-CG 3.5Å; C271-L275 PolarHBondContact O-N 2.84Å; L275-E279 HydrophobicContact CB-CB 4.38Å; L275-E279 HydrophobicContact CD2-CB 4.36Å; L275-E279 WeakPolarHBondContact CD2-OE2 3.2Å; L275-R280 HydrophobicContact CB-CG 4.16Å; L275-R280 PolarHBondContact O-NE 3.17Å |
| 276 | P | 56.3 | Low | 52.8 | Low | 66 Ų | 66 | 91.8 Ų | 91.8 | 43% | 0.429 | 46% | 0.457 | S | S | . | . | trans | -47.9 | 143.6 | 165.5 | -28.9 | 35.5 | 0 | 0 | 0 | 111.8 | N278 E279 | P276-N278 PolarHBondContact O-N 2.74Å; P276-E279 WeakPolarHBondContact CD-OE2 3.34Å; P276-E279 WeakPolarHBondContact O-CB 3.42Å; P276-E279 PolarHBondContact O-N 2.73Å | ||
| 277 | R | 52.3 | Low | 52.3 | Low | 205 Ų | 205 | 94 Ų | 94 | 77% | 0.774 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -52.4 | -31.6 | -172.3 | -166.9 | 177.6 | -176.7 | -176.1 | 0.5 | 113.7 | E279 R280 | R277-E279 VanDerWaalsContact C-N 3.33Å; R277-E279 PolarHBondContact O-N 3.24Å; R277-R280 PolarHBondContact O-N 2.77Å |
| 278 | N | 51.7 | Low | 51.8 | Low | 135 Ų | 135 | 92.2 Ų | 92.2 | 72% | 0.722 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.6 | -27.5 | 179.4 | -60.1 | -8 | 0 | 0 | 0 | 113.2 | P276 | P276-N278 PolarHBondContact O-N 2.74Å |
| 279 | E | 53 | Low | 50.8 | Low | 43 Ų | 43 | 98.1 Ų | 98.1 | 20% | 0.201 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -81.7 | -35.4 | 178.6 | -61.7 | -179 | 168.9 | 0 | 0 | 111.3 | R226 R230 L275 P276 R277 C281 R282 | R226-E279 IonicContact CZ-OE2 2.62Å; R226-E279 VanDerWaalsContact CZ-OE2 3.22Å; R226-E279 IonicContact NH1-OE1 2.94Å; R226-E279 IonicContact NH1-OE2 2.85Å; R226-E279 PolarHBondContact NH1-OE2 2.96Å; R226-E279 IonicContact NH2-OE1 3.14Å; R226-E279 IonicContact NH2-OE2 2.65Å; R226-E279 PolarHBondContact NH2-OE2 3.2Å; R230-E279 IonicContact CZ-OE1 3.92Å; R230-E279 VanDerWaalsContact CZ-OE1 3.27Å; R230-E279 IonicContact NH1-OE1 3.32Å; R230-E279 PolarHBondContact NH1-OE1 3.47Å; R230-E279 IonicContact NH2-OE1 3.86Å; R230-E279 PolarHBondContact NH2-OE1 2.91Å; R230-E279 IonicContact NH2-OE2 3.05Å; L275-E279 HydrophobicContact CB-CB 4.38Å; L275-E279 HydrophobicContact CD2-CB 4.36Å; L275-E279 WeakPolarHBondContact CD2-OE2 3.2Å; P276-E279 WeakPolarHBondContact CD-OE2 3.34Å; P276-E279 WeakPolarHBondContact O-CB 3.42Å; P276-E279 PolarHBondContact O-N 2.73Å; R277-E279 VanDerWaalsContact C-N 3.33Å; R277-E279 PolarHBondContact O-N 3.24Å; E279-C281 PolarHBondContact O-N 2.95Å; E279-C281 VanDerWaalsContact O-N 3.17Å; E279-R282 PolarHBondContact O-N 3.44Å |
| 280 | R | 48.5 | Very low | 50.1 | Low | 106 Ų | 106 | 100.3 Ų | 100.3 | 40% | 0.4 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.6 | -28.8 | 174 | -54.9 | -171.1 | -166.4 | 180 | 3.5 | 113 | S272 L275 R277 T283 | S272-R280 PolarHBondContact O-NE 3.09Å; S272-R280 PolarHBondContact O-NH2 2.93Å; L275-R280 HydrophobicContact CB-CG 4.16Å; L275-R280 PolarHBondContact O-NE 3.17Å; R277-R280 PolarHBondContact O-N 2.77Å; R280-T283 PolarHBondContact O-OG1 3.31Å |
| 281 | C | 42.2 | Very low | 49.2 | Very low | 71 Ų | 71 | 101.9 Ų | 101.9 | 48% | 0.48 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -80 | -18.1 | 176.3 | -63.2 | 0 | 0 | 0 | 0 | 113.5 | E279 N285 | E279-C281 PolarHBondContact O-N 2.95Å; E279-C281 VanDerWaalsContact O-N 3.17Å; C281-N285 PolarHBondContact O-ND2 3.42Å |
| 282 | R | 47.4 | Very low | 48 | Very low | 144 Ų | 144 | 107.5 Ų | 107.5 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -78.1 | -44.5 | 178 | -72.8 | -173 | 175.3 | -177.8 | 0.1 | 111.6 | E279 Q284 N285 Y286 | E279-R282 PolarHBondContact O-N 3.44Å; R282-Q284 PolarHBondContact O-N 2.85Å; R282-N285 PolarHBondContact O-N 3.05Å; R282-Y286 PolarHBondContact O-N 2.97Å |
| 283 | T | 47.3 | Very low | 47 | Very low | 28 Ų | 28 | 112.8 Ų | 112.8 | 17% | 0.172 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -57 | -48.8 | -180 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | Q263 R280 N285 Y286 | Q263-T283 HydrophobicContact CB-CG2 4.24Å; R280-T283 PolarHBondContact O-OG1 3.31Å; T283-N285 PolarHBondContact O-N 3.25Å; T283-N285 VanDerWaalsContact O-N 3.16Å; T283-Y286 PolarHBondContact O-N 3.18Å |
| 284 | Q | 43.9 | Very low | 46 | Very low | 135 Ų | 135 | 117.8 Ų | 117.8 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.4 | -25.2 | 179.7 | -69.4 | -171.6 | -22.9 | 0 | 0 | 114.9 | R282 | R282-Q284 PolarHBondContact O-N 2.85Å |
| 285 | N | 43.1 | Very low | 45.3 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -92.8 | -18.9 | -178.9 | -77.9 | -77.7 | 0 | 0 | 0 | 113.7 | C281 R282 T283 | C281-N285 PolarHBondContact O-ND2 3.42Å; R282-N285 PolarHBondContact O-N 3.05Å; T283-N285 PolarHBondContact O-N 3.25Å; T283-N285 VanDerWaalsContact O-N 3.16Å |
| 286 | Y | 47.6 | Very low | 44.6 | Very low | 117 Ų | 117 | 124 Ų | 124 | 46% | 0.459 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -76.8 | -39.8 | -177.5 | -103.3 | -90.8 | 0 | 0 | 0 | 113.3 | R282 T283 S288 N289 R290 | R282-Y286 PolarHBondContact O-N 2.97Å; T283-Y286 PolarHBondContact O-N 3.18Å; Y286-S288 PolarHBondContact O-N 3.41Å; Y286-N289 PolarHBondContact O-N 3.46Å; Y286-R290 PolarHBondContact O-N 2.83Å |
| 287 | D | 45.4 | Very low | 44.1 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -21.9 | 178.7 | -72.5 | -32.6 | 0 | 0 | 0 | 113.3 | ||
| 288 | S | 44.7 | Very low | 43.8 | Very low | 99 Ų | 99 | 121 Ų | 121 | 69% | 0.692 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -11.3 | -179.6 | -61.5 | 0 | 0 | 0 | 0 | 114.2 | Y286 | Y286-S288 PolarHBondContact O-N 3.41Š|
| 289 | N | 43 | Very low | 43.6 | Very low | 147 Ų | 147 | 118.9 Ų | 118.9 | 79% | 0.786 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 0.4 | -165.6 | -118.5 | -12.5 | 0 | 0 | 0 | 115.6 | Y286 Q291 | Y286-N289 PolarHBondContact O-N 3.46Å; N289-Q291 PolarHBondContact O-N 2.99Å |
| 290 | R | 39.9 | Very low | 43.4 | Very low | 177 Ų | 177 | 119.3 Ų | 119.3 | 67% | 0.668 | 60% | 0.603 | S | S | * | * | trans | -81.3 | 79.8 | 174.9 | -89.8 | -169.2 | 162.9 | -160.9 | -4.2 | 112.7 | Y286 | Y286-R290 PolarHBondContact O-N 2.83Š| ||
| 291 | Q | 39.6 | Very low | 43.2 | Very low | 184 Ų | 184 | 120.7 Ų | 120.7 | 86% | 0.86 | 61% | 0.614 | S | S | * | * | trans | -74.8 | 141.9 | 145 | -78.1 | -169.7 | -17.4 | 0 | 0 | 109.4 | N289 N293 | N289-Q291 PolarHBondContact O-N 2.99Å; Q291-N293 PolarHBondContact O-N 3.45Å | ||
| 292 | N | 34.9 | Very low | 43.4 | Very low | 157 Ų | 157 | 122.5 Ų | 122.5 | 84% | 0.84 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -74.9 | 91.3 | -167.7 | -65.7 | -45.8 | 0 | 0 | 0 | 112.8 | ||
| 293 | N | 35.6 | Very low | 43.3 | Very low | 149 Ų | 149 | 120.2 Ų | 120.2 | 80% | 0.797 | 62% | 0.624 | S | S | * | * | trans | -151.6 | 94 | 166.3 | -87.2 | -48.4 | 0 | 0 | 0 | 111.5 | Q291 | Q291-N293 PolarHBondContact O-N 3.45Š| ||
| 294 | Y | 35.8 | Very low | 42.9 | Very low | 195 Ų | 195 | 123.3 Ų | 123.3 | 77% | 0.765 | 65% | 0.647 | S | S | * | * | trans | -141.9 | 126.9 | 161 | -93.5 | -81.4 | 0 | 0 | 0 | 108.8 | ||||
| 295 | P | 41.6 | Very low | 42.4 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 60% | 0.604 | 66% | 0.655 | S | S | * | * | trans | -86.3 | 131.4 | -173 | 33.1 | -34.4 | 0 | 0 | 0 | 112.6 | Q297 | P295-Q297 HydrophobicContact CB-CG 4.24Å; P295-Q297 PolarHBondContact O-N 3.26Å | ||
| 296 | S | 42.3 | Very low | 42.2 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 74% | 0.741 | 66% | 0.66 | S | S | * | * | trans | -76.3 | 59.2 | 177.1 | -55 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 297 | Q | 45.5 | Very low | 41.8 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 65% | 0.645 | 68% | 0.682 | S | S | * | * | trans | -85.7 | -25.9 | -177 | -77.6 | 176.3 | -12.7 | 0 | 0 | 114.3 | P295 A300 Q301 | P295-Q297 HydrophobicContact CB-CG 4.24Å; P295-Q297 PolarHBondContact O-N 3.26Å; Q297-A300 PolarHBondContact O-N 3.42Å; Q297-Q301 PolarHBondContact O-N 2.77Å | ||
| 298 | L | 47.7 | Very low | 41.2 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 37% | 0.372 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -69.1 | -49.4 | -177.4 | -100.6 | 165.8 | 0 | 0 | 0 | 112.8 | L252 E255 A300 Q301 I302 | L252-L298 HydrophobicContact CD2-CD1 4.17Å; E255-L298 WeakPolarHBondContact OE1-CB 3.37Å; L298-A300 PolarHBondContact O-N 3.18Å; L298-A300 VanDerWaalsContact O-N 3.08Å; L298-Q301 PolarHBondContact O-N 2.74Å; L298-I302 PolarHBondContact O-N 2.79Å |
| 299 | L | 46.8 | Very low | 41 | Very low | 91 Ų | 91 | 128 Ų | 128 | 48% | 0.476 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -54.5 | -28.9 | 174.6 | -140.9 | 77.3 | 0 | 0 | 0 | 113.9 | E255 S303 | E255-L299 HydrophobicContact CG-CD1 3.78Å; E255-L299 PolarHBondContact OE1-N 2.83Å; L299-S303 WeakPolarHBondContact O-CB 3.35Å; L299-S303 PolarHBondContact O-N 2.89Å; L299-S303 PolarHBondContact O-OG 2.94Å |
| 300 | A | 48.3 | Very low | 40.6 | Very low | 51 Ų | 51 | 126.6 Ų | 126.6 | 42% | 0.421 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -74.8 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q297 L298 S303 S304 | Q297-A300 PolarHBondContact O-N 3.42Å; L298-A300 PolarHBondContact O-N 3.18Å; L298-A300 VanDerWaalsContact O-N 3.08Å; A300-S303 PolarHBondContact O-N 3.11Å; A300-S304 PolarHBondContact O-N 3.31Å; A300-S304 PolarHBondContact O-OG 3.19Å |
| 301 | Q | 44.3 | Very low | 40.4 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -64.9 | -44.3 | 176.6 | -71.3 | 177.6 | -28.9 | 0 | 0 | 111.3 | Q297 L298 S303 S304 | Q297-Q301 PolarHBondContact O-N 2.77Å; L298-Q301 PolarHBondContact O-N 2.74Å; Q301-S303 PolarHBondContact O-N 3.48Å; Q301-S304 PolarHBondContact O-N 2.98Å |
| 302 | I | 46.9 | Very low | 40 | Very low | 109 Ų | 109 | 123 Ų | 123 | 56% | 0.559 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -63.2 | -29.4 | 177.4 | -56.3 | 170.5 | 0 | 0 | 0 | 111.6 | L298 | L298-I302 PolarHBondContact O-N 2.79Å |
| 303 | S | 46.1 | Very low | 39.9 | Very low | 96 Ų | 96 | 121.1 Ų | 121.1 | 67% | 0.671 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -3.7 | -176.8 | -57.2 | 0 | 0 | 0 | 0 | 115 | L299 A300 Q301 | L299-S303 WeakPolarHBondContact O-CB 3.35Å; L299-S303 PolarHBondContact O-N 2.89Å; L299-S303 PolarHBondContact O-OG 2.94Å; A300-S303 PolarHBondContact O-N 3.11Å; Q301-S303 PolarHBondContact O-N 3.48Å |
| 304 | S | 37.2 | Very low | 39.9 | Very low | 92 Ų | 92 | 121 Ų | 121 | 64% | 0.643 | 70% | 0.697 | S | S | * | * | trans | -92.9 | -7.9 | -166.9 | -68.6 | 0 | 0 | 0 | 0 | 115.5 | A300 Q301 S306 | A300-S304 PolarHBondContact O-N 3.31Å; A300-S304 PolarHBondContact O-OG 3.19Å; Q301-S304 PolarHBondContact O-N 2.98Å; S304-S306 PolarHBondContact O-N 3.21Å; S304-S306 VanDerWaalsContact O-N 3.12Å | ||
| 305 | T | 34 | Very low | 39.8 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -88.8 | 59.5 | -170.4 | 38.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 306 | S | 39 | Very low | 39.6 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | -146.6 | 130.2 | 162.4 | 83.4 | 0 | 0 | 0 | 0 | 115.7 | S304 | S304-S306 PolarHBondContact O-N 3.21Å; S304-S306 VanDerWaalsContact O-N 3.12Å | ||
| 307 | R | 38.6 | Very low | 39.3 | Very low | 242 Ų | 242 | 125.7 Ų | 125.7 | 91% | 0.913 | 71% | 0.707 | S | S | * | * | trans | 57.1 | 81.6 | 155.8 | -61.1 | -176.3 | -179.9 | 179.7 | 1.1 | 119.3 | ||||
| 308 | S | 34.3 | Very low | 39.1 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | -65.9 | 166.7 | 135.7 | -159 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 309 | P | 39.4 | Very low | 38.4 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | cis | -131.9 | 159.1 | 1.8 | 40.3 | -24.7 | 0 | 0 | 0 | 116.5 | ||||
| 310 | S | 34 | Very low | 37.8 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -177.6 | 151.4 | 130.7 | -83.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 311 | P | 36.5 | Very low | 37.3 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | trans | -94.5 | 148.7 | -164.7 | 35.8 | -36.2 | 0 | 0 | 0 | 116.1 | S313 | P311-S313 PolarHBondContact O-N 2.91Š| ||
| 312 | L | 32.3 | Very low | 37 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | trans | 25.9 | 90.9 | 141.2 | -67.2 | 137.1 | 0 | 0 | 0 | 118.5 | ||||
| 313 | S | 30.9 | Very low | 36.7 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -171 | 77.2 | 138.9 | -164.7 | 0 | 0 | 0 | 0 | 114.7 | P311 | P311-S313 PolarHBondContact O-N 2.91Š| ||
| 314 | T | 36.9 | Very low | 36.2 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | trans | -151.3 | 120 | 149.9 | -7.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 315 | R | 34.1 | Very low | 36.2 | Very low | 209 Ų | 209 | 136.7 Ų | 136.7 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 134.1 | 175.1 | 162.9 | -173.3 | -179.3 | -178 | 3.9 | 113.1 | ||
| 316 | P | 36.8 | Very low | 36.4 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 135.9 | 160.3 | 30.8 | -32.5 | 0 | 0 | 0 | 110.1 | ||
| 317 | Q | 35.6 | Very low | 36.5 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 120.4 | 172.8 | -72.4 | -174.8 | -13 | 0 | 0 | 110.7 | ||
| 318 | I | 40.7 | Very low | 36.5 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -128.1 | 141 | 152.8 | -56.4 | -179.4 | 0 | 0 | 0 | 105.8 | ||||
| 319 | S | 34.1 | Very low | 36.6 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | trans | -127.1 | 148.5 | -158.4 | -57.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 320 | I | 34.8 | Very low | 36.4 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | 74.3 | 130.2 | 165.9 | -52.5 | 149.6 | 0 | 0 | 0 | 112.5 | ||||
| 321 | S | 36.1 | Very low | 36.6 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | cis | -148.5 | 164.3 | 5.1 | 35.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 322 | L | 38.3 | Very low | 36.6 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | -62.6 | 173.7 | 168.2 | -106 | 71.5 | 0 | 0 | 0 | 113.4 | ||||
| 323 | P | 40.3 | Very low | 37.2 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | cis | -135.9 | 179.5 | 28.3 | 40.2 | -20.2 | 0 | 0 | 0 | 118.8 | ||||
| 324 | S | 35.8 | Very low | 37.8 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -58.1 | 174.2 | 177.9 | -28.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 325 | N | 38.2 | Very low | 37.7 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | cis | -163.8 | 154.5 | 45 | -135.2 | 27.8 | 0 | 0 | 0 | 113.9 | ||||
| 326 | D | 38.6 | Very low | 38 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | trans | 44.4 | 152.7 | 146.6 | -73.2 | -46.3 | 0 | 0 | 0 | 123.9 | ||||
| 327 | T | 39.5 | Very low | 37.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | cis | -179.5 | 163 | -25.7 | -98.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 328 | L | 39.3 | Very low | 38 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | 84.1 | 126.2 | 160.5 | -88 | 159.9 | 0 | 0 | 0 | 123.3 | ||||
| 329 | R | 36.4 | Very low | 37.6 | Very low | 226 Ų | 226 | 128.8 Ų | 128.8 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | 68.7 | 152.1 | 148.4 | -82 | 176 | 168.2 | 174.5 | -4.4 | 121.9 | ||||
| 330 | S | 35.1 | Very low | 37.9 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 50% | 0.503 | 77% | 0.773 | S | S | . | * | cis | 174.3 | 145.4 | -39 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 331 | Q | 38.3 | Very low | 37.9 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | 67.4 | 154.6 | 157 | -61.9 | 163.6 | 112 | 0 | 0 | 117.3 | ||||
| 332 | T | 36.8 | Very low | 38.3 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | cis | -161.6 | 151.2 | -21.8 | 27 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 333 | P | 44.8 | Very low | 38.5 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -87.4 | 164.1 | 169.4 | 37.4 | -34.8 | 0 | 0 | 0 | 112.8 | ||||
| 334 | P | 43.6 | Very low | 38.6 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | -146.4 | 176.5 | 125.1 | 39.4 | -24.3 | 0 | 0 | 0 | 116 | |||||
| 335 | D | 33.9 | Very low | 38.8 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | -66.5 | 166.9 | -166.8 | -43 | -66.3 | 0 | 0 | 0 | 118.2 | ||||
| 336 | S | 42.1 | Very low | 38.8 | Very low | 128 Ų | 128 | 132 Ų | 132 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | -158.4 | 144.1 | 148.3 | -79.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 337 | T | 33.3 | Very low | 38.7 | Very low | 145 Ų | 145 | 131 Ų | 131 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -116.3 | 150.7 | -173.6 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 338 | A | 38.1 | Very low | 38.7 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | trans | -159.7 | 156.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 339 | S | 33.3 | Very low | 38.7 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -133.6 | 162 | -174.4 | 59.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 340 | Y | 39.2 | Very low | 38.4 | Very low | 223 Ų | 223 | 128.7 Ų | 128.7 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | trans | -152.5 | 149.5 | 156.9 | -158.3 | -101.9 | 0 | 0 | 0 | 111.1 | ||||
| 341 | V | 36 | Very low | 38.5 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | trans | -145.1 | 143.1 | -171.2 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 342 | G | 44.5 | Very low | 38.3 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | -157.4 | 130 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 343 | S | 41.6 | Very low | 38.2 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | cis | 81.9 | 121.4 | 47.4 | -171.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 344 | D | 41.3 | Very low | 37.7 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | cis | -154.7 | 154.5 | 7.9 | -114.9 | 30.9 | 0 | 0 | 0 | 113.5 | ||||
| 345 | N | 40.2 | Very low | 37 | Very low | 121 Ų | 121 | 131 Ų | 131 | 65% | 0.647 | 77% | 0.766 | S | S | * | * | trans | 46.5 | 114.9 | 147.7 | -47.8 | -30.5 | 0 | 0 | 0 | 123.2 | ||||
| 346 | D | 38.3 | Very low | 36.9 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | 166.3 | 142.8 | 105.9 | -91.7 | -14.5 | 0 | 0 | 0 | 111.3 | |||||
| 347 | V | 37.9 | Very low | 36.2 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | cis | -171.4 | 154.8 | -37.8 | 123.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 348 | F | 39.2 | Very low | 36.2 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | 77.2 | 143.7 | 179.4 | -75 | -56.3 | 0 | 0 | 0 | 117.9 | ||||
| 349 | P | 37.8 | Very low | 35.8 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | -128.2 | 165.7 | -97.5 | 42.9 | -33.3 | 0 | 0 | 0 | 117 | |||||
| 350 | D | 30.7 | Very low | 35.7 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 65% | 0.652 | 74% | 0.735 | S | S | * | * | trans | -74.1 | 168.1 | 168.4 | -154 | 24.3 | 0 | 0 | 0 | 111.7 | E352 | D350-E352 PolarHBondContact OD1-N 3.26Å; D350-E352 VanDerWaalsContact OD1-N 3.14Å; D350-E352 PolarHBondContact OD2-N 3.05Å | ||
| 351 | P | 38.3 | Very low | 35.2 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | -142.9 | 134.6 | 77.3 | 35.4 | -17.1 | 0 | 0 | 0 | 117.2 | |||||
| 352 | E | 34.4 | Very low | 35.1 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | trans | 63.3 | 107.5 | 133.9 | -61.6 | -104.4 | 123.6 | 0 | 0 | 119 | D350 V354 | D350-E352 PolarHBondContact OD1-N 3.26Å; D350-E352 VanDerWaalsContact OD1-N 3.14Å; D350-E352 PolarHBondContact OD2-N 3.05Å; E352-V354 PolarHBondContact O-N 3.28Å; E352-V354 VanDerWaalsContact O-N 3.16Å | ||
| 353 | P | 32.9 | Very low | 34.4 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -74.8 | 100.5 | 161.2 | 31.4 | -31.1 | 0 | 0 | 0 | 110 | D355 | P353-D355 PolarHBondContact O-N 3.38Š| ||
| 354 | V | 34.4 | Very low | 33.8 | Very low | 115 Ų | 115 | 127 Ų | 127 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | trans | -67.8 | 106.6 | 178.6 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | E352 S356 | E352-V354 PolarHBondContact O-N 3.28Å; E352-V354 VanDerWaalsContact O-N 3.16Å; V354-S356 PolarHBondContact O-N 2.92Å | ||
| 355 | D | 30.1 | Very low | 33.3 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | -65.2 | 102.8 | 172 | -138.6 | -25.5 | 0 | 0 | 0 | 109.5 | P353 | P353-D355 PolarHBondContact O-N 3.38Š| ||
| 356 | S | 31.3 | Very low | 33 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 56% | 0.559 | 75% | 0.747 | S | S | * | * | trans | -121.9 | 85.3 | 178.1 | -76.8 | 0 | 0 | 0 | 0 | 110.5 | V354 L358 | V354-S356 PolarHBondContact O-N 2.92Å; S356-L358 PolarHBondContact O-N 3.4Å | ||
| 357 | C | 28.3 | Very low | 32.6 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -65.4 | 77.5 | 167.3 | -76.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 358 | L | 31.9 | Very low | 32.3 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | trans | -110.2 | 104.7 | 172.2 | -73.4 | 175.6 | 0 | 0 | 0 | 110.1 | S356 D360 | S356-L358 PolarHBondContact O-N 3.4Å; L358-D360 PolarHBondContact O-N 3.28Å | ||
| 359 | S | 29.8 | Very low | 31.8 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -62 | 118.1 | 155.9 | 50.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 360 | D | 30.4 | Very low | 31.6 | Very low | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | 176.3 | 143.4 | 120.3 | -91.2 | -16.4 | 0 | 0 | 0 | 114.2 | L358 | L358-D360 PolarHBondContact O-N 3.28Š| |||
| 361 | N | 28.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 134 Ų | 134 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | trans | 40.5 | 91.7 | 150.9 | -66.5 | -62.1 | 0 | 0 | 0 | 120.2 | ||||
| 362 | T | 34.9 | Very low | 31.5 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | -117.5 | 49.2 | 149.8 | 46.3 | 0 | 0 | 0 | 0 | 112.5 | A364 | T362-A364 PolarHBondContact O-N 3.41Š| ||
| 363 | N | 29.1 | Very low | 31.2 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -67.7 | 73.5 | 159.3 | -82.5 | -55 | 0 | 0 | 0 | 109.7 | ||||
| 364 | A | 28.9 | Very low | 31.2 | Very low | 67 Ų | 67 | 135 Ų | 135 | 55% | 0.554 | 75% | 0.753 | S | S | * | * | trans | -151.1 | 145.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T362 | T362-A364 PolarHBondContact O-N 3.41Š| ||
| 365 | L | 31.1 | Very low | 31 | Very low | 152 Ų | 152 | 140 Ų | 140 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 74.1 | 31.8 | 151.1 | -65.4 | 164.7 | 0 | 0 | 0 | 121.2 | ||
| 366 | I | 33.5 | Very low | 31.3 | Very low | 172 Ų | 172 | 139 Ų | 139 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -129.3 | 55.5 | 151.9 | -40.3 | 179.6 | 0 | 0 | 0 | 111.4 | ||
| 367 | N | 31.5 | Very low | 31.2 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -148.9 | 23.3 | -179.5 | -146.3 | 0.6 | 0 | 0 | 0 | 114.8 | ||
| 368 | T | 30.3 | Very low | 31.6 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 64% | 0.638 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -142 | 14.3 | -164 | 45.7 | 0 | 0 | 0 | 0 | 116.4 | ||
| 369 | R | 29.6 | Very low | 31.8 | Very low | 228 Ų | 228 | 136.7 Ų | 136.7 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -135.1 | -13.7 | 177.5 | -86.9 | -169 | 171.8 | -177 | -2.2 | 118.5 | S371 | R369-S371 VanDerWaalsContact C-N 3.29Å; R369-S371 PolarHBondContact O-N 3.28Å |
| 370 | L | 34.2 | Very low | 32.1 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -0.9 | 178.7 | -78 | 168 | 0 | 0 | 0 | 114.4 | ||
| 371 | S | 33.6 | Very low | 32.5 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 0.9 | -173.5 | 48 | 0 | 0 | 0 | 0 | 115.7 | R369 | R369-S371 VanDerWaalsContact C-N 3.29Å; R369-S371 PolarHBondContact O-N 3.28Å |
| 372 | Q | 31.7 | Very low | 33 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -137.5 | -6.6 | -176.3 | -77.4 | -176 | -22.3 | 0 | 0 | 115.8 | L374 | Q372-L374 PolarHBondContact O-N 3.07Š|
| 373 | S | 29.1 | Very low | 33.2 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 57% | 0.573 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -89 | 83.8 | -177.7 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 374 | L | 31.9 | Very low | 33.7 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 56.9 | 67.9 | 148.9 | -51.9 | 176.9 | 0 | 0 | 0 | 117.4 | Q372 L376 | Q372-L374 PolarHBondContact O-N 3.07Å; L374-L376 HydrophobicContact CD2-CD1 4.08Å; L374-L376 PolarHBondContact O-N 3.25Å | ||
| 375 | F | 31.6 | Very low | 34.3 | Very low | 219 Ų | 219 | 144.2 Ų | 144.2 | 96% | 0.961 | 76% | 0.76 | S | S | * | * | trans | -68.5 | 76.1 | 139.7 | -80.3 | -84.2 | 0 | 0 | 0 | 108.5 | ||||
| 376 | L | 35.4 | Very low | 34.7 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | trans | -67.3 | 138.3 | 165.4 | -131.1 | 77.6 | 0 | 0 | 0 | 107.7 | L374 S378 | L374-L376 HydrophobicContact CD2-CD1 4.08Å; L374-L376 PolarHBondContact O-N 3.25Å; L376-S378 PolarHBondContact O-N 2.9Å; L376-S378 PolarHBondContact O-OG 3.27Å; L376-S378 VanDerWaalsContact O-OG 3.09Å | ||
| 377 | D | 30.3 | Very low | 34.9 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | trans | -64.5 | 93.3 | -171.7 | -162.9 | -32.4 | 0 | 0 | 0 | 111.8 | S379 S380 | D377-S379 PolarHBondContact O-N 2.79Å; D377-S379 VanDerWaalsContact O-N 3.08Å; D377-S379 WeakPolarHBondContact OD1-CB 3.47Å; D377-S379 PolarHBondContact OD1-N 3.3Å; D377-S379 PolarHBondContact OD1-OG 3.01Å; D377-S380 PolarHBondContact O-OG 2.95Å | ||
| 378 | S | 35.3 | Very low | 35.1 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -70.6 | -4.4 | -168.7 | -57.4 | 0 | 0 | 0 | 0 | 114.3 | L376 S380 V381 | L376-S378 PolarHBondContact O-N 2.9Å; L376-S378 PolarHBondContact O-OG 3.27Å; L376-S378 VanDerWaalsContact O-OG 3.09Å; S378-S380 PolarHBondContact O-N 3.48Å; S378-S380 VanDerWaalsContact O-N 3.14Å; S378-V381 PolarHBondContact O-N 3.16Å |
| 379 | S | 36.1 | Very low | 35.4 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -55.9 | -25.9 | 177.2 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | D377 | D377-S379 PolarHBondContact O-N 2.79Å; D377-S379 VanDerWaalsContact O-N 3.08Å; D377-S379 WeakPolarHBondContact OD1-CB 3.47Å; D377-S379 PolarHBondContact OD1-N 3.3Å; D377-S379 PolarHBondContact OD1-OG 3.01Å |
| 380 | S | 36.2 | Very low | 35.7 | Very low | 91 Ų | 91 | 137 Ų | 137 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -90.3 | -9.5 | -176.1 | 58.7 | 0 | 0 | 0 | 0 | 115.8 | D377 S378 | D377-S380 PolarHBondContact O-OG 2.95Å; S378-S380 PolarHBondContact O-N 3.48Å; S378-S380 VanDerWaalsContact O-N 3.14Å |
| 381 | V | 40.2 | Very low | 35.8 | Very low | 96 Ų | 96 | 136 Ų | 136 | 58% | 0.582 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -83.1 | -20.5 | -165.2 | -178.3 | 0 | 0 | 0 | 0 | 113.5 | S378 E383 | S378-V381 PolarHBondContact O-N 3.16Å; V381-E383 PolarHBondContact O-N 2.73Å |
| 382 | L | 38.2 | Very low | 35.8 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -78.4 | -8.8 | -169.9 | -71.6 | 172.4 | 0 | 0 | 0 | 115.9 | ||
| 383 | E | 40.7 | Very low | 36 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 89% | 0.888 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -84.8 | -13.8 | 179.3 | -69.8 | -156 | 126.5 | 0 | 0 | 114.6 | V381 | V381-E383 PolarHBondContact O-N 2.73Š|
| 384 | R | 38.7 | Very low | 36.1 | Very low | 214 Ų | 214 | 138.4 Ų | 138.4 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -94.1 | 131 | 178.5 | -75.1 | -176.8 | 173.7 | 171.3 | -1.1 | 111.3 | L386 | R384-L386 PolarHBondContact O-N 3.48Š|
| 385 | P | 40.8 | Very low | 36.2 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 133.1 | 173.4 | 27.2 | -33.6 | 0 | 0 | 0 | 109.8 | ||
| 386 | L | 40.1 | Very low | 36.2 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 140.3 | 179.1 | -67.1 | 172.8 | 0 | 0 | 0 | 110.6 | R384 S388 | R384-L386 PolarHBondContact O-N 3.48Å; L386-S388 PolarHBondContact O-N 2.93Å |
| 387 | P | 37.5 | Very low | 36.1 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 59% | 0.591 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 120.9 | 175.6 | -22 | 33.3 | 0 | 0 | 0 | 111.3 | Y389 | P387-Y389 HydrophobicContact CB-CD2 4.44Å; P387-Y389 HydrophobicContact CB-CE2 3.81Å; P387-Y389 WeakPolarHBondContact O-CD2 3.39Å; P387-Y389 PolarHBondContact O-N 3.42Å |
| 388 | S | 35.7 | Very low | 36.4 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 51% | 0.51 | 73% | 0.728 | S | S | . | * | trans | -82.7 | 115.1 | 178.2 | -159.1 | 0 | 0 | 0 | 0 | 110.5 | L386 | L386-S388 PolarHBondContact O-N 2.93Š| ||
| 389 | Y | 36.2 | Very low | 36.2 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | -101.1 | 102.2 | 176.9 | -68.6 | -84.2 | 0 | 0 | 0 | 110.2 | P387 I391 | P387-Y389 HydrophobicContact CB-CD2 4.44Å; P387-Y389 HydrophobicContact CB-CE2 3.81Å; P387-Y389 WeakPolarHBondContact O-CD2 3.39Å; P387-Y389 PolarHBondContact O-N 3.42Å; Y389-I391 PolarHBondContact O-N 2.94Å | ||
| 390 | H | 35.8 | Very low | 36 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | trans | -74.6 | 119.3 | 177.4 | -75.3 | -70.9 | 0 | 0 | 0 | 112 | N392 | H390-N392 PolarHBondContact O-N 3.11Š| ||
| 391 | I | 37.3 | Very low | 35.8 | Very low | 146 Ų | 146 | 156.7 Ų | 156.7 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -85.5 | 107.1 | 175.4 | -55.9 | 176.9 | 0 | 0 | 0 | 109.4 | Y389 V393 | Y389-I391 PolarHBondContact O-N 2.94Å; I391-V393 HydrophobicContact CG2-CG2 4.11Å; I391-V393 PolarHBondContact O-N 2.88Å | ||
| 392 | N | 32.9 | Very low | 35.3 | Very low | 132 Ų | 132 | 158.6 Ų | 158.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -72.8 | 114.3 | 173.9 | -88.1 | -34.9 | 0 | 0 | 0 | 111.3 | H390 | H390-N392 PolarHBondContact O-N 3.11Š| ||
| 393 | V | 36.1 | Very low | 34.9 | Very low | 127 Ų | 127 | 160.3 Ų | 160.3 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -120.3 | 93.3 | 168 | -175 | 0 | 0 | 0 | 0 | 109.3 | I391 | I391-V393 HydrophobicContact CG2-CG2 4.11Å; I391-V393 PolarHBondContact O-N 2.88Å | ||
| 394 | F | 32 | Very low | 34.5 | Very low | 159 Ų | 159 | 159.3 Ų | 159.3 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | trans | -82.9 | 124.1 | 164.8 | -81.4 | -100.5 | 0 | 0 | 0 | 109.4 | ||||
| 395 | D | 33.7 | Very low | 34.2 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -136.9 | 160.7 | 152.5 | -162.6 | 6.6 | 0 | 0 | 0 | 109.5 | ||||
| 396 | S | 31.8 | Very low | 33.8 | Very low | 86 Ų | 86 | 153.2 Ų | 153.2 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | trans | -118.3 | 170.9 | -150.8 | 71.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 397 | R | 33.2 | Very low | 33.6 | Very low | 224 Ų | 224 | 153.2 Ų | 153.2 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | 57.4 | 92 | 170.1 | -58.4 | 176.2 | 176.3 | -175.2 | -0.7 | 115.8 | ||||
| 398 | N | 36.5 | Very low | 33.2 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | -171.5 | 100.4 | 129 | -101.4 | -55.9 | 0 | 0 | 0 | 111.7 | K400 | N398-K400 PolarHBondContact O-N 3.48Š| |||
| 399 | H | 29.8 | Very low | 33.2 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | -80.2 | 112.2 | 174.7 | -71.8 | -62.2 | 0 | 0 | 0 | 111.7 | ||||
| 400 | K | 33.6 | Very low | 33 | Very low | 200 Ų | 200 | 157.2 Ų | 157.2 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | -152.5 | 108.7 | 161.2 | -111.5 | 163.2 | -172.9 | 171.6 | 0 | 111.9 | N398 | N398-K400 PolarHBondContact O-N 3.48Š| ||
| 401 | R | 30.3 | Very low | 33 | Very low | 250 Ų | 250 | 156.7 Ų | 156.7 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | trans | 47.8 | 82.7 | 167.8 | -64.5 | -176.6 | 177.7 | 172.8 | -0.7 | 115.6 | R403 | R401-R403 PolarHBondContact O-N 3.42Š| ||
| 402 | V | 29.8 | Very low | 32.9 | Very low | 136 Ų | 136 | 154.3 Ų | 154.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -60.6 | 124.2 | 167 | 177.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 403 | R | 31.4 | Very low | 32.9 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | trans | -90.7 | 138.9 | 161.4 | -173.3 | 178.5 | 178.9 | 98.5 | -1.8 | 107.4 | R401 D405 | R401-R403 PolarHBondContact O-N 3.42Å; R403-D405 VanDerWaalsContact C-N 3.25Å; R403-D405 WeakPolarHBondContact CD-OD2 3.37Å; R403-D405 PolarHBondContact O-N 2.98Å | ||
| 404 | L | 30.7 | Very low | 33.1 | Very low | 169 Ų | 169 | 156 Ų | 156 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -79 | 72.8 | -178.2 | -76.7 | 168.4 | 0 | 0 | 0 | 111.3 | ||||
| 405 | D | 33.2 | Very low | 33.4 | Very low | 109 Ų | 109 | 156.9 Ų | 156.9 | 58% | 0.583 | 78% | 0.78 | S | S | * | * | trans | -92.6 | 139.7 | 166.4 | -61.6 | -56.7 | 0 | 0 | 0 | 109.1 | R403 T407 | R403-D405 VanDerWaalsContact C-N 3.25Å; R403-D405 WeakPolarHBondContact CD-OD2 3.37Å; R403-D405 PolarHBondContact O-N 2.98Å; D405-T407 VanDerWaalsContact C-N 3.3Å; D405-T407 PolarHBondContact O-N 3.34Å | ||
| 406 | S | 32.1 | Very low | 33.6 | Very low | 99 Ų | 99 | 155.1 Ų | 155.1 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -81.6 | 45 | -151.1 | -48 | 0 | 0 | 0 | 0 | 116.8 | ||
| 407 | T | 35.8 | Very low | 33.9 | Very low | 129 Ų | 129 | 162 Ų | 162 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -130.3 | 60.4 | -177.7 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | D405 | D405-T407 VanDerWaalsContact C-N 3.3Å; D405-T407 PolarHBondContact O-N 3.34Å | ||
| 408 | S | 30 | Very low | 34.2 | Very low | 101 Ų | 101 | 155.2 Ų | 155.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -156.4 | 52.4 | 172.2 | -158.3 | 0 | 0 | 0 | 0 | 113.3 | R410 | S408-R410 PolarHBondContact O-N 3.19Š| ||
| 409 | L | 34.8 | Very low | 34.2 | Very low | 141 Ų | 141 | 153 Ų | 153 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | -84.9 | 92.9 | 155.1 | -84.8 | 171.7 | 0 | 0 | 0 | 107.6 | L411 | L409-L411 PolarHBondContact O-N 3.03Š| ||
| 410 | R | 32.8 | Very low | 34.9 | Very low | 206 Ų | 206 | 154.5 Ų | 154.5 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | -69.7 | 107.1 | 164.5 | -74.4 | -178.6 | 170.4 | -175.7 | -6.6 | 107.9 | S408 | S408-R410 PolarHBondContact O-N 3.19Š| ||
| 411 | L | 36.3 | Very low | 35.1 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -66.8 | 141.8 | 157.5 | -65.1 | 173 | 0 | 0 | 0 | 107.9 | L409 | L409-L411 PolarHBondContact O-N 3.03Š| ||
| 412 | S | 34.6 | Very low | 35.3 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | -70 | 135.4 | -176.2 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | E414 | S412-E414 VanDerWaalsContact C-N 3.28Å; S412-E414 PolarHBondContact O-N 3.48Å | ||
| 413 | N | 32.3 | Very low | 35.7 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -69.9 | 81.6 | 170.3 | -70.9 | 76.9 | 0 | 0 | 0 | 110.4 | D416 | N413-D416 PolarHBondContact ND2-OD2 3.01Š|
| 414 | E | 39.6 | Very low | 35.8 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | trans | -130.1 | 8.9 | -178.1 | -133.8 | 160.1 | -159.5 | 0 | 0 | 113.1 | S412 | S412-E414 VanDerWaalsContact C-N 3.28Å; S412-E414 PolarHBondContact O-N 3.48Å | ||
| 415 | F | 40.3 | Very low | 36.2 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -127.3 | -4.6 | 177.5 | -75.3 | -86.3 | 0 | 0 | 0 | 114.6 | Y417 | F415-Y417 PolarHBondContact O-N 2.96Š|
| 416 | D | 37.6 | Very low | 36.3 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 28.4 | -173.7 | -62.8 | -37.7 | 0 | 0 | 0 | 114.6 | N413 | N413-D416 PolarHBondContact ND2-OD2 3.01Š|
| 417 | Y | 37.3 | Very low | 36.4 | Very low | 231 Ų | 231 | 145.3 Ų | 145.3 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.1 | 5.7 | -179.2 | -90.5 | -71.6 | 0 | 0 | 0 | 114.8 | F415 | F415-Y417 PolarHBondContact O-N 2.96Š|
| 418 | T | 39.2 | Very low | 36.4 | Very low | 81 Ų | 81 | 141.6 Ų | 141.6 | 50% | 0.497 | 74% | 0.737 | S | S | . | * | trans | -82.5 | 115 | 171.7 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | W420 | T418-W420 HydrophobicContact CG2-CD2 4.15Å; T418-W420 HydrophobicContact CG2-CG 4.38Å; T418-W420 HydrophobicContact CG2-CZ2 4.08Å; T418-W420 PolarHBondContact O-N 2.89Å; T418-W420 VanDerWaalsContact O-N 3.14Å | ||
| 419 | D | 36.9 | Very low | 36.6 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | trans | -80.1 | 90.6 | 176 | -167.5 | -9.6 | 0 | 0 | 0 | 110.4 | A421 | D419-A421 PolarHBondContact O-N 2.89Å; D419-A421 VanDerWaalsContact O-N 3.08Å; D419-A421 WeakPolarHBondContact OD1-CB 3.31Å; D419-A421 PolarHBondContact OD1-N 3.13Å | ||
| 420 | W | 44 | Very low | 36.6 | Very low | 224 Ų | 224 | 142.8 Ų | 142.8 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 7.9 | -178.9 | -65.5 | 93.8 | 0 | 0 | 0 | 114.2 | T418 | T418-W420 HydrophobicContact CG2-CD2 4.15Å; T418-W420 HydrophobicContact CG2-CG 4.38Å; T418-W420 HydrophobicContact CG2-CZ2 4.08Å; T418-W420 PolarHBondContact O-N 2.89Å; T418-W420 VanDerWaalsContact O-N 3.14Å |
| 421 | A | 37.8 | Very low | 37 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -3.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | D419 | D419-A421 PolarHBondContact O-N 2.89Å; D419-A421 VanDerWaalsContact O-N 3.08Å; D419-A421 WeakPolarHBondContact OD1-CB 3.31Å; D419-A421 PolarHBondContact OD1-N 3.13Å |
| 422 | A | 34.9 | Very low | 36.8 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 55% | 0.554 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -142.3 | 90.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 423 | D | 37.5 | Very low | 37 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -176 | 143.4 | 132.5 | -97.2 | -21.3 | 0 | 0 | 0 | 110.2 | I425 | D423-I425 PolarHBondContact O-N 3.4Å; D423-I425 VanDerWaalsContact O-N 3.09Å | ||
| 424 | D | 34.1 | Very low | 37.3 | Very low | 168 Ų | 168 | 144 Ų | 144 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -71.7 | 98.9 | 177 | -78.8 | -54.3 | 0 | 0 | 0 | 110.7 | D426 | D424-D426 PolarHBondContact O-N 3.26Š| ||
| 425 | I | 39.5 | Very low | 37.3 | Very low | 141 Ų | 141 | 141 Ų | 141 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | -77.1 | 90.3 | 170.7 | -56.4 | -177.9 | 0 | 0 | 0 | 108.8 | D423 F427 | D423-I425 PolarHBondContact O-N 3.4Å; D423-I425 VanDerWaalsContact O-N 3.09Å; I425-F427 WeakPolarHBondContact O-CD2 3.42Å; I425-F427 PolarHBondContact O-N 2.85Å | ||
| 426 | D | 35.6 | Very low | 37.3 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -59.1 | 120.8 | 177.7 | -171.2 | 13.1 | 0 | 0 | 0 | 111.7 | D424 G428 | D424-D426 PolarHBondContact O-N 3.26Å; D426-G428 PolarHBondContact O-N 2.77Å | ||
| 427 | F | 34 | Very low | 37.6 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -80.5 | 64.9 | -177.5 | -83.8 | -90.3 | 0 | 0 | 0 | 111.5 | I425 | I425-F427 WeakPolarHBondContact O-CD2 3.42Å; I425-F427 PolarHBondContact O-N 2.85Å | ||
| 428 | G | 35.7 | Very low | 37.9 | Very low | 51 Ų | 51 | 132.3 Ų | 132.3 | 53% | 0.526 | 74% | 0.736 | S | S | . | * | trans | -60.9 | 129.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D426 C430 | D426-G428 PolarHBondContact O-N 2.77Å; G428-C430 PolarHBondContact O-N 2.81Å | ||
| 429 | P | 33.9 | Very low | 38.2 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | trans | -75.3 | 108.9 | -175.7 | 29.4 | -34.2 | 0 | 0 | 0 | 111 | ||||
| 430 | C | 34.6 | Very low | 38.4 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | trans | -126.4 | 113.4 | -178 | -157.4 | 0 | 0 | 0 | 0 | 112.1 | G428 | G428-C430 PolarHBondContact O-N 2.81Š| ||
| 431 | G | 41.2 | Very low | 38.6 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | trans | 82.4 | 77 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | E433 | G431-E433 PolarHBondContact O-N 2.89Å; G431-E433 VanDerWaalsContact O-N 3.09Å | ||
| 432 | E | 33.2 | Very low | 38.3 | Very low | 205 Ų | 205 | 131.4 Ų | 131.4 | 96% | 0.958 | 73% | 0.734 | S | S | * | * | trans | -68.8 | 96.6 | 154.6 | -69.2 | -176.7 | 157.8 | 0 | 0 | 109.4 | ||||
| 433 | E | 37.6 | Very low | 38.3 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | -125.1 | 107.8 | 153.3 | -169.9 | 161.8 | -147 | 0 | 0 | 108.4 | G431 V435 | G431-E433 PolarHBondContact O-N 2.89Å; G431-E433 VanDerWaalsContact O-N 3.09Å; E433-V435 VanDerWaalsContact C-N 3.35Å; E433-V435 PolarHBondContact O-N 2.89Å | ||
| 434 | L | 39.1 | Very low | 38.1 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -71.9 | 90.4 | 179.6 | -73.5 | 166.7 | 0 | 0 | 0 | 109 | D436 | L434-D436 PolarHBondContact O-N 2.8Š| ||
| 435 | V | 39.9 | Very low | 38 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 60% | 0.6 | 74% | 0.738 | S | S | * | * | trans | -66.9 | 86.7 | 169.4 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | E433 L437 L440 | E433-V435 VanDerWaalsContact C-N 3.35Å; E433-V435 PolarHBondContact O-N 2.89Å; V435-L437 PolarHBondContact O-N 2.91Å; V435-L440 HydrophobicContact CG1-CD1 4.01Å | ||
| 436 | D | 39 | Very low | 37.8 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 37% | 0.374 | 74% | 0.737 | S | S | . | * | trans | -55.9 | 119.6 | 173.1 | 161.8 | 43.8 | 0 | 0 | 0 | 110.4 | L434 H438 S439 | L434-D436 PolarHBondContact O-N 2.8Å; D436-H438 PolarHBondContact O-N 3.3Å; D436-H438 WeakPolarHBondContact OD1-CB 3.41Å; D436-H438 IonicContact OD1-CD2 3.34Å; D436-H438 PolarHBondContact OD1-CD2 3.47Å; D436-H438 IonicContact OD1-CG 3.73Å; D436-H438 PolarHBondContact OD1-N 2.99Å; D436-H438 WeakPolarHBondContact OD2-CB 3.37Å; D436-S439 WeakPolarHBondContact O-CB 3.32Å; D436-S439 PolarHBondContact O-N 3.04Å; D436-S439 WeakPolarHBondContact OD2-CB 3.49Å; D436-S439 PolarHBondContact OD2-N 3.31Å; D436-S439 PolarHBondContact OD2-OG 3.2Å | ||
| 437 | L | 45.4 | Very low | 37.6 | Very low | 137 Ų | 137 | 129 Ų | 129 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -21.2 | 179.1 | -98.6 | 72.8 | 0 | 0 | 0 | 112.8 | V435 V441 | V435-L437 PolarHBondContact O-N 2.91Å; L437-V441 WeakPolarHBondContact O-CG2 3.41Å |
| 438 | H | 43 | Very low | 37.8 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -31 | 174.2 | -63.2 | -75.7 | 0 | 0 | 0 | 112.2 | D436 L440 V441 | D436-H438 PolarHBondContact O-N 3.3Å; D436-H438 WeakPolarHBondContact OD1-CB 3.41Å; D436-H438 IonicContact OD1-CD2 3.34Å; D436-H438 PolarHBondContact OD1-CD2 3.47Å; D436-H438 IonicContact OD1-CG 3.73Å; D436-H438 PolarHBondContact OD1-N 2.99Å; D436-H438 WeakPolarHBondContact OD2-CB 3.37Å; H438-L440 PolarHBondContact O-N 3.14Å; H438-V441 PolarHBondContact O-N 3.37Å |
| 439 | S | 45.7 | Very low | 37.5 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -15.5 | 177.6 | -64.9 | 0 | 0 | 0 | 0 | 114 | D436 | D436-S439 WeakPolarHBondContact O-CB 3.32Å; D436-S439 PolarHBondContact O-N 3.04Å; D436-S439 WeakPolarHBondContact OD2-CB 3.49Å; D436-S439 PolarHBondContact OD2-N 3.31Å; D436-S439 PolarHBondContact OD2-OG 3.2Å |
| 440 | L | 41 | Very low | 37.7 | Very low | 138 Ų | 138 | 133 Ų | 133 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 0.4 | 172.7 | -72 | 172.7 | 0 | 0 | 0 | 114.1 | V435 H438 | V435-L440 HydrophobicContact CG1-CD1 4.01Å; H438-L440 PolarHBondContact O-N 3.14Å |
| 441 | V | 47.5 | Very low | 37.8 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 62% | 0.618 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -102.4 | -14.5 | -176.8 | 177.7 | 0 | 0 | 0 | 0 | 112.9 | L437 H438 | L437-V441 WeakPolarHBondContact O-CG2 3.41Å; H438-V441 PolarHBondContact O-N 3.37Å |
| 442 | F | 32.7 | Very low | 37.4 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | trans | -126.3 | 66.6 | -169 | -71.9 | -78.5 | 0 | 0 | 0 | 114.8 | ||||
| 443 | D | 33.1 | Very low | 37.3 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | trans | -143.2 | 64.3 | 160.7 | -152.8 | 2.3 | 0 | 0 | 0 | 113.9 | ||||
| 444 | S | 34.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -161.3 | 55.5 | 162.9 | -81.5 | 0 | 0 | 0 | 0 | 113 | ||
| 445 | S | 32.5 | Very low | 37 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | 54.9 | 132.9 | 151.4 | 62.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 446 | S | 35.4 | Very low | 36.9 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | 72.2 | 97.9 | 154.5 | 58 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 447 | D | 31.6 | Very low | 36.6 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | 51.4 | 92.3 | 122.3 | -50.4 | -27 | 0 | 0 | 0 | 120 | |||||
| 448 | I | 37 | Very low | 36.2 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -154.4 | 131.9 | 130.1 | -98.6 | 143.3 | 0 | 0 | 0 | 109 | ||||
| 449 | Q | 30.4 | Very low | 36 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -119.7 | 88.2 | -167.6 | -174.8 | -170.8 | 25.7 | 0 | 0 | 111.6 | ||||
| 450 | S | 37.4 | Very low | 35.7 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -159.2 | 109.7 | 168.4 | 63.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 451 | K | 36 | Very low | 35.7 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | 38.4 | 91.9 | 148.3 | -63.5 | -172.2 | 175.4 | -172.7 | 0 | 119.2 | ||||
| 452 | L | 32.9 | Very low | 35.2 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | 14 | 119 | 106.2 | -160.4 | 164.4 | 0 | 0 | 0 | 116.5 | E454 | L452-E454 HydrophobicContact CD2-CG 3.79Å; L452-E454 HydrophobicContact CG-CG 4.36Å | |||
| 453 | D | 31.4 | Very low | 35.7 | Very low | 128 Ų | 128 | 142 Ų | 142 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | trans | -145.6 | 119 | 153.5 | -161.9 | -32.6 | 0 | 0 | 0 | 107.9 | T455 | D453-T455 PolarHBondContact O-N 3.1Å; D453-T455 PolarHBondContact OD1-OG1 3.04Å | ||
| 454 | E | 34.5 | Very low | 36.3 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | -94.9 | 58.8 | -166.5 | -73.2 | 176.2 | 143.4 | 0 | 0 | 112.3 | L452 | L452-E454 HydrophobicContact CD2-CG 3.79Å; L452-E454 HydrophobicContact CG-CG 4.36Å | ||
| 455 | T | 36.2 | Very low | 36.9 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | trans | -135.5 | 44.6 | -166.1 | 45.6 | 0 | 0 | 0 | 0 | 115.5 | D453 | D453-T455 PolarHBondContact O-N 3.1Å; D453-T455 PolarHBondContact OD1-OG1 3.04Å | ||
| 456 | F | 38.5 | Very low | 37.6 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | trans | -135.2 | 68.4 | 174 | -90.2 | -75.7 | 0 | 0 | 0 | 115.9 | ||||
| 457 | F | 31 | Very low | 38.2 | Very low | 219 Ų | 219 | 137.8 Ų | 137.8 | 96% | 0.961 | 72% | 0.715 | S | S | * | * | trans | -81.1 | 127.1 | 145.5 | -99.5 | -100.8 | 0 | 0 | 0 | 108.7 | ||||
| 458 | D | 38.2 | Very low | 38.9 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | trans | -161.8 | 134.7 | 178.2 | -171.7 | 58.5 | 0 | 0 | 0 | 111.8 | ||||
| 459 | P | 38 | Very low | 39.4 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 69% | 0.691 | S | S | * | * | S | Bend | cis | -137 | 23.4 | -45.2 | 40.6 | -25.1 | 0 | 0 | 0 | 111.7 | Y461 | P459-Y461 PolarHBondContact O-N 3.24Š|
| 460 | A | 40.1 | Very low | 40 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -70.8 | -37 | -159.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 461 | Y | 40.1 | Very low | 40.1 | Very low | 204 Ų | 204 | 130 Ų | 130 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | trans | -154.6 | 115.2 | 174.8 | -80.1 | -82.8 | 0 | 0 | 0 | 108.5 | P459 | P459-Y461 PolarHBondContact O-N 3.24Š| ||
| 462 | D | 38.2 | Very low | 40.3 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | trans | -78 | 134.4 | 153.1 | -167.6 | -27.4 | 0 | 0 | 0 | 107.5 | S464 D465 L466 | D462-S464 PolarHBondContact O-N 3.08Å; D462-S464 WeakPolarHBondContact OD1-CB 3.5Å; D462-S464 PolarHBondContact OD1-N 2.76Å; D462-S464 PolarHBondContact OD1-OG 2.9Å; D462-D465 HydrophobicContact CB-CB 4.45Å; D462-D465 PolarHBondContact O-N 2.78Å; D462-L466 PolarHBondContact O-N 3.02Å | ||
| 463 | V | 42.6 | Very low | 41 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.6 | -28.3 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | L466 M467 | V463-L466 PolarHBondContact O-N 3.47Å; V463-M467 WeakPolarHBondContact O-CG 3.45Å; V463-M467 PolarHBondContact O-N 3.28Å |
| 464 | S | 45.2 | Very low | 41.8 | Very low | 62 Ų | 62 | 127.3 Ų | 127.3 | 43% | 0.434 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -61.7 | -42.7 | 175.1 | -43.6 | 0 | 0 | 0 | 0 | 112.3 | D462 L466 M467 H468 | D462-S464 PolarHBondContact O-N 3.08Å; D462-S464 WeakPolarHBondContact OD1-CB 3.5Å; D462-S464 PolarHBondContact OD1-N 2.76Å; D462-S464 PolarHBondContact OD1-OG 2.9Å; S464-L466 VanDerWaalsContact C-N 3.34Å; S464-L466 PolarHBondContact O-N 3.06Å; S464-M467 WeakPolarHBondContact O-CB 3.4Å; S464-M467 PolarHBondContact O-N 2.87Å; S464-H468 PolarHBondContact O-CD2 3.09Å; S464-H468 VanDerWaalsContact O-CD2 3.27Å; S464-H468 PolarHBondContact O-N 2.95Å |
| 465 | D | 48.8 | Very low | 42 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 58% | 0.578 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.3 | -36.5 | 177.3 | -92.1 | -18 | 0 | 0 | 0 | 111.9 | D462 M467 H468 H469 | D462-D465 HydrophobicContact CB-CB 4.45Å; D462-D465 PolarHBondContact O-N 2.78Å; D465-M467 VanDerWaalsContact C-N 3.33Å; D465-H468 PolarHBondContact O-N 3.01Å; D465-H469 PolarHBondContact O-N 3.02Å |
| 466 | L | 46.9 | Very low | 42.4 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.5 | -36.6 | 175 | -165 | 68 | 0 | 0 | 0 | 111.2 | D462 V463 S464 H469 F470 | D462-L466 PolarHBondContact O-N 3.02Å; V463-L466 PolarHBondContact O-N 3.47Å; S464-L466 VanDerWaalsContact C-N 3.34Å; S464-L466 PolarHBondContact O-N 3.06Å; L466-H469 PolarHBondContact O-N 3.34Å; L466-F470 WeakPolarHBondContact O-CD2 3.49Å |
| 467 | M | 47 | Very low | 42.6 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 61% | 0.611 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.1 | -36.1 | 172.6 | -73.6 | -61.1 | -60.9 | 0 | 0 | 112.8 | V463 S464 D465 H469 F470 | V463-M467 WeakPolarHBondContact O-CG 3.45Å; V463-M467 PolarHBondContact O-N 3.28Å; S464-M467 WeakPolarHBondContact O-CB 3.4Å; S464-M467 PolarHBondContact O-N 2.87Å; D465-M467 VanDerWaalsContact C-N 3.33Å; M467-H469 PolarHBondContact O-N 3.26Å; M467-F470 PolarHBondContact O-N 3.18Å |
| 468 | H | 47.1 | Very low | 43 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 54% | 0.542 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.5 | -14 | 174.6 | -80.3 | -52.5 | 0 | 0 | 0 | 114.3 | S464 D465 F470 | S464-H468 PolarHBondContact O-CD2 3.09Å; S464-H468 VanDerWaalsContact O-CD2 3.27Å; S464-H468 PolarHBondContact O-N 2.95Å; D465-H468 PolarHBondContact O-N 3.01Å; H468-F470 VanDerWaalsContact C-N 3.3Å |
| 469 | H | 48 | Very low | 43 | Very low | 138 Ų | 138 | 124 Ų | 124 | 64% | 0.639 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -15.2 | 167.4 | -90.9 | -82 | 0 | 0 | 0 | 114.2 | D465 L466 M467 | D465-H469 PolarHBondContact O-N 3.02Å; L466-H469 PolarHBondContact O-N 3.34Å; M467-H469 PolarHBondContact O-N 3.26Å |
| 470 | F | 41.2 | Very low | 43.2 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 66% | 0.662 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -112.4 | 7.5 | -178.6 | -66.2 | -79.1 | 0 | 0 | 0 | 114.6 | L466 M467 H468 M472 | L466-F470 WeakPolarHBondContact O-CD2 3.49Å; M467-F470 PolarHBondContact O-N 3.18Å; H468-F470 VanDerWaalsContact C-N 3.3Å; F470-M472 PolarHBondContact O-N 2.94Å |
| 471 | T | 39.4 | Very low | 43.1 | Very low | 53 Ų | 53 | 126.8 Ų | 126.8 | 33% | 0.325 | 65% | 0.645 | S | S | . | * | trans | -64.7 | 135.3 | 174.4 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | D473 | T471-D473 WeakPolarHBondContact CB-OD2 3.43Å; T471-D473 PolarHBondContact O-N 3.31Å; T471-D473 VanDerWaalsContact O-N 3.13Å | ||
| 472 | M | 41.4 | Very low | 43.2 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 69% | 0.685 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -68.8 | -13.7 | -168.5 | -69.5 | -70.4 | 169.6 | 0 | 0 | 113.8 | F470 K474 Y475 | F470-M472 PolarHBondContact O-N 2.94Å; M472-K474 PolarHBondContact O-N 3.21Å; M472-Y475 PolarHBondContact O-N 3.34Å |
| 473 | D | 48 | Very low | 42.9 | Very low | 126 Ų | 126 | 125 Ų | 125 | 67% | 0.674 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -60.4 | -17.8 | -175.5 | -46 | -68.9 | 0 | 0 | 0 | 114.2 | T471 Y475 | T471-D473 WeakPolarHBondContact CB-OD2 3.43Å; T471-D473 PolarHBondContact O-N 3.31Å; T471-D473 VanDerWaalsContact O-N 3.13Å; D473-Y475 PolarHBondContact O-N 3.07Å |
| 474 | K | 47 | Very low | 43.1 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 64% | 0.635 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -73.9 | -9.5 | 173.2 | -78.7 | 171.9 | -179.3 | 154.6 | 0 | 113.9 | M472 | M472-K474 PolarHBondContact O-N 3.21Š|
| 475 | Y | 40 | Very low | 43 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 57% | 0.573 | 70% | 0.695 | S | S | * | * | trans | -102.8 | 69.3 | 176.3 | -66.4 | -78.2 | 0 | 0 | 0 | 112.2 | M472 D473 S477 L478 | M472-Y475 PolarHBondContact O-N 3.34Å; D473-Y475 PolarHBondContact O-N 3.07Å; Y475-S477 PolarHBondContact O-N 3.19Å; Y475-L478 HydrophobicContact CG-CD1 4.35Å; Y475-L478 PolarHBondContact O-N 2.9Å | ||
| 476 | H | 44.2 | Very low | 42.7 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 87% | 0.866 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -9.1 | 172.4 | -89 | -54.7 | 0 | 0 | 0 | 115.1 | ||
| 477 | S | 43.1 | Very low | 42.5 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -5.7 | 174.9 | 46.8 | 0 | 0 | 0 | 0 | 114.9 | Y475 Q479 | Y475-S477 PolarHBondContact O-N 3.19Å; S477-Q479 PolarHBondContact O-N 2.93Å |
| 478 | L | 39.4 | Very low | 42.2 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | trans | -101 | 54.7 | 176.7 | -68 | 178.3 | 0 | 0 | 0 | 111.8 | Y475 L480 | Y475-L478 HydrophobicContact CG-CD1 4.35Å; Y475-L478 PolarHBondContact O-N 2.9Å; L478-L480 VanDerWaalsContact C-N 3.32Å; L478-L480 PolarHBondContact O-N 3.09Å | ||
| 479 | Q | 37.1 | Very low | 41.9 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | -74.6 | 85 | 174.2 | -166.9 | 169.7 | 39 | 0 | 0 | 110.2 | S477 A481 | S477-Q479 PolarHBondContact O-N 2.93Å; Q479-A481 PolarHBondContact O-N 2.66Å; Q479-A481 VanDerWaalsContact O-N 3.16Å | ||
| 480 | L | 43.5 | Very low | 41.5 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -55.7 | 117.3 | 171.5 | -80.1 | 166.7 | 0 | 0 | 0 | 109.8 | L478 I482 | L478-L480 VanDerWaalsContact C-N 3.32Å; L478-L480 PolarHBondContact O-N 3.09Å; L480-I482 VanDerWaalsContact C-N 3.27Å; L480-I482 PolarHBondContact O-N 2.92Å | ||
| 481 | A | 38.1 | Very low | 41.5 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -76.2 | 75.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q479 S483 | Q479-A481 PolarHBondContact O-N 2.66Å; Q479-A481 VanDerWaalsContact O-N 3.16Å; A481-S483 PolarHBondContact O-N 2.82Å; A481-S483 VanDerWaalsContact O-N 3.07Å | ||
| 482 | I | 40.6 | Very low | 41.7 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -73.4 | 95.9 | 169.5 | -55.8 | 176.4 | 0 | 0 | 0 | 108.1 | L480 | L480-I482 VanDerWaalsContact C-N 3.27Å; L480-I482 PolarHBondContact O-N 2.92Å | ||
| 483 | S | 32.6 | Very low | 41.7 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -80.4 | 144.3 | 160.5 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | A481 | A481-S483 PolarHBondContact O-N 2.82Å; A481-S483 VanDerWaalsContact O-N 3.07Å | ||
| 484 | P | 46.5 | Very low | 41.1 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 100% | 1.247 | 79% | 0.789 | S | S | * | * | trans | -67.8 | 0 | -174.9 | 29.4 | -38.1 | 0 | 0 | 0 | 114.1 |
Retrieved 484 of 484 residues in 65.1 ms
(Link to these results)