| 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 | 39.9 | Very low | 75.4 | Confident | 244 Ų | 244 | 117.6 Ų | 117.6 | 100% | 1.202 | 63% | 0.627 | S | S | * | * | 0 | 110.4 | 0 | -70.8 | -167 | 165.8 | 0 | 0 | 105.8 | E3 | M1-E3 PolarHBondContact O-N 3.31Š| |||
| 2 | S | 59.7 | Low | 75.9 | Confident | 122 Ų | 122 | 112.5 Ų | 112.5 | 85% | 0.853 | 61% | 0.613 | S | S | * | * | trans | -69 | 117.9 | 178.9 | 44.7 | 0 | 0 | 0 | 0 | 108.7 | F4 | S2-F4 PolarHBondContact O-N 2.76Š| ||
| 3 | E | 68.1 | Low | 76.5 | Confident | 192 Ų | 192 | 114.8 Ų | 114.8 | 90% | 0.897 | 61% | 0.608 | S | S | * | * | trans | -60.9 | 121.2 | 176.8 | -166.5 | 155.7 | -171.2 | 0 | 0 | 108.9 | M1 D5 | M1-E3 PolarHBondContact O-N 3.31Å; E3-D5 PolarHBondContact O-N 2.77Å; E3-D5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | F | 74 | Confident | 77 | Confident | 150 Ų | 150 | 113.2 Ų | 113.2 | 66% | 0.658 | 60% | 0.595 | S | S | * | * | trans | -71.7 | 100.8 | -180 | 179.2 | -94.5 | 0 | 0 | 0 | 108.1 | S2 P6 D9 | S2-F4 PolarHBondContact O-N 2.76Å; F4-P6 WeakPolarHBondContact O-CD 3.16Å; F4-D9 HydrophobicContact CE2-CB 4.11Å; F4-D9 HydrophobicContact CZ-CB 3.95Å | ||
| 5 | D | 83 | Confident | 77.1 | Confident | 71 Ų | 71 | 115.7 Ų | 115.7 | 38% | 0.38 | 60% | 0.602 | S | S | . | * | trans | -84.7 | 113.2 | 173 | 171.1 | 23.3 | 0 | 0 | 0 | 109.6 | E3 V7 S8 D9 | E3-D5 PolarHBondContact O-N 2.77Å; E3-D5 VanDerWaalsContact O-N 3.11Å; D5-V7 PolarHBondContact O-N 2.81Å; D5-V7 VanDerWaalsContact O-N 3.16Å; D5-V7 WeakPolarHBondContact OD1-CB 3.38Å; D5-V7 PolarHBondContact OD1-N 2.95Å; D5-S8 PolarHBondContact O-N 2.82Å; D5-S8 VanDerWaalsContact O-N 3.14Å; D5-S8 WeakPolarHBondContact OD2-CB 3.23Å; D5-S8 PolarHBondContact OD2-N 2.82Å; D5-S8 PolarHBondContact OD2-OG 2.72Å; D5-D9 PolarHBondContact O-N 2.83Å | ||
| 6 | P | 84.5 | Confident | 77.3 | Confident | 87 Ų | 87 | 118.8 Ų | 118.8 | 57% | 0.565 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -57.7 | -28.4 | 178.5 | -21.7 | 32.7 | 0 | 0 | 0 | 113.4 | F4 F10 | F4-P6 WeakPolarHBondContact O-CD 3.16Å; P6-F10 WeakPolarHBondContact O-CB 3.31Å; P6-F10 PolarHBondContact O-N 3.12Å |
| 7 | V | 81.2 | Confident | 77.2 | Confident | 87 Ų | 87 | 116.9 Ų | 116.9 | 53% | 0.527 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -74 | -44.3 | 178.7 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | D5 D9 F10 L11 | D5-V7 PolarHBondContact O-N 2.81Å; D5-V7 VanDerWaalsContact O-N 3.16Å; D5-V7 WeakPolarHBondContact OD1-CB 3.38Å; D5-V7 PolarHBondContact OD1-N 2.95Å; V7-D9 VanDerWaalsContact C-N 3.32Å; V7-D9 PolarHBondContact O-N 2.87Å; V7-F10 PolarHBondContact O-N 3.47Å; V7-L11 HydrophobicContact CG1-CD1 4.07Å; V7-L11 HydrophobicContact CG1-CG 4.45Å; V7-L11 WeakPolarHBondContact O-CB 3.36Å; V7-L11 WeakPolarHBondContact O-CG 3.25Å; V7-L11 PolarHBondContact O-N 2.63Å |
| 8 | S | 84.4 | Confident | 76.6 | Confident | 67 Ų | 67 | 116.4 Ų | 116.4 | 47% | 0.469 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.8 | -40.3 | 173.7 | -66 | 0 | 0 | 0 | 0 | 112.2 | D5 A12 | D5-S8 PolarHBondContact O-N 2.82Å; D5-S8 VanDerWaalsContact O-N 3.14Å; D5-S8 WeakPolarHBondContact OD2-CB 3.23Å; D5-S8 PolarHBondContact OD2-N 2.82Å; D5-S8 PolarHBondContact OD2-OG 2.72Å; S8-A12 VanDerWaalsContact O-CB 3.23Å; S8-A12 WeakPolarHBondContact O-CB 3.41Å; S8-A12 PolarHBondContact O-N 3.32Å |
| 9 | D | 86.7 | Confident | 75.9 | Confident | 60 Ų | 60 | 112.5 Ų | 112.5 | 32% | 0.321 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.7 | -38.7 | 174.8 | -175.9 | 69.4 | 0 | 0 | 0 | 112.2 | F4 D5 V7 R13 | F4-D9 HydrophobicContact CE2-CB 4.11Å; F4-D9 HydrophobicContact CZ-CB 3.95Å; D5-D9 PolarHBondContact O-N 2.83Å; V7-D9 VanDerWaalsContact C-N 3.32Å; V7-D9 PolarHBondContact O-N 2.87Å; D9-R13 WeakPolarHBondContact O-CB 3.16Å; D9-R13 PolarHBondContact O-N 3.45Å; D9-R13 IonicContact OD2-CZ 2.76Å; D9-R13 IonicContact OD2-NE 3.9Å; D9-R13 IonicContact OD2-NH2 2.73Å; D9-R13 PolarHBondContact OD2-NH2 3.3Å |
| 10 | F | 84.4 | Confident | 75.2 | Confident | 112 Ų | 112 | 113.2 Ų | 113.2 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.1 | -47.6 | 174.2 | 179.1 | -96.8 | 0 | 0 | 0 | 112.2 | P6 V7 R13 E14 | P6-F10 WeakPolarHBondContact O-CB 3.31Å; P6-F10 PolarHBondContact O-N 3.12Å; V7-F10 PolarHBondContact O-N 3.47Å; F10-R13 PolarHBondContact O-N 2.99Å; F10-E14 WeakPolarHBondContact CE1-OE2 3.38Å; F10-E14 WeakPolarHBondContact CZ-OE2 3.17Å; F10-E14 WeakPolarHBondContact O-CB 3.32Å; F10-E14 PolarHBondContact O-N 3.47Å |
| 11 | L | 83.3 | Confident | 74.4 | Confident | 102 Ų | 102 | 112.6 Ų | 112.6 | 53% | 0.534 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.2 | -43.5 | 178.1 | -74.6 | 171.1 | 0 | 0 | 0 | 111.8 | V7 R13 E14 Q15 | V7-L11 HydrophobicContact CG1-CD1 4.07Å; V7-L11 HydrophobicContact CG1-CG 4.45Å; V7-L11 WeakPolarHBondContact O-CB 3.36Å; V7-L11 WeakPolarHBondContact O-CG 3.25Å; V7-L11 PolarHBondContact O-N 2.63Å; L11-R13 VanDerWaalsContact C-N 3.34Å; L11-E14 PolarHBondContact O-N 3.04Å; L11-Q15 WeakPolarHBondContact O-CB 3.38Å; L11-Q15 PolarHBondContact O-N 2.97Å |
| 12 | A | 81.9 | Confident | 75.2 | Confident | 56 Ų | 56 | 103.5 Ų | 103.5 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.3 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S8 Q15 E16 | S8-A12 VanDerWaalsContact O-CB 3.23Å; S8-A12 WeakPolarHBondContact O-CB 3.41Å; S8-A12 PolarHBondContact O-N 3.32Å; A12-Q15 PolarHBondContact O-N 3.11Å; A12-E16 VanDerWaalsContact O-CB 3.25Å; A12-E16 WeakPolarHBondContact O-CB 3.47Å; A12-E16 PolarHBondContact O-N 2.67Å |
| 13 | R | 83.7 | Confident | 75.1 | Confident | 143 Ų | 143 | 102 Ų | 102 | 54% | 0.54 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.5 | -37 | 178.5 | -158 | -168.2 | -39.6 | 161.1 | 8.6 | 112.5 | D9 F10 L11 A17 | D9-R13 WeakPolarHBondContact O-CB 3.16Å; D9-R13 PolarHBondContact O-N 3.45Å; D9-R13 IonicContact OD2-CZ 2.76Å; D9-R13 IonicContact OD2-NE 3.9Å; D9-R13 IonicContact OD2-NH2 2.73Å; D9-R13 PolarHBondContact OD2-NH2 3.3Å; F10-R13 PolarHBondContact O-N 2.99Å; L11-R13 VanDerWaalsContact C-N 3.34Å; R13-A17 WeakPolarHBondContact O-CB 3.45Å; R13-A17 PolarHBondContact O-N 2.89Å |
| 14 | E | 83.3 | Confident | 74.4 | Confident | 92 Ų | 92 | 99.2 Ų | 99.2 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.2 | -35.7 | 176.4 | -170.4 | 150.6 | -172.7 | 0 | 0 | 111.8 | F10 L11 A17 L18 | F10-E14 WeakPolarHBondContact CE1-OE2 3.38Å; F10-E14 WeakPolarHBondContact CZ-OE2 3.17Å; F10-E14 WeakPolarHBondContact O-CB 3.32Å; F10-E14 PolarHBondContact O-N 3.47Å; L11-E14 PolarHBondContact O-N 3.04Å; E14-A17 PolarHBondContact O-N 3.36Å; E14-L18 HydrophobicContact CG-CD1 3.89Å; E14-L18 WeakPolarHBondContact O-CB 3.21Å; E14-L18 PolarHBondContact O-N 2.94Å |
| 15 | Q | 78.3 | Confident | 73.3 | Confident | 151 Ų | 151 | 100.2 Ų | 100.2 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.8 | -35.1 | 173.5 | -167.4 | 168.6 | -8.7 | 0 | 0 | 112.3 | L11 A12 G19 | L11-Q15 WeakPolarHBondContact O-CB 3.38Å; L11-Q15 PolarHBondContact O-N 2.97Å; A12-Q15 PolarHBondContact O-N 3.11Å; Q15-G19 PolarHBondContact O-N 3.46Å; Q15-G19 VanDerWaalsContact O-N 3.15Å |
| 16 | E | 80.1 | Confident | 71.8 | Confident | 164 Ų | 164 | 102.7 Ų | 102.7 | 77% | 0.766 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.7 | -38.8 | 170.9 | -175.4 | 174.4 | -164.3 | 0 | 0 | 111.6 | A12 | A12-E16 VanDerWaalsContact O-CB 3.25Å; A12-E16 WeakPolarHBondContact O-CB 3.47Å; A12-E16 PolarHBondContact O-N 2.67Å |
| 17 | A | 76.4 | Confident | 69.8 | Low | 87 Ų | 87 | 106.3 Ų | 106.3 | 72% | 0.719 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.6 | -34.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R13 E14 | R13-A17 WeakPolarHBondContact O-CB 3.45Å; R13-A17 PolarHBondContact O-N 2.89Å; E14-A17 PolarHBondContact O-N 3.36Å |
| 18 | L | 66.8 | Low | 67.9 | Low | 109 Ų | 109 | 107.6 Ų | 107.6 | 57% | 0.571 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -84.1 | -13.4 | 179.2 | -81.1 | 162.7 | 0 | 0 | 0 | 113.5 | E14 L21 | E14-L18 HydrophobicContact CG-CD1 3.89Å; E14-L18 WeakPolarHBondContact O-CB 3.21Å; E14-L18 PolarHBondContact O-N 2.94Å; L18-L21 WeakPolarHBondContact O-CD1 3.47Å |
| 19 | G | 63.2 | Low | 66 | Low | 42 Ų | 42 | 113.7 Ų | 113.7 | 43% | 0.433 | 60% | 0.599 | S | S | . | * | trans | 61.4 | 166.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q15 L21 | Q15-G19 PolarHBondContact O-N 3.46Å; Q15-G19 VanDerWaalsContact O-N 3.15Å; G19-L21 PolarHBondContact O-N 2.83Å | ||
| 20 | D | 62.1 | Low | 63.7 | Low | 126 Ų | 126 | 116.5 Ų | 116.5 | 67% | 0.674 | 61% | 0.614 | S | S | * | * | trans | -78 | 64.5 | 175.2 | -169.7 | 18.6 | 0 | 0 | 0 | 110.8 | G22 D23 | D20-G22 PolarHBondContact O-N 2.91Å; D20-D23 PolarHBondContact O-N 3.25Å | ||
| 21 | L | 56.7 | Low | 61.5 | Low | 100 Ų | 100 | 118 Ų | 118 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.9 | -0.2 | 170.5 | -85.7 | 161 | 0 | 0 | 0 | 112.4 | L18 G19 | L18-L21 WeakPolarHBondContact O-CD1 3.47Å; G19-L21 PolarHBondContact O-N 2.83Å |
| 22 | G | 57.6 | Low | 59.3 | Low | 54 Ų | 54 | 116.9 Ų | 116.9 | 56% | 0.557 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -28.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | D20 | D20-G22 PolarHBondContact O-N 2.91Š|
| 23 | D | 56.9 | Low | 57.2 | Low | 89 Ų | 89 | 119.6 Ų | 119.6 | 48% | 0.476 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.8 | -24.4 | -179.5 | -133.4 | 51.5 | 0 | 0 | 0 | 112.4 | D20 F25 K26 | D20-D23 PolarHBondContact O-N 3.25Å; D23-F25 VanDerWaalsContact C-N 3.34Å; D23-K26 WeakPolarHBondContact O-CG 3.39Å; D23-K26 PolarHBondContact O-N 2.99Å; D23-K26 WeakPolarHBondContact OD1-CE 2.91Å; D23-K26 IonicContact OD1-NZ 2.85Å; D23-K26 PolarHBondContact OD1-NZ 3.46Å; D23-K26 VanDerWaalsContact OD2-CE 3.27Å; D23-K26 WeakPolarHBondContact OD2-CE 3.01Å; D23-K26 IonicContact OD2-NZ 3.99Å |
| 24 | D | 54.3 | Low | 55.2 | Low | 134 Ų | 134 | 122.9 Ų | 122.9 | 72% | 0.717 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -13.5 | 176.2 | -76.3 | -28.6 | 0 | 0 | 0 | 113.6 | ||
| 25 | F | 50.6 | Low | 53.2 | Low | 171 Ų | 171 | 122.3 Ų | 122.3 | 75% | 0.75 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 26.3 | 166.9 | -81.2 | -78.6 | 0 | 0 | 0 | 112.7 | D23 L27 | D23-F25 VanDerWaalsContact C-N 3.34Å; F25-L27 PolarHBondContact O-N 3Å |
| 26 | K | 50.8 | Low | 51.7 | Low | 123 Ų | 123 | 123.3 Ų | 123.3 | 54% | 0.535 | 68% | 0.678 | S | S | . | * | trans | -62.1 | 90.1 | 151.6 | -71.2 | -170.2 | -141.1 | -128 | 0 | 107.6 | D23 N28 | D23-K26 WeakPolarHBondContact O-CG 3.39Å; D23-K26 PolarHBondContact O-N 2.99Å; D23-K26 WeakPolarHBondContact OD1-CE 2.91Å; D23-K26 IonicContact OD1-NZ 2.85Å; D23-K26 PolarHBondContact OD1-NZ 3.46Å; D23-K26 VanDerWaalsContact OD2-CE 3.27Å; D23-K26 WeakPolarHBondContact OD2-CE 3.01Å; D23-K26 IonicContact OD2-NZ 3.99Å; K26-N28 PolarHBondContact O-N 2.64Å | ||
| 27 | L | 43.8 | Very low | 49.8 | Very low | 163 Ų | 163 | 122.3 Ų | 122.3 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | trans | -51.4 | 92 | 143.6 | -74.1 | 173.8 | 0 | 0 | 0 | 104.8 | F25 E29 | F25-L27 PolarHBondContact O-N 3Å; L27-E29 PolarHBondContact O-N 3.14Å | ||
| 28 | N | 41.3 | Very low | 48.2 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | trans | -46.7 | 121.3 | 169.8 | -84 | -26.8 | 0 | 0 | 0 | 105.4 | K26 D30 | K26-N28 PolarHBondContact O-N 2.64Å; N28-D30 HydrophobicContact CB-CB 4.29Å; N28-D30 PolarHBondContact O-N 3.07Å | ||
| 29 | E | 43.1 | Very low | 47.1 | Very low | 196 Ų | 196 | 127.8 Ų | 127.8 | 92% | 0.916 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -65.9 | 37.1 | 166.6 | -158.4 | 175.2 | 164.5 | 0 | 0 | 110.4 | L27 | L27-E29 PolarHBondContact O-N 3.14Š|
| 30 | D | 39.8 | Very low | 45.9 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 63% | 0.631 | 72% | 0.715 | S | S | * | * | trans | -116.4 | 67.5 | 167.4 | -68.4 | -33.6 | 0 | 0 | 0 | 105.9 | N28 S32 | N28-D30 HydrophobicContact CB-CB 4.29Å; N28-D30 PolarHBondContact O-N 3.07Å; D30-S32 PolarHBondContact O-N 2.86Å | ||
| 31 | T | 37.3 | Very low | 45 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | trans | -70.8 | 55.1 | 153 | -48.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 32 | S | 37 | Very low | 44.3 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 56% | 0.559 | 73% | 0.73 | S | S | * | * | trans | -82.5 | 109.5 | 160.6 | 54 | 0 | 0 | 0 | 0 | 106.6 | D30 | D30-S32 PolarHBondContact O-N 2.86Š| ||
| 33 | T | 37.7 | Very low | 43.5 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | 64.2 | 66.2 | 148.5 | 43.4 | 0 | 0 | 0 | 0 | 117 | S35 | T33-S35 PolarHBondContact O-N 3.16Å; T33-S35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | F | 42.9 | Very low | 42.8 | Very low | 213 Ų | 213 | 146.9 Ų | 146.9 | 93% | 0.934 | 76% | 0.763 | S | S | * | * | trans | -75.3 | 87.7 | 136.5 | -92.9 | -84.8 | 0 | 0 | 0 | 107.4 | L36 | F34-L36 PolarHBondContact O-N 2.97Š| ||
| 35 | S | 41.2 | Very low | 42 | Very low | 80 Ų | 80 | 145.2 Ų | 145.2 | 56% | 0.559 | 76% | 0.762 | S | S | * | * | trans | -65.1 | 90.7 | 175.7 | -66.1 | 0 | 0 | 0 | 0 | 110.5 | T33 N37 | T33-S35 PolarHBondContact O-N 3.16Å; T33-S35 VanDerWaalsContact O-N 3.15Å; S35-N37 PolarHBondContact O-N 3.39Å | ||
| 36 | L | 46.5 | Very low | 41.4 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | trans | -73.7 | 55.4 | 156.1 | -70.8 | 172.2 | 0 | 0 | 0 | 109.7 | F34 | F34-L36 PolarHBondContact O-N 2.97Š| ||
| 37 | N | 40.5 | Very low | 41.1 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -114.1 | 50.8 | 176.7 | -70.2 | -22.9 | 0 | 0 | 0 | 109.2 | S35 | S35-N37 PolarHBondContact O-N 3.39Š| ||
| 38 | N | 42.5 | Very low | 41 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -156.4 | 52.7 | 171.9 | -143.8 | 11.3 | 0 | 0 | 0 | 113 | ||||
| 39 | L | 44 | Very low | 41.3 | Very low | 157 Ų | 157 | 143 Ų | 143 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -125.1 | 58.8 | 164.6 | -163.4 | 68.1 | 0 | 0 | 0 | 109.8 | ||||
| 40 | D | 36.5 | Very low | 41.4 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -91.6 | 94.3 | 154.3 | -82.7 | -42.9 | 0 | 0 | 0 | 106.8 | ||||
| 41 | T | 43.5 | Very low | 41.6 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -131.8 | 89 | 166 | -56.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 42 | E | 43.5 | Very low | 42.1 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | 34.5 | 89.9 | 140.5 | -147 | 176.6 | 140.9 | 0 | 0 | 116.6 | R44 | E42-R44 PolarHBondContact O-N 2.94Å; E42-R44 VanDerWaalsContact O-N 3.07Å | ||
| 43 | V | 39.2 | Very low | 43 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -66.7 | 101 | 165.3 | 173.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 44 | R | 42.2 | Very low | 44 | Very low | 215 Ų | 215 | 142 Ų | 142 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -109.3 | 100.5 | 163.9 | -174.2 | 170.4 | 170.5 | -178.3 | -5 | 109.7 | E42 | E42-R44 PolarHBondContact O-N 2.94Å; E42-R44 VanDerWaalsContact O-N 3.07Å | ||
| 45 | S | 38.2 | Very low | 44.9 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 24.5 | 108.4 | 152.2 | 63 | 0 | 0 | 0 | 0 | 118.9 | ||
| 46 | G | 38.1 | Very low | 45.7 | Very low | 75 Ų | 75 | 143 Ų | 143 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 102.2 | 94.3 | 141.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 47 | E | 43.4 | Very low | 45.9 | Very low | 184 Ų | 184 | 142.7 Ų | 142.7 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 175.5 | 145.2 | 132.5 | -99.3 | 177.8 | 155.3 | 0 | 0 | 110.6 | V49 | E47-V49 PolarHBondContact O-N 2.89Š| ||
| 48 | P | 42.4 | Very low | 46.4 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -87.7 | 101.2 | -178.7 | 33.8 | -27.9 | 0 | 0 | 0 | 109.8 | S50 | P48-S50 PolarHBondContact O-N 3.41Å; P48-S50 VanDerWaalsContact O-N 3.15Å | ||
| 49 | V | 48.2 | Very low | 46.5 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -78.6 | 99.4 | 168.6 | -81.5 | 0 | 0 | 0 | 0 | 109.6 | E47 | E47-V49 PolarHBondContact O-N 2.89Š| ||
| 50 | S | 45.8 | Very low | 46 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -60.6 | 146 | 159.4 | -80.2 | 0 | 0 | 0 | 0 | 110.6 | P48 | P48-S50 PolarHBondContact O-N 3.41Å; P48-S50 VanDerWaalsContact O-N 3.15Å | ||
| 51 | D | 43.9 | Very low | 46.3 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | trans | 72.1 | 77.8 | 160.3 | -151.7 | 44.6 | 0 | 0 | 0 | 116.7 | S53 | D51-S53 PolarHBondContact O-N 2.85Å; D51-S53 VanDerWaalsContact OD2-CB 3.28Å; D51-S53 WeakPolarHBondContact OD2-CB 3.11Å; D51-S53 PolarHBondContact OD2-OG 3.31Å | ||
| 52 | A | 47.1 | Very low | 46 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -73.4 | 72.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 53 | S | 54.9 | Low | 46.1 | Very low | 79 Ų | 79 | 140 Ų | 140 | 55% | 0.552 | 80% | 0.797 | S | S | * | * | trans | -81.4 | 115.4 | 168.3 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | D51 V55 | D51-S53 PolarHBondContact O-N 2.85Å; D51-S53 VanDerWaalsContact OD2-CB 3.28Å; D51-S53 WeakPolarHBondContact OD2-CB 3.11Å; D51-S53 PolarHBondContact OD2-OG 3.31Å; S53-V55 PolarHBondContact O-N 2.84Å | ||
| 54 | Y | 58.8 | Low | 46.2 | Very low | 207 Ų | 207 | 140.5 Ų | 140.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -68.5 | 119.4 | 171 | -81.3 | -97.7 | 0 | 0 | 0 | 109.1 | F56 | Y54-F56 PolarHBondContact O-N 3.08Š| ||
| 55 | V | 62.2 | Low | 46 | Very low | 125 Ų | 125 | 137 Ų | 137 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | -77.3 | 105.5 | 166.1 | -79.4 | 0 | 0 | 0 | 0 | 109.1 | S53 L57 | S53-V55 PolarHBondContact O-N 2.84Å; V55-L57 PolarHBondContact O-N 3.32Å | ||
| 56 | F | 57.7 | Low | 45.9 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -73.2 | 104.8 | 165.3 | -81.7 | -87 | 0 | 0 | 0 | 108.7 | Y54 N58 | Y54-F56 PolarHBondContact O-N 3.08Å; F56-N58 PolarHBondContact O-N 3.13Å | ||
| 57 | L | 51 | Low | 46.1 | Very low | 166 Ų | 166 | 141 Ų | 141 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -72.6 | 76.2 | 159.5 | -86 | 95.2 | 0 | 0 | 0 | 108.4 | V55 | V55-L57 PolarHBondContact O-N 3.32Š| ||
| 58 | N | 50.7 | Low | 46.1 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -105.4 | 116.1 | 158.4 | -135.5 | 54 | 0 | 0 | 0 | 107.8 | F56 | F56-N58 PolarHBondContact O-N 3.13Š| ||
| 59 | G | 44.4 | Very low | 45.7 | Very low | 63 Ų | 63 | 140.2 Ų | 140.2 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | -64.4 | 152.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 60 | Q | 35.1 | Very low | 45.4 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | 58.8 | 105.7 | 150.1 | -72.7 | 174.6 | -12.5 | 0 | 0 | 117.1 | ||||
| 61 | S | 41.4 | Very low | 44.8 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | 168.5 | 91.4 | 89.1 | -154.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 62 | T | 38.3 | Very low | 44.8 | Very low | 136 Ų | 136 | 143 Ų | 143 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -131.7 | 81.8 | 164 | 57.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 63 | M | 45.8 | Very low | 44.6 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -105 | 78.1 | 164.4 | -63.8 | -85.7 | -148.4 | 0 | 0 | 107 | ||||
| 64 | N | 39.8 | Very low | 44.1 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -94 | 91.2 | 156.6 | -77.8 | -7.9 | 0 | 0 | 0 | 106.6 | ||||
| 65 | D | 38.4 | Very low | 43.6 | Very low | 141 Ų | 141 | 144 Ų | 144 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -170.4 | 103.5 | 150.3 | -126.1 | -23.1 | 0 | 0 | 0 | 106.7 | ||||
| 66 | S | 37.2 | Very low | 42.6 | Very low | 84 Ų | 84 | 144.3 Ų | 144.3 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | 50.2 | 124.4 | 105.9 | 95 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 67 | H | 41.9 | Very low | 42.1 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | 74 | 68.1 | 166.5 | -61.3 | -77.6 | 0 | 0 | 0 | 118.9 | ||||
| 68 | F | 42.3 | Very low | 41.9 | Very low | 211 Ų | 211 | 142.1 Ų | 142.1 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | trans | -119.6 | 79.8 | 141.1 | -105.5 | -89.8 | 0 | 0 | 0 | 109.9 | H70 | F68-H70 VanDerWaalsContact C-N 3.31Å; F68-H70 PolarHBondContact O-N 3.32Å; F68-H70 VanDerWaalsContact O-N 3.1Å | ||
| 69 | G | 33.7 | Very low | 41.6 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -72.4 | 88.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 70 | H | 43.4 | Very low | 42 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | trans | -95.3 | 110 | 164.2 | -175.1 | -93.8 | 0 | 0 | 0 | 108 | F68 L72 | F68-H70 VanDerWaalsContact C-N 3.31Å; F68-H70 PolarHBondContact O-N 3.32Å; F68-H70 VanDerWaalsContact O-N 3.1Å; H70-L72 PolarHBondContact O-N 2.81Å | ||
| 71 | N | 33.4 | Very low | 42.4 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -50.5 | 97 | 172.1 | -67.5 | -77.7 | 0 | 0 | 0 | 110.4 | ||||
| 72 | L | 43.8 | Very low | 42.7 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -93.2 | 88.8 | 153.4 | -78.6 | 157.6 | 0 | 0 | 0 | 105.1 | H70 E74 | H70-L72 PolarHBondContact O-N 2.81Å; L72-E74 PolarHBondContact O-N 3.23Å | ||
| 73 | T | 41.9 | Very low | 43.2 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -47.9 | 110.7 | 160.7 | -56.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 74 | E | 44.5 | Very low | 43.4 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -32.6 | 125.3 | 166.9 | -169.4 | 171.5 | -172.1 | 0 | 0 | 109.8 | L72 D76 | L72-E74 PolarHBondContact O-N 3.23Å; E74-D76 VanDerWaalsContact C-N 3.26Å; E74-D76 PolarHBondContact O-N 2.81Å | ||
| 75 | P | 49.2 | Very low | 43.6 | Very low | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | trans | -66.2 | 102.5 | 165.2 | 28.1 | -26.5 | 0 | 0 | 0 | 104.8 | C77 | P75-C77 PolarHBondContact O-N 3.41Š| ||
| 76 | D | 39.8 | Very low | 44.1 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | -59.1 | 86.2 | 172 | -168.8 | 8.9 | 0 | 0 | 0 | 107.2 | E74 R78 | E74-D76 VanDerWaalsContact C-N 3.26Å; E74-D76 PolarHBondContact O-N 2.81Å; D76-R78 PolarHBondContact O-N 3.04Å | ||
| 77 | C | 48.3 | Very low | 44.6 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -75.4 | 70.3 | 174.5 | 50.9 | 0 | 0 | 0 | 0 | 107.2 | P75 A79 | P75-C77 PolarHBondContact O-N 3.41Å; C77-A79 PolarHBondContact O-N 3.1Å | ||
| 78 | R | 46.6 | Very low | 44.8 | Very low | 193 Ų | 193 | 135 Ų | 135 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | trans | -52.3 | 103.3 | 168.3 | -102.3 | 178.7 | 65.9 | 130.2 | -1.3 | 108.2 | D76 N80 | D76-R78 PolarHBondContact O-N 3.04Å; R78-N80 PolarHBondContact O-N 2.88Å | ||
| 79 | A | 44.3 | Very low | 45.1 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | trans | -58.8 | 87.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | C77 N81 | C77-A79 PolarHBondContact O-N 3.1Å; A79-N81 VanDerWaalsContact C-N 3.34Å; A79-N81 PolarHBondContact O-N 3.15Å; A79-N81 VanDerWaalsContact O-N 3.12Å | ||
| 80 | N | 53.4 | Low | 45.8 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -72.5 | 100.3 | 158.1 | -84.7 | -19.9 | 0 | 0 | 0 | 106.4 | R78 S82 | R78-N80 PolarHBondContact O-N 2.88Å; N80-S82 PolarHBondContact O-N 3.31Å | ||
| 81 | N | 43.2 | Very low | 45.8 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | -50 | 86.6 | 164 | -74.2 | -35.2 | 0 | 0 | 0 | 110 | A79 | A79-N81 VanDerWaalsContact C-N 3.34Å; A79-N81 PolarHBondContact O-N 3.15Å; A79-N81 VanDerWaalsContact O-N 3.12Å | ||
| 82 | S | 48 | Very low | 46.4 | Very low | 82 Ų | 82 | 128.5 Ų | 128.5 | 57% | 0.573 | 72% | 0.716 | S | S | * | * | trans | -115.1 | 102.4 | 155.1 | -170.5 | 0 | 0 | 0 | 0 | 105.2 | N80 H84 | N80-S82 PolarHBondContact O-N 3.31Å; S82-H84 PolarHBondContact O-N 2.99Å; S82-H84 PolarHBondContact OG-CD2 3.45Å; S82-H84 VanDerWaalsContact OG-CD2 3.31Å | ||
| 83 | V | 49.3 | Very low | 47 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 90% | 0.897 | 71% | 0.713 | S | S | * | * | trans | -57.9 | 79.4 | 170.8 | -93.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 84 | H | 49.5 | Very low | 47.6 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -117.2 | 78.4 | 162.9 | -80.4 | -60 | 0 | 0 | 0 | 107 | S82 F86 | S82-H84 PolarHBondContact O-N 2.99Å; S82-H84 PolarHBondContact OG-CD2 3.45Å; S82-H84 VanDerWaalsContact OG-CD2 3.31Å; H84-F86 VanDerWaalsContact C-N 3.31Å; H84-F86 PolarHBondContact O-N 2.89Å | ||
| 85 | D | 43.4 | Very low | 47.9 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 57% | 0.567 | 71% | 0.709 | S | S | * | * | trans | 17.3 | 65.4 | 138.6 | -158.1 | 22.4 | 0 | 0 | 0 | 116.6 | D87 T88 | D85-D87 VanDerWaalsContact C-N 3.32Å; D85-T88 VanDerWaalsContact CG-CB 3.44Å; D85-T88 VanDerWaalsContact OD1-CB 3.31Å; D85-T88 WeakPolarHBondContact OD1-CB 3.35Å; D85-T88 PolarHBondContact OD1-OG1 2.92Å; D85-T88 WeakPolarHBondContact OD2-CB 3.44Å; D85-T88 PolarHBondContact OD2-OG1 3.13Å | ||
| 86 | F | 49.3 | Very low | 48.2 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 72% | 0.715 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -81 | -17.7 | 171.8 | 144 | -97.4 | 0 | 0 | 0 | 111.4 | H84 T88 | H84-F86 VanDerWaalsContact C-N 3.31Å; H84-F86 PolarHBondContact O-N 2.89Å; F86-T88 VanDerWaalsContact C-N 3.32Å; F86-T88 PolarHBondContact O-N 2.86Å |
| 87 | D | 48.3 | Very low | 49.1 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -17.3 | 176.6 | -90.5 | -29.3 | 0 | 0 | 0 | 113.5 | D85 | D85-D87 VanDerWaalsContact C-N 3.32Š|
| 88 | T | 45 | Very low | 50.1 | Low | 84 Ų | 84 | 114.6 Ų | 114.6 | 52% | 0.515 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90 | -6.4 | -177 | -62.5 | 0 | 0 | 0 | 0 | 114.2 | D85 F86 | D85-T88 VanDerWaalsContact CG-CB 3.44Å; D85-T88 VanDerWaalsContact OD1-CB 3.31Å; D85-T88 WeakPolarHBondContact OD1-CB 3.35Å; D85-T88 PolarHBondContact OD1-OG1 2.92Å; D85-T88 WeakPolarHBondContact OD2-CB 3.44Å; D85-T88 PolarHBondContact OD2-OG1 3.13Å; F86-T88 VanDerWaalsContact C-N 3.32Å; F86-T88 PolarHBondContact O-N 2.86Å |
| 89 | I | 48.3 | Very low | 51.2 | Low | 143 Ų | 143 | 107.9 Ų | 107.9 | 73% | 0.733 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -85.4 | -13 | 175.3 | -58.7 | 176.4 | 0 | 0 | 0 | 111.8 | S91 | I89-S91 VanDerWaalsContact C-N 3.3Å; I89-S91 PolarHBondContact O-N 3.23Å |
| 90 | V | 49.6 | Very low | 52.7 | Low | 120 Ų | 120 | 108.3 Ų | 108.3 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 54.7 | 171.9 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 91 | S | 43 | Very low | 54 | Low | 95 Ų | 95 | 104.8 Ų | 104.8 | 66% | 0.664 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.4 | 20.3 | 176.8 | -77.7 | 0 | 0 | 0 | 0 | 113.8 | I89 D93 | I89-S91 VanDerWaalsContact C-N 3.3Å; I89-S91 PolarHBondContact O-N 3.23Å; S91-D93 PolarHBondContact O-N 3.04Å |
| 92 | S | 46.4 | Very low | 56.2 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 60% | 0.601 | 60% | 0.604 | S | S | * | * | trans | -99.2 | 70.7 | 168.7 | -63 | 0 | 0 | 0 | 0 | 110.8 | S94 N95 | S92-S94 PolarHBondContact O-N 3.03Å; S92-N95 PolarHBondContact O-N 3.49Å | ||
| 93 | D | 55 | Low | 58.1 | Low | 144 Ų | 144 | 106.6 Ų | 106.6 | 77% | 0.77 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 5.2 | 177.9 | -136.9 | 1.1 | 0 | 0 | 0 | 113.8 | S91 | S91-D93 PolarHBondContact O-N 3.04Š|
| 94 | S | 54.1 | Low | 59.9 | Low | 117 Ų | 117 | 106.1 Ų | 106.1 | 82% | 0.818 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -9 | -176.7 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | S92 | S92-S94 PolarHBondContact O-N 3.03Š|
| 95 | N | 51.2 | Low | 61.8 | Low | 118 Ų | 118 | 103.7 Ų | 103.7 | 63% | 0.631 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -103.4 | 4.6 | 170.7 | -165.7 | 22.4 | 0 | 0 | 0 | 112.8 | S92 T99 | S92-N95 PolarHBondContact O-N 3.49Å; N95-T99 PolarHBondContact O-OG1 2.89Å; N95-T99 VanDerWaalsContact O-OG1 3.04Å |
| 96 | V | 55.8 | Low | 64.1 | Low | 39 Ų | 39 | 102.7 Ų | 102.7 | 24% | 0.236 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -74 | -37.8 | -171.3 | 179 | 0 | 0 | 0 | 0 | 111.3 | G98 T99 E100 | V96-G98 PolarHBondContact O-N 3.44Å; V96-T99 PolarHBondContact O-N 2.95Å; V96-T99 VanDerWaalsContact O-N 3.08Å; V96-E100 HydrophobicContact CG1-CG 3.76Å; V96-E100 WeakPolarHBondContact CG1-OE1 3.49Å; V96-E100 WeakPolarHBondContact O-CB 3.38Å; V96-E100 WeakPolarHBondContact O-CG 3.35Å; V96-E100 PolarHBondContact O-N 2.76Å |
| 97 | G | 58.5 | Low | 66 | Low | 49 Ų | 49 | 99 Ų | 99 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.4 | -33.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S101 | G97-S101 WeakPolarHBondContact O-CB 3.2Å; G97-S101 PolarHBondContact O-N 3.36Å; G97-S101 PolarHBondContact O-OG 3.09Å |
| 98 | G | 70.2 | Confident | 68.1 | Low | 50 Ų | 50 | 99.3 Ų | 99.3 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.7 | -32.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V96 S101 W102 | V96-G98 PolarHBondContact O-N 3.44Å; G98-S101 PolarHBondContact O-OG 3.43Å; G98-S101 VanDerWaalsContact O-OG 3.13Å; G98-W102 PolarHBondContact O-N 2.89Å |
| 99 | T | 68.7 | Low | 70.4 | Confident | 52 Ų | 52 | 101.5 Ų | 101.5 | 32% | 0.319 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -82.9 | -34 | -179.1 | -39.6 | 0 | 0 | 0 | 0 | 111.8 | N95 V96 R103 | N95-T99 PolarHBondContact O-OG1 2.89Å; N95-T99 VanDerWaalsContact O-OG1 3.04Å; V96-T99 PolarHBondContact O-N 2.95Å; V96-T99 VanDerWaalsContact O-N 3.08Å; T99-R103 WeakPolarHBondContact O-CG 3.16Å; T99-R103 PolarHBondContact O-N 3.47Å; T99-R103 PolarHBondContact O-NE 2.68Å |
| 100 | E | 76.1 | Confident | 72.5 | Confident | 95 Ų | 95 | 97.6 Ų | 97.6 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -49.8 | 173.1 | -75.1 | 178.2 | 166.2 | 0 | 0 | 111.8 | V96 W102 R103 E104 | V96-E100 HydrophobicContact CG1-CG 3.76Å; V96-E100 WeakPolarHBondContact CG1-OE1 3.49Å; V96-E100 WeakPolarHBondContact O-CB 3.38Å; V96-E100 WeakPolarHBondContact O-CG 3.35Å; V96-E100 PolarHBondContact O-N 2.76Å; E100-W102 VanDerWaalsContact C-N 3.28Å; E100-W102 PolarHBondContact O-N 2.84Å; E100-R103 PolarHBondContact O-N 2.88Å; E100-R103 VanDerWaalsContact O-N 3.13Å; E100-E104 WeakPolarHBondContact O-CG 3.44Å; E100-E104 PolarHBondContact O-N 3.41Å |
| 101 | S | 81.1 | Confident | 74.6 | Confident | 61 Ų | 61 | 97.7 Ų | 97.7 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -37.5 | 176.2 | 52 | 0 | 0 | 0 | 0 | 112.7 | G97 G98 E105 | G97-S101 WeakPolarHBondContact O-CB 3.2Å; G97-S101 PolarHBondContact O-N 3.36Å; G97-S101 PolarHBondContact O-OG 3.09Å; G98-S101 PolarHBondContact O-OG 3.43Å; G98-S101 VanDerWaalsContact O-OG 3.13Å; S101-E105 WeakPolarHBondContact O-CB 3.25Å; S101-E105 WeakPolarHBondContact O-CG 3.43Å; S101-E105 PolarHBondContact O-N 3.29Å |
| 102 | W | 89 | Confident | 77 | Confident | 158 Ų | 158 | 96 Ų | 96 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.6 | -41.1 | 174.4 | -177.4 | 82.8 | 0 | 0 | 0 | 113.1 | G98 E100 E105 F106 | G98-W102 PolarHBondContact O-N 2.89Å; E100-W102 VanDerWaalsContact C-N 3.28Å; E100-W102 PolarHBondContact O-N 2.84Å; W102-E105 PolarHBondContact O-N 3.02Å; W102-F106 HydrophobicContact CZ2-CD2 4.44Å; W102-F106 WeakPolarHBondContact O-CB 3.49Å; W102-F106 PolarHBondContact O-N 3.09Å |
| 103 | R | 89.3 | Confident | 79.2 | Confident | 124 Ų | 124 | 98.5 Ų | 98.5 | 47% | 0.468 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.3 | -80.5 | -176.6 | -76.4 | -99.9 | 0.7 | 111.4 | T99 E100 F106 E107 | T99-R103 WeakPolarHBondContact O-CG 3.16Å; T99-R103 PolarHBondContact O-N 3.47Å; T99-R103 PolarHBondContact O-NE 2.68Å; E100-R103 PolarHBondContact O-N 2.88Å; E100-R103 VanDerWaalsContact O-N 3.13Å; R103-F106 PolarHBondContact O-N 3.22Å; R103-E107 WeakPolarHBondContact O-CB 3.45Å; R103-E107 PolarHBondContact O-N 3.16Å |
| 104 | E | 87 | Confident | 81 | Confident | 137 Ų | 137 | 96.4 Ų | 96.4 | 64% | 0.64 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 177.9 | -71.2 | 179.8 | -177.5 | 0 | 0 | 112.2 | E100 E107 K108 | E100-E104 WeakPolarHBondContact O-CG 3.44Å; E100-E104 PolarHBondContact O-N 3.41Å; E104-E107 PolarHBondContact O-N 3Å; E104-K108 VanDerWaalsContact O-CB 3.25Å; E104-K108 WeakPolarHBondContact O-CB 3.27Å; E104-K108 PolarHBondContact O-N 2.75Å |
| 105 | E | 88.4 | Confident | 82.8 | Confident | 106 Ų | 106 | 93 Ų | 93 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.8 | -77.7 | -67.5 | 139.1 | 0 | 0 | 112.3 | S101 W102 R109 | S101-E105 WeakPolarHBondContact O-CB 3.25Å; S101-E105 WeakPolarHBondContact O-CG 3.43Å; S101-E105 PolarHBondContact O-N 3.29Å; W102-E105 PolarHBondContact O-N 3.02Å; E105-R109 WeakPolarHBondContact O-CB 2.69Å; E105-R109 PolarHBondContact O-N 3.06Å |
| 106 | F | 90.7 | Very high | 84.6 | Confident | 86 Ų | 86 | 94.1 Ų | 94.1 | 38% | 0.377 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68 | -46 | 176.4 | -174.4 | -104.8 | 0 | 0 | 0 | 111.9 | W102 R103 K108 R109 I110 | W102-F106 HydrophobicContact CZ2-CD2 4.44Å; W102-F106 WeakPolarHBondContact O-CB 3.49Å; W102-F106 PolarHBondContact O-N 3.09Å; R103-F106 PolarHBondContact O-N 3.22Å; F106-K108 VanDerWaalsContact C-N 3.32Å; F106-K108 PolarHBondContact O-N 3.41Å; F106-R109 WeakPolarHBondContact O-CB 3.42Å; F106-R109 PolarHBondContact O-N 2.99Å; F106-R109 VanDerWaalsContact O-N 3.09Å; F106-I110 HydrophobicContact CD1-CD1 3.75Å; F106-I110 HydrophobicContact CD1-CG1 4.39Å; F106-I110 HydrophobicContact CE1-CD1 3.23Å; F106-I110 HydrophobicContact CE1-CG1 4.09Å; F106-I110 HydrophobicContact CZ-CD1 3.74Å; F106-I110 HydrophobicContact CZ-CG1 4.27Å; F106-I110 PolarHBondContact O-N 3.43Å |
| 107 | E | 91.3 | Very high | 86.2 | Confident | 84 Ų | 84 | 97.9 Ų | 97.9 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 175.4 | 177.9 | 62.9 | -164.2 | 0 | 0 | 111.4 | R103 E104 R109 I110 K111 | R103-E107 WeakPolarHBondContact O-CB 3.45Å; R103-E107 PolarHBondContact O-N 3.16Å; E104-E107 PolarHBondContact O-N 3Å; E107-R109 VanDerWaalsContact C-N 3.31Å; E107-R109 PolarHBondContact O-N 3.28Å; E107-I110 PolarHBondContact O-N 3.5Å; E107-K111 HydrophobicContact CG-CD 4.45Å; E107-K111 WeakPolarHBondContact O-CB 3.46Å; E107-K111 WeakPolarHBondContact O-CG 3.41Å; E107-K111 PolarHBondContact O-N 3.06Å; E107-K111 WeakPolarHBondContact OE1-CE 3.05Å; E107-K111 IonicContact OE1-NZ 2.85Å; E107-K111 PolarHBondContact OE1-NZ 2.73Å |
| 108 | K | 92.4 | Very high | 87.7 | Confident | 137 Ų | 137 | 102.4 Ų | 102.4 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -38.6 | 174.5 | -174.3 | 179.3 | 178 | -175.2 | 0 | 111.8 | E104 F106 A112 | E104-K108 VanDerWaalsContact O-CB 3.25Å; E104-K108 WeakPolarHBondContact O-CB 3.27Å; E104-K108 PolarHBondContact O-N 2.75Å; F106-K108 VanDerWaalsContact C-N 3.32Å; F106-K108 PolarHBondContact O-N 3.41Å; K108-A112 WeakPolarHBondContact O-CB 3.49Å; K108-A112 PolarHBondContact O-N 2.86Å |
| 109 | R | 92.1 | Very high | 88.7 | Confident | 131 Ų | 131 | 106.8 Ų | 106.8 | 49% | 0.494 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.6 | -40 | 176.9 | -167.7 | -176.8 | -57.4 | 126.5 | 8.1 | 112.5 | E105 F106 E107 A112 K113 | E105-R109 WeakPolarHBondContact O-CB 2.69Å; E105-R109 PolarHBondContact O-N 3.06Å; F106-R109 WeakPolarHBondContact O-CB 3.42Å; F106-R109 PolarHBondContact O-N 2.99Å; F106-R109 VanDerWaalsContact O-N 3.09Å; E107-R109 VanDerWaalsContact C-N 3.31Å; E107-R109 PolarHBondContact O-N 3.28Å; R109-A112 PolarHBondContact O-N 3.42Å; R109-K113 PolarHBondContact O-N 2.75Å |
| 110 | I | 92.5 | Very high | 89.8 | Confident | 61 Ų | 61 | 110 Ų | 110 | 31% | 0.313 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -52.5 | 173.1 | -72.9 | 179.1 | 0 | 0 | 0 | 109.5 | F106 E107 A112 K113 D114 | F106-I110 HydrophobicContact CD1-CD1 3.75Å; F106-I110 HydrophobicContact CD1-CG1 4.39Å; F106-I110 HydrophobicContact CE1-CD1 3.23Å; F106-I110 HydrophobicContact CE1-CG1 4.09Å; F106-I110 HydrophobicContact CZ-CD1 3.74Å; F106-I110 HydrophobicContact CZ-CG1 4.27Å; F106-I110 PolarHBondContact O-N 3.43Å; E107-I110 PolarHBondContact O-N 3.5Å; I110-A112 VanDerWaalsContact C-N 3.26Å; I110-A112 PolarHBondContact O-N 2.9Å; I110-K113 PolarHBondContact O-N 3.01Å; I110-D114 WeakPolarHBondContact CG2-OD2 3.34Å; I110-D114 PolarHBondContact O-N 3.42Å |
| 111 | K | 93.6 | Very high | 90.4 | Very high | 121 Ų | 121 | 109.2 Ų | 109.2 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.3 | -38.7 | 177.7 | -77.8 | 175 | 173.7 | 134.9 | 0 | 113.5 | E107 A115 | E107-K111 HydrophobicContact CG-CD 4.45Å; E107-K111 WeakPolarHBondContact O-CB 3.46Å; E107-K111 WeakPolarHBondContact O-CG 3.41Å; E107-K111 PolarHBondContact O-N 3.06Å; E107-K111 WeakPolarHBondContact OE1-CE 3.05Å; E107-K111 IonicContact OE1-NZ 2.85Å; E107-K111 PolarHBondContact OE1-NZ 2.73Å; K111-A115 WeakPolarHBondContact O-CB 3.43Å; K111-A115 PolarHBondContact O-N 3.27Å |
| 112 | A | 93 | Very high | 90.9 | Very high | 61 Ų | 61 | 108.6 Ų | 108.6 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K108 R109 I110 E116 | K108-A112 WeakPolarHBondContact O-CB 3.49Å; K108-A112 PolarHBondContact O-N 2.86Å; R109-A112 PolarHBondContact O-N 3.42Å; I110-A112 VanDerWaalsContact C-N 3.26Å; I110-A112 PolarHBondContact O-N 2.9Å; A112-E116 PolarHBondContact O-N 2.96Å; A112-E116 VanDerWaalsContact O-N 3.09Å |
| 113 | K | 93.4 | Very high | 91.1 | Very high | 138 Ų | 138 | 106.8 Ų | 106.8 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -43.1 | 176 | -77.5 | -169.6 | 172.2 | -174.5 | 0 | 112.4 | R109 I110 A115 E116 E117 | R109-K113 PolarHBondContact O-N 2.75Å; I110-K113 PolarHBondContact O-N 3.01Å; K113-A115 VanDerWaalsContact C-N 3.29Å; K113-A115 PolarHBondContact O-N 3.26Å; K113-E116 PolarHBondContact O-N 2.87Å; K113-E116 VanDerWaalsContact O-N 3.16Å; K113-E117 PolarHBondContact O-N 3.19Å |
| 114 | D | 92.7 | Very high | 91.2 | Very high | 100 Ų | 100 | 106.3 Ų | 106.3 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 177.7 | -67.3 | -14.8 | 0 | 0 | 0 | 110.9 | I110 E116 E117 E118 | I110-D114 WeakPolarHBondContact CG2-OD2 3.34Å; I110-D114 PolarHBondContact O-N 3.42Å; D114-E116 VanDerWaalsContact C-N 3.35Å; D114-E116 PolarHBondContact O-N 3.47Å; D114-E117 PolarHBondContact O-N 2.91Å; D114-E118 WeakPolarHBondContact O-CB 3.34Å; D114-E118 PolarHBondContact O-N 3.22Å |
| 115 | A | 92.6 | Very high | 91.5 | Very high | 45 Ų | 45 | 104.9 Ų | 104.9 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.4 | -31.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K111 K113 K119 | K111-A115 WeakPolarHBondContact O-CB 3.43Å; K111-A115 PolarHBondContact O-N 3.27Å; K113-A115 VanDerWaalsContact C-N 3.29Å; K113-A115 PolarHBondContact O-N 3.26Å; A115-K119 VanDerWaalsContact O-CG 3.31Å; A115-K119 WeakPolarHBondContact O-CG 3.31Å; A115-K119 PolarHBondContact O-N 2.81Å |
| 116 | E | 88.9 | Confident | 91.7 | Very high | 141 Ų | 141 | 104.8 Ų | 104.8 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.6 | -43 | 174 | -175.1 | 170.5 | -152.9 | 0 | 0 | 111.3 | A112 K113 D114 K119 K120 | A112-E116 PolarHBondContact O-N 2.96Å; A112-E116 VanDerWaalsContact O-N 3.09Å; K113-E116 PolarHBondContact O-N 2.87Å; K113-E116 VanDerWaalsContact O-N 3.16Å; D114-E116 VanDerWaalsContact C-N 3.35Å; D114-E116 PolarHBondContact O-N 3.47Å; E116-K119 WeakPolarHBondContact O-CB 3.34Å; E116-K119 PolarHBondContact O-N 2.96Å; E116-K120 PolarHBondContact O-N 3.44Å |
| 117 | E | 88.9 | Confident | 91.9 | Very high | 118 Ų | 118 | 103.9 Ų | 103.9 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.6 | -40.8 | 176.1 | -173.3 | 59.9 | -154.8 | 0 | 0 | 111.5 | K113 D114 K119 K120 C121 | K113-E117 PolarHBondContact O-N 3.19Å; D114-E117 PolarHBondContact O-N 2.91Å; E117-K119 VanDerWaalsContact C-N 3.32Å; E117-K119 PolarHBondContact O-N 2.95Å; E117-K120 PolarHBondContact O-N 2.92Å; E117-C121 WeakPolarHBondContact O-CB 3.38Å; E117-C121 PolarHBondContact O-N 3.45Å |
| 118 | E | 90.3 | Very high | 92 | Very high | 145 Ų | 145 | 101.6 Ų | 101.6 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.6 | -41.5 | 175.1 | -174.2 | 176.3 | -159.9 | 0 | 0 | 111.6 | D114 C121 A122 | D114-E118 WeakPolarHBondContact O-CB 3.34Å; D114-E118 PolarHBondContact O-N 3.22Å; E118-C121 PolarHBondContact O-N 3.06Å; E118-A122 WeakPolarHBondContact O-CB 3.3Å; E118-A122 PolarHBondContact O-N 3.42Å |
| 119 | K | 91.6 | Very high | 92.1 | Very high | 141 Ų | 141 | 101 Ų | 101 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 174.8 | -76.2 | 175.3 | -178.6 | -179 | 0 | 111.8 | A115 E116 E117 C121 A122 E123 | A115-K119 VanDerWaalsContact O-CG 3.31Å; A115-K119 WeakPolarHBondContact O-CG 3.31Å; A115-K119 PolarHBondContact O-N 2.81Å; E116-K119 WeakPolarHBondContact O-CB 3.34Å; E116-K119 PolarHBondContact O-N 2.96Å; E117-K119 VanDerWaalsContact C-N 3.32Å; E117-K119 PolarHBondContact O-N 2.95Å; K119-C121 VanDerWaalsContact C-N 3.32Å; K119-C121 PolarHBondContact O-N 3.34Å; K119-A122 PolarHBondContact O-N 2.74Å; K119-E123 WeakPolarHBondContact O-CB 3.43Å; K119-E123 WeakPolarHBondContact O-CG 3.36Å; K119-E123 PolarHBondContact O-N 2.91Å |
| 120 | K | 90.9 | Very high | 92.3 | Very high | 120 Ų | 120 | 100 Ų | 100 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 179.1 | -171.1 | 179.9 | 179.1 | -176.1 | 0 | 111.6 | E116 E117 E123 L124 | E116-K120 PolarHBondContact O-N 3.44Å; E117-K120 PolarHBondContact O-N 2.92Å; K120-E123 PolarHBondContact O-N 2.87Å; K120-L124 HydrophobicContact CG-CD1 4.31Å; K120-L124 WeakPolarHBondContact O-CB 3.38Å; K120-L124 VanDerWaalsContact O-CG 3.3Å; K120-L124 WeakPolarHBondContact O-CG 3.48Å; K120-L124 PolarHBondContact O-N 3.36Å |
| 121 | C | 88.5 | Confident | 92.5 | Very high | 78 Ų | 78 | 103.2 Ų | 103.2 | 53% | 0.527 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 175 | -173 | 0 | 0 | 0 | 0 | 111.7 | E117 E118 K119 L124 M125 | E117-C121 WeakPolarHBondContact O-CB 3.38Å; E117-C121 PolarHBondContact O-N 3.45Å; E118-C121 PolarHBondContact O-N 3.06Å; K119-C121 VanDerWaalsContact C-N 3.32Å; K119-C121 PolarHBondContact O-N 3.34Å; C121-L124 PolarHBondContact O-N 2.88Å; C121-M125 WeakPolarHBondContact O-CB 3.49Å; C121-M125 PolarHBondContact O-N 3.28Å |
| 122 | A | 92.5 | Very high | 92.5 | Very high | 48 Ų | 48 | 102 Ų | 102 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E118 K119 M125 E126 | E118-A122 WeakPolarHBondContact O-CB 3.3Å; E118-A122 PolarHBondContact O-N 3.42Å; K119-A122 PolarHBondContact O-N 2.74Å; A122-M125 PolarHBondContact O-N 3.36Å; A122-E126 WeakPolarHBondContact O-CB 3.36Å; A122-E126 PolarHBondContact O-N 3.15Å |
| 123 | E | 92.2 | Very high | 92.6 | Very high | 121 Ų | 121 | 103.1 Ų | 103.1 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 177 | -74.1 | 173.1 | -168.9 | 0 | 0 | 112 | K119 K120 E126 T127 | K119-E123 WeakPolarHBondContact O-CB 3.43Å; K119-E123 WeakPolarHBondContact O-CG 3.36Å; K119-E123 PolarHBondContact O-N 2.91Å; K120-E123 PolarHBondContact O-N 2.87Å; E123-E126 PolarHBondContact O-N 2.93Å; E123-T127 WeakPolarHBondContact O-CB 3.26Å; E123-T127 PolarHBondContact O-N 3.06Å; E123-T127 PolarHBondContact O-OG1 2.73Å |
| 124 | L | 92.9 | Very high | 92.7 | Very high | 114 Ų | 114 | 100 Ų | 100 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 175.1 | -74.7 | 172 | 0 | 0 | 0 | 111.5 | K120 C121 T127 G128 | K120-L124 HydrophobicContact CG-CD1 4.31Å; K120-L124 WeakPolarHBondContact O-CB 3.38Å; K120-L124 VanDerWaalsContact O-CG 3.3Å; K120-L124 WeakPolarHBondContact O-CG 3.48Å; K120-L124 PolarHBondContact O-N 3.36Å; C121-L124 PolarHBondContact O-N 2.88Å; L124-T127 PolarHBondContact O-N 3.37Å; L124-G128 PolarHBondContact O-N 2.88Å |
| 125 | M | 92.9 | Very high | 92.9 | Very high | 107 Ų | 107 | 102.3 Ų | 102.3 | 53% | 0.527 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 176.5 | -174.9 | -176.1 | 57.1 | 0 | 0 | 111.7 | C121 A122 K129 | C121-M125 WeakPolarHBondContact O-CB 3.49Å; C121-M125 PolarHBondContact O-N 3.28Å; A122-M125 PolarHBondContact O-N 3.36Å; M125-K129 HydrophobicContact CG-CD 4.26Å; M125-K129 WeakPolarHBondContact O-CB 3.33Å; M125-K129 VanDerWaalsContact O-CG 3.26Å; M125-K129 WeakPolarHBondContact O-CG 3.46Å; M125-K129 PolarHBondContact O-N 3.37Å; M125-K129 PolarHBondContact SD-NZ 2.96Å; M125-K129 VanDerWaalsContact SD-NZ 3.37Å |
| 126 | E | 92.8 | Very high | 93 | Very high | 104 Ų | 104 | 105.9 Ų | 105.9 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 177.5 | -167.1 | -175.8 | 174.6 | 0 | 0 | 111.4 | A122 E123 K129 K130 | A122-E126 WeakPolarHBondContact O-CB 3.36Å; A122-E126 PolarHBondContact O-N 3.15Å; E123-E126 PolarHBondContact O-N 2.93Å; E126-K129 PolarHBondContact O-N 3.04Å; E126-K130 VanDerWaalsContact CD-NZ 3.27Å; E126-K130 HydrophobicContact CG-CD 4.42Å; E126-K130 WeakPolarHBondContact O-CG 3.4Å; E126-K130 PolarHBondContact O-N 3.32Å; E126-K130 WeakPolarHBondContact OE1-CE 3.36Å; E126-K130 IonicContact OE1-NZ 3.59Å; E126-K130 PolarHBondContact OE1-NZ 3.02Å; E126-K130 IonicContact OE2-NZ 2.67Å |
| 127 | T | 93.5 | Very high | 93.4 | Very high | 66 Ų | 66 | 104.4 Ų | 104.4 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -50.2 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | E123 L124 K129 K130 E131 | E123-T127 WeakPolarHBondContact O-CB 3.26Å; E123-T127 PolarHBondContact O-N 3.06Å; E123-T127 PolarHBondContact O-OG1 2.73Å; L124-T127 PolarHBondContact O-N 3.37Å; T127-K129 VanDerWaalsContact C-N 3.28Å; T127-K129 PolarHBondContact O-N 2.95Å; T127-K130 WeakPolarHBondContact O-CB 3.44Å; T127-K130 PolarHBondContact O-N 3.37Å; T127-E131 PolarHBondContact O-N 2.88Å |
| 128 | G | 94.3 | Very high | 93.6 | Very high | 36 Ų | 36 | 103 Ų | 103 | 37% | 0.371 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L124 L132 | L124-G128 PolarHBondContact O-N 2.88Å; G128-L132 WeakPolarHBondContact O-CB 3.28Å; G128-L132 PolarHBondContact O-N 3.12Å |
| 129 | K | 94.9 | Very high | 93.8 | Very high | 125 Ų | 125 | 101.4 Ų | 101.4 | 54% | 0.543 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 173.6 | -76.2 | 172.4 | -178.5 | 172.6 | 0 | 112.5 | M125 E126 T127 N133 | M125-K129 HydrophobicContact CG-CD 4.26Å; M125-K129 WeakPolarHBondContact O-CB 3.33Å; M125-K129 VanDerWaalsContact O-CG 3.26Å; M125-K129 WeakPolarHBondContact O-CG 3.46Å; M125-K129 PolarHBondContact O-N 3.37Å; M125-K129 PolarHBondContact SD-NZ 2.96Å; M125-K129 VanDerWaalsContact SD-NZ 3.37Å; E126-K129 PolarHBondContact O-N 3.04Å; T127-K129 VanDerWaalsContact C-N 3.28Å; T127-K129 PolarHBondContact O-N 2.95Å; K129-N133 WeakPolarHBondContact O-CB 3.14Å; K129-N133 PolarHBondContact O-N 3.35Å |
| 130 | K | 95.6 | Very high | 93.9 | Very high | 109 Ų | 109 | 100.2 Ų | 100.2 | 47% | 0.474 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -48.8 | 176.7 | -75.3 | 172.4 | -177.6 | 162.3 | 0 | 111 | E126 T127 L132 N133 D134 | E126-K130 VanDerWaalsContact CD-NZ 3.27Å; E126-K130 HydrophobicContact CG-CD 4.42Å; E126-K130 WeakPolarHBondContact O-CG 3.4Å; E126-K130 PolarHBondContact O-N 3.32Å; E126-K130 WeakPolarHBondContact OE1-CE 3.36Å; E126-K130 IonicContact OE1-NZ 3.59Å; E126-K130 PolarHBondContact OE1-NZ 3.02Å; E126-K130 IonicContact OE2-NZ 2.67Å; T127-K130 WeakPolarHBondContact O-CB 3.44Å; T127-K130 PolarHBondContact O-N 3.37Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 2.84Å; K130-N133 WeakPolarHBondContact O-CB 3.47Å; K130-N133 PolarHBondContact O-N 3.48Å; K130-N133 VanDerWaalsContact O-N 3.12Å; K130-D134 PolarHBondContact O-N 3.07Å |
| 131 | E | 95.7 | Very high | 94.1 | Very high | 130 Ų | 130 | 100.2 Ų | 100.2 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.8 | -42.7 | 177.6 | -71.8 | 179.1 | -173.9 | 0 | 0 | 112.1 | T127 N133 D134 W135 | T127-E131 PolarHBondContact O-N 2.88Å; E131-N133 PolarHBondContact O-N 3.39Å; E131-D134 PolarHBondContact O-N 2.85Å; E131-W135 WeakPolarHBondContact O-CB 3.37Å; E131-W135 PolarHBondContact O-N 3.01Å |
| 132 | L | 94.7 | Very high | 94.4 | Very high | 94 Ų | 94 | 104 Ų | 104 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 175.7 | -175.9 | 62 | 0 | 0 | 0 | 111.5 | G128 K130 D134 W135 Y136 | G128-L132 WeakPolarHBondContact O-CB 3.28Å; G128-L132 PolarHBondContact O-N 3.12Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 2.84Å; L132-D134 VanDerWaalsContact C-N 3.35Å; L132-D134 PolarHBondContact O-N 2.82Å; L132-W135 PolarHBondContact O-N 3.16Å; L132-Y136 HydrophobicContact CD1-CD2 4.02Å; L132-Y136 HydrophobicContact CD1-CE2 3.59Å; L132-Y136 HydrophobicContact CD2-CE2 4.32Å; L132-Y136 HydrophobicContact CG-CD2 3.97Å; L132-Y136 HydrophobicContact CG-CE2 3.75Å; L132-Y136 WeakPolarHBondContact O-CD2 3.17Å; L132-Y136 PolarHBondContact O-N 2.92Å |
| 133 | N | 95.1 | Very high | 94.4 | Very high | 85 Ų | 85 | 105.1 Ų | 105.1 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.4 | -168.5 | -101.8 | 0 | 0 | 0 | 111.9 | K129 K130 E131 Y136 K137 | K129-N133 WeakPolarHBondContact O-CB 3.14Å; K129-N133 PolarHBondContact O-N 3.35Å; K130-N133 WeakPolarHBondContact O-CB 3.47Å; K130-N133 PolarHBondContact O-N 3.48Å; K130-N133 VanDerWaalsContact O-N 3.12Å; E131-N133 PolarHBondContact O-N 3.39Å; N133-Y136 PolarHBondContact O-N 3.45Å; N133-K137 WeakPolarHBondContact O-CG 3.45Å; N133-K137 PolarHBondContact O-N 3.33Å; N133-K137 WeakPolarHBondContact OD1-CE 3.49Å; N133-K137 PolarHBondContact OD1-NZ 3Å |
| 134 | D | 95.5 | Very high | 94.3 | Very high | 74 Ų | 74 | 104.4 Ų | 104.4 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.2 | -35.6 | 178.8 | -70.7 | -19 | 0 | 0 | 0 | 112.1 | K130 E131 L132 K137 N138 | K130-D134 PolarHBondContact O-N 3.07Å; E131-D134 PolarHBondContact O-N 2.85Å; L132-D134 VanDerWaalsContact C-N 3.35Å; L132-D134 PolarHBondContact O-N 2.82Å; D134-K137 PolarHBondContact O-N 3.49Å; D134-K137 IonicContact OD1-NZ 3.76Å; D134-K137 PolarHBondContact OD1-NZ 3.17Å; D134-N138 WeakPolarHBondContact O-CB 3.43Å; D134-N138 VanDerWaalsContact O-CG 3.27Å; D134-N138 PolarHBondContact O-N 3.36Å; D134-N138 PolarHBondContact O-ND2 3.33Å; D134-N138 VanDerWaalsContact O-ND2 3.16Å |
| 135 | W | 96.6 | Very high | 94.3 | Very high | 147 Ų | 147 | 101.4 Ų | 101.4 | 56% | 0.557 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 170.2 | -178.2 | 87 | 0 | 0 | 0 | 111.6 | E131 L132 K137 N138 Y139 | E131-W135 WeakPolarHBondContact O-CB 3.37Å; E131-W135 PolarHBondContact O-N 3.01Å; L132-W135 PolarHBondContact O-N 3.16Å; W135-K137 PolarHBondContact O-N 3.47Å; W135-N138 PolarHBondContact O-N 2.95Å; W135-Y139 VanDerWaalsContact O-CB 3.29Å; W135-Y139 WeakPolarHBondContact O-CB 3.44Å; W135-Y139 PolarHBondContact O-N 3.07Å |
| 136 | Y | 95.6 | Very high | 94.1 | Very high | 120 Ų | 120 | 105 Ų | 105 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 176.1 | -85.1 | -68.3 | 0 | 0 | 0 | 112 | L132 N133 Y139 H140 | L132-Y136 HydrophobicContact CD1-CD2 4.02Å; L132-Y136 HydrophobicContact CD1-CE2 3.59Å; L132-Y136 HydrophobicContact CD2-CE2 4.32Å; L132-Y136 HydrophobicContact CG-CD2 3.97Å; L132-Y136 HydrophobicContact CG-CE2 3.75Å; L132-Y136 WeakPolarHBondContact O-CD2 3.17Å; L132-Y136 PolarHBondContact O-N 2.92Å; N133-Y136 PolarHBondContact O-N 3.45Å; Y136-Y139 PolarHBondContact O-N 3.38Å; Y136-H140 WeakPolarHBondContact O-CB 3.29Å; Y136-H140 PolarHBondContact O-CD2 2.84Å; Y136-H140 PolarHBondContact O-N 3.38Å |
| 137 | K | 95.6 | Very high | 93.9 | Very high | 110 Ų | 110 | 102.6 Ų | 102.6 | 48% | 0.478 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.5 | -49.7 | 175.7 | -71.3 | 176.6 | -163.9 | 140 | 0 | 111.7 | N133 D134 W135 Y139 H140 Q141 | N133-K137 WeakPolarHBondContact O-CG 3.45Å; N133-K137 PolarHBondContact O-N 3.33Å; N133-K137 WeakPolarHBondContact OD1-CE 3.49Å; N133-K137 PolarHBondContact OD1-NZ 3Å; D134-K137 PolarHBondContact O-N 3.49Å; D134-K137 IonicContact OD1-NZ 3.76Å; D134-K137 PolarHBondContact OD1-NZ 3.17Å; W135-K137 PolarHBondContact O-N 3.47Å; K137-Y139 VanDerWaalsContact C-N 3.34Å; K137-Y139 PolarHBondContact O-N 3.15Å; K137-H140 PolarHBondContact O-N 3.45Å; K137-Q141 WeakPolarHBondContact O-CB 2.94Å; K137-Q141 PolarHBondContact O-N 3Å |
| 138 | N | 94 | Very high | 93.6 | Very high | 88 Ų | 88 | 105.8 Ų | 105.8 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | -179.5 | -73.6 | -31.8 | 0 | 0 | 0 | 111.9 | D134 W135 Q141 K142 | D134-N138 WeakPolarHBondContact O-CB 3.43Å; D134-N138 VanDerWaalsContact O-CG 3.27Å; D134-N138 PolarHBondContact O-N 3.36Å; D134-N138 PolarHBondContact O-ND2 3.33Å; D134-N138 VanDerWaalsContact O-ND2 3.16Å; W135-N138 PolarHBondContact O-N 2.95Å; N138-Q141 PolarHBondContact O-N 2.95Å; N138-K142 WeakPolarHBondContact O-CB 3.34Å; N138-K142 WeakPolarHBondContact O-CG 3.42Å; N138-K142 PolarHBondContact O-N 3.25Å |
| 139 | Y | 94.5 | Very high | 93.2 | Very high | 113 Ų | 113 | 109.5 Ų | 109.5 | 44% | 0.443 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 175 | 176.8 | -107.7 | 0 | 0 | 0 | 111.5 | W135 Y136 K137 Q141 K142 L143 | W135-Y139 VanDerWaalsContact O-CB 3.29Å; W135-Y139 WeakPolarHBondContact O-CB 3.44Å; W135-Y139 PolarHBondContact O-N 3.07Å; Y136-Y139 PolarHBondContact O-N 3.38Å; K137-Y139 VanDerWaalsContact C-N 3.34Å; K137-Y139 PolarHBondContact O-N 3.15Å; Y139-Q141 PolarHBondContact O-N 3.5Å; Y139-K142 PolarHBondContact O-N 2.86Å; Y139-L143 HydrophobicContact CD1-CD1 4.02Å; Y139-L143 HydrophobicContact CE1-CD1 3.43Å; Y139-L143 VanDerWaalsContact CE1-CD1 3.43Å; Y139-L143 HydrophobicContact CE1-CG 4.28Å; Y139-L143 HydrophobicContact CE2-CD1 4.31Å; Y139-L143 HydrophobicContact CE2-CG 4.36Å; Y139-L143 PolarHBondContact O-N 2.88Å |
| 140 | H | 94.7 | Very high | 92.7 | Very high | 116 Ų | 116 | 108.3 Ų | 108.3 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.7 | -83.7 | -68.3 | 0 | 0 | 0 | 112.2 | Y136 K137 K142 L143 E144 | Y136-H140 WeakPolarHBondContact O-CB 3.29Å; Y136-H140 PolarHBondContact O-CD2 2.84Å; Y136-H140 PolarHBondContact O-N 3.38Å; K137-H140 PolarHBondContact O-N 3.45Å; H140-K142 PolarHBondContact O-N 3.47Å; H140-L143 PolarHBondContact O-N 2.9Å; H140-E144 PolarHBondContact O-N 3.29Å |
| 141 | Q | 94.5 | Very high | 92 | Very high | 119 Ų | 119 | 111 Ų | 111 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 176.1 | -174.1 | -179.2 | -4.7 | 0 | 0 | 111.7 | K137 N138 Y139 L143 E144 T145 | K137-Q141 WeakPolarHBondContact O-CB 2.94Å; K137-Q141 PolarHBondContact O-N 3Å; N138-Q141 PolarHBondContact O-N 2.95Å; Y139-Q141 PolarHBondContact O-N 3.5Å; Q141-L143 VanDerWaalsContact C-N 3.34Å; Q141-L143 PolarHBondContact O-N 3.31Å; Q141-E144 PolarHBondContact O-N 3.28Å; Q141-T145 WeakPolarHBondContact O-CB 3.35Å; Q141-T145 PolarHBondContact O-N 2.91Å; Q141-T145 PolarHBondContact O-OG1 2.85Å |
| 142 | K | 93.4 | Very high | 91.1 | Very high | 158 Ų | 158 | 110.2 Ų | 110.2 | 69% | 0.687 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.4 | -42.7 | 175.8 | -77.2 | 176.8 | 179.8 | 179 | 0 | 111.9 | N138 Y139 H140 R146 | N138-K142 WeakPolarHBondContact O-CB 3.34Å; N138-K142 WeakPolarHBondContact O-CG 3.42Å; N138-K142 PolarHBondContact O-N 3.25Å; Y139-K142 PolarHBondContact O-N 2.86Å; H140-K142 PolarHBondContact O-N 3.47Å; K142-R146 WeakPolarHBondContact O-CB 3.48Å; K142-R146 PolarHBondContact O-N 3.42Å |
| 143 | L | 92.6 | Very high | 90.1 | Very high | 72 Ų | 72 | 113 Ų | 113 | 38% | 0.377 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175 | -75.6 | 177.3 | 0 | 0 | 0 | 112 | Y139 H140 Q141 R146 S147 | Y139-L143 HydrophobicContact CD1-CD1 4.02Å; Y139-L143 HydrophobicContact CE1-CD1 3.43Å; Y139-L143 VanDerWaalsContact CE1-CD1 3.43Å; Y139-L143 HydrophobicContact CE1-CG 4.28Å; Y139-L143 HydrophobicContact CE2-CD1 4.31Å; Y139-L143 HydrophobicContact CE2-CG 4.36Å; Y139-L143 PolarHBondContact O-N 2.88Å; H140-L143 PolarHBondContact O-N 2.9Å; Q141-L143 VanDerWaalsContact C-N 3.34Å; Q141-L143 PolarHBondContact O-N 3.31Å; L143-R146 PolarHBondContact O-N 2.83Å; L143-S147 VanDerWaalsContact O-CB 3.27Å; L143-S147 WeakPolarHBondContact O-CB 3.41Å; L143-S147 PolarHBondContact O-N 3.23Å |
| 144 | E | 91.6 | Very high | 88.7 | Confident | 105 Ų | 105 | 115.2 Ų | 115.2 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 179.2 | -162.3 | -166.1 | 149.6 | 0 | 0 | 111.5 | H140 Q141 S147 R148 | H140-E144 PolarHBondContact O-N 3.29Å; Q141-E144 PolarHBondContact O-N 3.28Å; E144-S147 WeakPolarHBondContact O-CB 3.46Å; E144-S147 PolarHBondContact O-N 2.98Å; E144-R148 WeakPolarHBondContact O-CB 3.35Å; E144-R148 PolarHBondContact O-N 2.98Å; E144-R148 IonicContact OE1-CZ 2.68Å; E144-R148 IonicContact OE1-NH2 3.63Å; E144-R148 PolarHBondContact OE1-NH2 2.58Å |
| 145 | T | 91.5 | Very high | 87 | Confident | 52 Ų | 52 | 117.9 Ų | 117.9 | 32% | 0.319 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 175.4 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | Q141 S147 R148 E149 | Q141-T145 WeakPolarHBondContact O-CB 3.35Å; Q141-T145 PolarHBondContact O-N 2.91Å; Q141-T145 PolarHBondContact O-OG1 2.85Å; T145-S147 VanDerWaalsContact C-N 3.28Å; T145-S147 PolarHBondContact O-N 3.49Å; T145-R148 WeakPolarHBondContact O-CB 3.43Å; T145-R148 PolarHBondContact O-N 3.11Å; T145-R148 VanDerWaalsContact O-N 3.11Å; T145-E149 HydrophobicContact CG2-CG 4.43Å; T145-E149 WeakPolarHBondContact CG2-OE1 3.38Å; T145-E149 WeakPolarHBondContact O-CG 3.24Å; T145-E149 PolarHBondContact O-N 3.31Å |
| 146 | R | 89.2 | Confident | 85.3 | Confident | 183 Ų | 183 | 115.9 Ų | 115.9 | 69% | 0.691 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59 | -39.7 | 176.2 | -173.7 | -176.8 | -175.3 | -161.1 | 3 | 112.3 | K142 L143 L150 | K142-R146 WeakPolarHBondContact O-CB 3.48Å; K142-R146 PolarHBondContact O-N 3.42Å; L143-R146 PolarHBondContact O-N 2.83Å; R146-L150 WeakPolarHBondContact O-CB 3.27Å; R146-L150 PolarHBondContact O-N 3.49Å |
| 147 | S | 88.3 | Confident | 83.5 | Confident | 53 Ų | 53 | 114 Ų | 114 | 37% | 0.371 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 112 | L143 E144 T145 L150 R151 | L143-S147 VanDerWaalsContact O-CB 3.27Å; L143-S147 WeakPolarHBondContact O-CB 3.41Å; L143-S147 PolarHBondContact O-N 3.23Å; E144-S147 WeakPolarHBondContact O-CB 3.46Å; E144-S147 PolarHBondContact O-N 2.98Å; T145-S147 VanDerWaalsContact C-N 3.28Å; T145-S147 PolarHBondContact O-N 3.49Å; S147-L150 PolarHBondContact O-N 2.92Å; S147-R151 PolarHBondContact O-N 2.76Å; S147-R151 VanDerWaalsContact O-N 3.07Å |
| 148 | R | 87.6 | Confident | 81.5 | Confident | 132 Ų | 132 | 114.7 Ų | 114.7 | 50% | 0.498 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -49.5 | 175.4 | -170.3 | -178.7 | -59.3 | 160.6 | 3.8 | 111.3 | E144 T145 L150 R151 E152 | E144-R148 WeakPolarHBondContact O-CB 3.35Å; E144-R148 PolarHBondContact O-N 2.98Å; E144-R148 IonicContact OE1-CZ 2.68Å; E144-R148 IonicContact OE1-NH2 3.63Å; E144-R148 PolarHBondContact OE1-NH2 2.58Å; T145-R148 WeakPolarHBondContact O-CB 3.43Å; T145-R148 PolarHBondContact O-N 3.11Å; T145-R148 VanDerWaalsContact O-N 3.11Å; R148-L150 VanDerWaalsContact C-N 3.29Å; R148-L150 PolarHBondContact O-N 3.26Å; R148-R151 WeakPolarHBondContact O-CB 3.44Å; R148-R151 PolarHBondContact O-N 2.91Å; R148-R151 VanDerWaalsContact O-N 3.08Å; R148-E152 WeakPolarHBondContact O-CB 3.44Å; R148-E152 PolarHBondContact O-N 2.95Å |
| 149 | E | 85.6 | Confident | 79.5 | Confident | 114 Ų | 114 | 111.6 Ų | 111.6 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.8 | -40.9 | 175.7 | -72.2 | 171.8 | -178.4 | 0 | 0 | 111.8 | T145 R151 E152 K153 | T145-E149 HydrophobicContact CG2-CG 4.43Å; T145-E149 WeakPolarHBondContact CG2-OE1 3.38Å; T145-E149 WeakPolarHBondContact O-CG 3.24Å; T145-E149 PolarHBondContact O-N 3.31Å; E149-R151 PolarHBondContact O-N 2.99Å; E149-E152 PolarHBondContact O-N 3.03Å; E149-K153 WeakPolarHBondContact O-CB 3.48Å; E149-K153 PolarHBondContact O-N 3.41Å |
| 150 | L | 84 | Confident | 77.4 | Confident | 101 Ų | 101 | 112.2 Ų | 112.2 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67 | -36.3 | 176.8 | -175.7 | 61.5 | 0 | 0 | 0 | 112.2 | R146 S147 R148 K154 | R146-L150 WeakPolarHBondContact O-CB 3.27Å; R146-L150 PolarHBondContact O-N 3.49Å; S147-L150 PolarHBondContact O-N 2.92Å; R148-L150 VanDerWaalsContact C-N 3.29Å; R148-L150 PolarHBondContact O-N 3.26Å; L150-K154 WeakPolarHBondContact O-CB 3.25Å; L150-K154 VanDerWaalsContact O-CG 3.25Å; L150-K154 WeakPolarHBondContact O-CG 3.25Å; L150-K154 PolarHBondContact O-N 3.08Å; L150-K154 VanDerWaalsContact O-N 3.08Å |
| 151 | R | 81.1 | Confident | 75.3 | Confident | 165 Ų | 165 | 109.7 Ų | 109.7 | 62% | 0.623 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.1 | -42.4 | 173.9 | -84.7 | -170.5 | -70.6 | -129.6 | -2 | 112.1 | S147 R148 E149 K154 H155 | S147-R151 PolarHBondContact O-N 2.76Å; S147-R151 VanDerWaalsContact O-N 3.07Å; R148-R151 WeakPolarHBondContact O-CB 3.44Å; R148-R151 PolarHBondContact O-N 2.91Å; R148-R151 VanDerWaalsContact O-N 3.08Å; E149-R151 PolarHBondContact O-N 2.99Å; R151-K154 PolarHBondContact O-N 3.36Å; R151-H155 WeakPolarHBondContact O-CB 3.35Å; R151-H155 PolarHBondContact O-N 2.85Å |
| 152 | E | 76.9 | Confident | 73.3 | Confident | 114 Ų | 114 | 111.9 Ų | 111.9 | 53% | 0.533 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -49.6 | 177.2 | -173.9 | 169.4 | -164.7 | 0 | 0 | 111 | R148 E149 K154 H155 D156 | R148-E152 WeakPolarHBondContact O-CB 3.44Å; R148-E152 PolarHBondContact O-N 2.95Å; E149-E152 PolarHBondContact O-N 3.03Å; E152-K154 VanDerWaalsContact C-N 3.27Å; E152-K154 PolarHBondContact O-N 2.86Å; E152-H155 CarbonylContact O-C 3.55Å; E152-H155 WeakPolarHBondContact O-CA 3.21Å; E152-H155 WeakPolarHBondContact O-CB 3.39Å; E152-H155 PolarHBondContact O-N 2.81Å; E152-D156 PolarHBondContact O-N 3.4Å |
| 153 | K | 75.1 | Confident | 71.1 | Confident | 153 Ų | 153 | 111.5 Ų | 111.5 | 67% | 0.665 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.7 | -39.1 | 174.8 | -175.4 | 173.3 | -179 | 171.9 | 0 | 112.6 | E149 D156 S157 | E149-K153 WeakPolarHBondContact O-CB 3.48Å; E149-K153 PolarHBondContact O-N 3.41Å; K153-D156 PolarHBondContact O-N 3.08Å; K153-S157 WeakPolarHBondContact O-CB 3.5Å; K153-S157 PolarHBondContact O-N 2.85Å; K153-S157 PolarHBondContact O-OG 3.5Å; K153-S157 VanDerWaalsContact O-OG 3.06Å |
| 154 | K | 65.8 | Low | 69.1 | Low | 130 Ų | 130 | 111 Ų | 111 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -42 | 173.4 | -81.6 | -176.4 | 179 | -172.4 | 0 | 111.6 | L150 R151 E152 D156 S157 N158 | L150-K154 WeakPolarHBondContact O-CB 3.25Å; L150-K154 VanDerWaalsContact O-CG 3.25Å; L150-K154 WeakPolarHBondContact O-CG 3.25Å; L150-K154 PolarHBondContact O-N 3.08Å; L150-K154 VanDerWaalsContact O-N 3.08Å; R151-K154 PolarHBondContact O-N 3.36Å; E152-K154 VanDerWaalsContact C-N 3.27Å; E152-K154 PolarHBondContact O-N 2.86Å; K154-D156 VanDerWaalsContact C-N 3.34Å; K154-S157 PolarHBondContact O-N 3.06Å; K154-S157 PolarHBondContact O-OG 2.98Å; K154-S157 VanDerWaalsContact O-OG 3.1Å; K154-N158 WeakPolarHBondContact O-CB 3.48Å; K154-N158 PolarHBondContact O-N 3.07Å |
| 155 | H | 59.6 | Low | 66.9 | Low | 130 Ų | 130 | 112.8 Ų | 112.8 | 60% | 0.602 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.6 | -39.5 | 176.7 | -176.3 | -92.3 | 0 | 0 | 0 | 111.8 | R151 E152 G159 | R151-H155 WeakPolarHBondContact O-CB 3.35Å; R151-H155 PolarHBondContact O-N 2.85Å; E152-H155 CarbonylContact O-C 3.55Å; E152-H155 WeakPolarHBondContact O-CA 3.21Å; E152-H155 WeakPolarHBondContact O-CB 3.39Å; E152-H155 PolarHBondContact O-N 2.81Å; H155-G159 WeakPolarHBondContact O-CA 2.97Å; H155-G159 PolarHBondContact O-N 3.08Å |
| 156 | D | 60.1 | Low | 65.2 | Low | 105 Ų | 105 | 114.6 Ų | 114.6 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.4 | -39.1 | 178.4 | -62.7 | -21.4 | 0 | 0 | 0 | 112 | E152 K153 K154 | E152-D156 PolarHBondContact O-N 3.4Å; K153-D156 PolarHBondContact O-N 3.08Å; K154-D156 VanDerWaalsContact C-N 3.34Å |
| 157 | S | 58.3 | Low | 63.8 | Low | 81 Ų | 81 | 110.1 Ų | 110.1 | 57% | 0.566 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -75 | -29.5 | 178.2 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | K153 K154 | K153-S157 WeakPolarHBondContact O-CB 3.5Å; K153-S157 PolarHBondContact O-N 2.85Å; K153-S157 PolarHBondContact O-OG 3.5Å; K153-S157 VanDerWaalsContact O-OG 3.06Å; K154-S157 PolarHBondContact O-N 3.06Å; K154-S157 PolarHBondContact O-OG 2.98Å; K154-S157 VanDerWaalsContact O-OG 3.1Å |
| 158 | N | 53.2 | Low | 62.6 | Low | 124 Ų | 124 | 116.4 Ų | 116.4 | 66% | 0.663 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -127 | -11 | -165.8 | -147.6 | 60.9 | 0 | 0 | 0 | 114.3 | K154 C161 | K154-N158 WeakPolarHBondContact O-CB 3.48Å; K154-N158 PolarHBondContact O-N 3.07Å; N158-C161 VanDerWaalsContact C-SG 3.5Å; N158-C161 PolarHBondContact O-SG 3Å |
| 159 | G | 52.3 | Low | 61.4 | Low | 23 Ų | 23 | 114.5 Ų | 114.5 | 24% | 0.237 | 62% | 0.622 | C | S | . | * | S | Bend | trans | -92.8 | -16.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | H155 N163 | H155-G159 WeakPolarHBondContact O-CA 2.97Å; H155-G159 PolarHBondContact O-N 3.08Å; G159-N163 PolarHBondContact O-ND2 2.81Å |
| 160 | H | 50.5 | Low | 60.6 | Low | 127 Ų | 127 | 111.8 Ų | 111.8 | 59% | 0.588 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -95.3 | -4.1 | 179.2 | -165.7 | 65.3 | 0 | 0 | 0 | 114.2 | K179 | H160-K179 WeakPolarHBondContact CD2-CE 3.33Å; H160-K179 PolarHBondContact CD2-NZ 3.24Å; H160-K179 WeakPolarHBondContact NE2-CE 3.48Å; H160-K179 PolarHBondContact NE2-NZ 3.5Å; H160-K179 PolarHBondContact O-NZ 3.38Å |
| 161 | C | 51.1 | Low | 60.1 | Low | 63 Ų | 63 | 112 Ų | 112 | 43% | 0.426 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -93.9 | -7.1 | -170.4 | 51.5 | 0 | 0 | 0 | 0 | 115.5 | N158 | N158-C161 VanDerWaalsContact C-SG 3.5Å; N158-C161 PolarHBondContact O-SG 3Å |
| 162 | M | 51.7 | Low | 59.8 | Low | 164 Ų | 164 | 112.6 Ų | 112.6 | 81% | 0.808 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -135.7 | 1.5 | -177.7 | -65.4 | -63 | -176.6 | 0 | 0 | 115.6 | G164 | M162-G164 PolarHBondContact O-N 2.94Š|
| 163 | N | 47.8 | Very low | 59.8 | Low | 150 Ų | 150 | 110.3 Ų | 110.3 | 80% | 0.802 | 62% | 0.619 | S | S | * | * | trans | -94.9 | 69.9 | 177.6 | -64.2 | -39.6 | 0 | 0 | 0 | 110.4 | G159 | G159-N163 PolarHBondContact O-ND2 2.81Š| ||
| 164 | G | 50.6 | Low | 60.1 | Low | 63 Ų | 63 | 106.1 Ų | 106.1 | 65% | 0.649 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -153 | 100.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | M162 | M162-G164 PolarHBondContact O-N 2.94Š|
| 165 | D | 45 | Very low | 60.8 | Low | 142 Ų | 142 | 104.3 Ų | 104.3 | 76% | 0.759 | 61% | 0.606 | S | S | * | * | trans | 18.8 | 122 | 161.9 | -168.5 | 25.2 | 0 | 0 | 0 | 115.6 | S167 | D165-S167 WeakPolarHBondContact O-CA 3.28Å; D165-S167 PolarHBondContact O-N 3.18Å | ||
| 166 | G | 55.6 | Low | 61.9 | Low | 90 Ų | 90 | 100.5 Ų | 100.5 | 93% | 0.928 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -57.5 | 18.3 | -175 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 167 | S | 58.8 | Low | 63.1 | Low | 89 Ų | 89 | 98 Ų | 98 | 62% | 0.622 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -62.7 | 129.1 | 159.1 | -153.2 | 0 | 0 | 0 | 0 | 111.1 | D165 | D165-S167 WeakPolarHBondContact O-CA 3.28Å; D165-S167 PolarHBondContact O-N 3.18Å |
| 168 | K | 64.2 | Low | 64.3 | Low | 185 Ų | 185 | 98 Ų | 98 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 131.2 | 177 | -62.4 | 168.8 | -177 | 175 | 0 | 108.4 | S170 | K168-S170 PolarHBondContact O-N 3.41Š|
| 169 | P | 62.8 | Low | 65.7 | Low | 92 Ų | 92 | 95.6 Ų | 95.6 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 118 | 177.5 | -25 | 31.9 | 0 | 0 | 0 | 110.1 | V176 | P169-V176 HydrophobicContact CB-CG1 4.3Š|
| 170 | S | 68.9 | Low | 67.2 | Low | 56 Ų | 56 | 97.1 Ų | 97.1 | 39% | 0.392 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -82.5 | 153.3 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | K168 K172 D173 | K168-S170 PolarHBondContact O-N 3.41Å; S170-K172 PolarHBondContact O-N 3.49Å; S170-D173 PolarHBondContact N-OD2 3.28Å; S170-D173 WeakPolarHBondContact O-CB 3.32Å; S170-D173 PolarHBondContact O-N 3.39Å |
| 171 | V | 72.4 | Confident | 68.8 | Low | 105 Ų | 105 | 91.2 Ų | 91.2 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -22.6 | 174.2 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | L206 | V171-L206 HydrophobicContact CG1-CD2 3.83Š|
| 172 | K | 75.9 | Confident | 70.4 | Confident | 179 Ų | 179 | 93.2 Ų | 93.2 | 78% | 0.778 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.7 | 178.1 | -61.2 | -175.7 | -179.7 | -178.7 | 0 | 114.4 | S170 T174 | S170-K172 PolarHBondContact O-N 3.49Å; K172-T174 PolarHBondContact O-N 2.85Å; K172-T174 PolarHBondContact O-OG1 2.94Å |
| 173 | D | 77.3 | Confident | 71.9 | Confident | 66 Ų | 66 | 92.5 Ų | 92.5 | 35% | 0.353 | 53% | 0.53 | S | S | . | . | trans | -80.3 | 73.4 | -178.6 | -62.9 | -21.3 | 0 | 0 | 0 | 110.2 | S170 V175 V176 W177 | S170-D173 PolarHBondContact N-OD2 3.28Å; S170-D173 WeakPolarHBondContact O-CB 3.32Å; S170-D173 PolarHBondContact O-N 3.39Å; D173-V175 PolarHBondContact O-N 3Å; D173-V175 VanDerWaalsContact O-N 3.13Å; D173-V176 HydrophobicContact CB-CB 4.12Å; D173-V176 HydrophobicContact CB-CG2 3.87Å; D173-V176 WeakPolarHBondContact O-CB 3.48Å; D173-V176 PolarHBondContact O-N 3.42Å; D173-W177 VanDerWaalsContact O-CD1 3.28Å; D173-W177 PolarHBondContact O-N 3.15Å | ||
| 174 | T | 79.7 | Confident | 73.6 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -52.1 | -36.2 | -177.8 | -50.5 | 0 | 0 | 0 | 0 | 112.5 | K172 V176 W177 E178 P208 | K172-T174 PolarHBondContact O-N 2.85Å; K172-T174 PolarHBondContact O-OG1 2.94Å; T174-V176 VanDerWaalsContact C-N 3.35Å; T174-V176 PolarHBondContact O-N 3.46Å; T174-W177 PolarHBondContact O-N 2.75Å; T174-E178 PolarHBondContact O-N 3.42Å; T174-P208 HydrophobicContact CG2-CB 3.48Å; T174-P208 VanDerWaalsContact CG2-CB 3.48Å; T174-P208 HydrophobicContact CG2-CG 3.48Å; T174-P208 VanDerWaalsContact CG2-CG 3.48Å |
| 175 | V | 80.7 | Confident | 74.8 | Confident | 92 Ų | 92 | 88.3 Ų | 88.3 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.5 | -36.4 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | D173 K179 | D173-V175 PolarHBondContact O-N 3Å; D173-V175 VanDerWaalsContact O-N 3.13Å; V175-K179 WeakPolarHBondContact O-CG 3.37Å; V175-K179 PolarHBondContact O-N 3.34Å |
| 176 | V | 83.1 | Confident | 76.2 | Confident | 49 Ų | 49 | 84.4 Ų | 84.4 | 30% | 0.297 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72 | -43.1 | 178.6 | 178 | 0 | 0 | 0 | 0 | 109.9 | P169 D173 T174 E178 K179 I180 | P169-V176 HydrophobicContact CB-CG1 4.3Å; D173-V176 HydrophobicContact CB-CB 4.12Å; D173-V176 HydrophobicContact CB-CG2 3.87Å; D173-V176 WeakPolarHBondContact O-CB 3.48Å; D173-V176 PolarHBondContact O-N 3.42Å; T174-V176 VanDerWaalsContact C-N 3.35Å; T174-V176 PolarHBondContact O-N 3.46Å; V176-E178 PolarHBondContact O-N 2.97Å; V176-K179 PolarHBondContact O-N 3.45Å; V176-I180 HydrophobicContact CG1-CD1 3.82Å; V176-I180 HydrophobicContact CG1-CG1 4.45Å; V176-I180 VanDerWaalsContact O-CG1 3.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.4Å; V176-I180 PolarHBondContact O-N 3.43Å |
| 177 | W | 84.8 | Confident | 77 | Confident | 52 Ų | 52 | 89.2 Ų | 89.2 | 20% | 0.197 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 178.4 | -68.7 | 111.2 | 0 | 0 | 0 | 113.2 | D173 T174 I180 C181 L203 L206 | D173-W177 VanDerWaalsContact O-CD1 3.28Å; D173-W177 PolarHBondContact O-N 3.15Å; T174-W177 PolarHBondContact O-N 2.75Å; W177-I180 HydrophobicContact CD2-CD1 4.46Å; W177-I180 HydrophobicContact CE3-CD1 3.88Å; W177-I180 HydrophobicContact CZ3-CD1 4.02Å; W177-I180 PolarHBondContact O-N 3.24Å; W177-C181 WeakPolarHBondContact O-CB 3.15Å; W177-C181 PolarHBondContact O-N 3.45Å; W177-C181 PolarHBondContact O-SG 2.91Å; W177-L203 HydrophobicContact CE3-CD2 4.01Å; W177-L203 HydrophobicContact CZ3-CD2 3.77Å; W177-L206 HydrophobicContact CB-CB 4.01Å; W177-L206 HydrophobicContact CD2-CB 3.94Å; W177-L206 HydrophobicContact CD2-CD1 3.72Å; W177-L206 HydrophobicContact CD2-CG 4.36Å; W177-L206 HydrophobicContact CE3-CB 4.28Å; W177-L206 HydrophobicContact CE3-CD1 3.75Å; W177-L206 HydrophobicContact CG-CB 3.79Å; W177-L206 HydrophobicContact CG-CD1 4.41Å; W177-L206 HydrophobicContact CH2-CD1 3.87Å; W177-L206 HydrophobicContact CZ2-CD1 3.83Å; W177-L206 HydrophobicContact CZ3-CD1 3.83Å |
| 178 | E | 83.8 | Confident | 77.5 | Confident | 82 Ų | 82 | 86.9 Ų | 86.9 | 38% | 0.383 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 173 | -171.7 | 179.5 | 177.8 | 0 | 0 | 111.7 | T174 V176 C181 N182 P208 | T174-E178 PolarHBondContact O-N 3.42Å; V176-E178 PolarHBondContact O-N 2.97Å; E178-C181 PolarHBondContact O-N 3.46Å; E178-N182 VanDerWaalsContact O-CG 3.23Å; E178-N182 PolarHBondContact O-N 3.1Å; E178-N182 PolarHBondContact O-ND2 3.43Å; E178-N182 PolarHBondContact O-OD1 3.09Å; E178-P208 HydrophobicContact CB-CG 4.41Å |
| 179 | K | 82.4 | Confident | 77.5 | Confident | 73 Ų | 73 | 87.7 Ų | 87.7 | 32% | 0.317 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 175.7 | -68.9 | 171.5 | -177.5 | -177.4 | 0 | 112.2 | H160 V175 V176 C181 N182 L183 | H160-K179 WeakPolarHBondContact CD2-CE 3.33Å; H160-K179 PolarHBondContact CD2-NZ 3.24Å; H160-K179 WeakPolarHBondContact NE2-CE 3.48Å; H160-K179 PolarHBondContact NE2-NZ 3.5Å; H160-K179 PolarHBondContact O-NZ 3.38Å; V175-K179 WeakPolarHBondContact O-CG 3.37Å; V175-K179 PolarHBondContact O-N 3.34Å; V176-K179 PolarHBondContact O-N 3.45Å; K179-C181 VanDerWaalsContact C-N 3.3Å; K179-C181 PolarHBondContact O-N 3.25Å; K179-N182 PolarHBondContact O-N 3.45Å; K179-N182 VanDerWaalsContact O-N 3.15Å; K179-L183 WeakPolarHBondContact O-CG 3.16Å; K179-L183 PolarHBondContact O-N 3.31Å; K179-L183 VanDerWaalsContact O-N 3.12Å |
| 180 | I | 84.2 | Confident | 77.7 | Confident | 56 Ų | 56 | 88.3 Ų | 88.3 | 29% | 0.287 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 177 | -68.3 | 165.7 | 0 | 0 | 0 | 110.5 | V176 W177 N182 L183 C184 L203 | V176-I180 HydrophobicContact CG1-CD1 3.82Å; V176-I180 HydrophobicContact CG1-CG1 4.45Å; V176-I180 VanDerWaalsContact O-CG1 3.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.4Å; V176-I180 PolarHBondContact O-N 3.43Å; W177-I180 HydrophobicContact CD2-CD1 4.46Å; W177-I180 HydrophobicContact CE3-CD1 3.88Å; W177-I180 HydrophobicContact CZ3-CD1 4.02Å; W177-I180 PolarHBondContact O-N 3.24Å; I180-N182 VanDerWaalsContact C-N 3.3Å; I180-N182 PolarHBondContact O-N 2.93Å; I180-L183 PolarHBondContact O-N 3.3Å; I180-C184 PolarHBondContact O-N 2.89Å; I180-C184 PolarHBondContact O-SG 3.23Å; I180-L203 HydrophobicContact CG2-CD2 3.96Å |
| 181 | C | 85.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 95.8 Ų | 95.8 | 1% | 0.014 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 176.9 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | W177 E178 K179 L183 C184 F186 L203 K207 | W177-C181 WeakPolarHBondContact O-CB 3.15Å; W177-C181 PolarHBondContact O-N 3.45Å; W177-C181 PolarHBondContact O-SG 2.91Å; E178-C181 PolarHBondContact O-N 3.46Å; K179-C181 VanDerWaalsContact C-N 3.3Å; K179-C181 PolarHBondContact O-N 3.25Å; C181-L183 VanDerWaalsContact C-N 3.32Å; C181-L183 PolarHBondContact O-N 3.12Å; C181-C184 PolarHBondContact O-N 3.23Å; C181-F186 HydrophobicContact CB-CE2 3.9Å; C181-F186 WeakPolarHBondContact O-CE2 3.18Å; C181-L203 PolarHBondContact SG-O 2.89Å; C181-L203 VanDerWaalsContact SG-O 3.38Å; C181-K207 HydrophobicContact CB-CD 3.98Å; C181-K207 HydrophobicContact CB-CG 4.49Å |
| 182 | N | 83.6 | Confident | 77.4 | Confident | 106 Ų | 106 | 94 Ų | 94 | 57% | 0.567 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -72.8 | -24.5 | 178.6 | -64.9 | -17.8 | 0 | 0 | 0 | 113.2 | E178 K179 I180 C184 K207 | E178-N182 VanDerWaalsContact O-CG 3.23Å; E178-N182 PolarHBondContact O-N 3.1Å; E178-N182 PolarHBondContact O-ND2 3.43Å; E178-N182 PolarHBondContact O-OD1 3.09Å; K179-N182 PolarHBondContact O-N 3.45Å; K179-N182 VanDerWaalsContact O-N 3.15Å; I180-N182 VanDerWaalsContact C-N 3.3Å; I180-N182 PolarHBondContact O-N 2.93Å; N182-C184 VanDerWaalsContact C-N 3.32Å; N182-K207 PolarHBondContact OD1-NZ 2.82Å |
| 183 | L | 83.9 | Confident | 77.3 | Confident | 149 Ų | 149 | 91 Ų | 91 | 78% | 0.78 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -77 | -21 | 171.8 | -67.8 | 171.9 | 0 | 0 | 0 | 112.7 | K179 I180 C181 | K179-L183 WeakPolarHBondContact O-CG 3.16Å; K179-L183 PolarHBondContact O-N 3.31Å; K179-L183 VanDerWaalsContact O-N 3.12Å; I180-L183 PolarHBondContact O-N 3.3Å; C181-L183 VanDerWaalsContact C-N 3.32Å; C181-L183 PolarHBondContact O-N 3.12Å |
| 184 | C | 82.4 | Confident | 77.4 | Confident | 43 Ų | 43 | 94.1 Ų | 94.1 | 29% | 0.291 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -91.9 | 115.2 | 178.8 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | I180 C181 N182 F186 | I180-C184 PolarHBondContact O-N 2.89Å; I180-C184 PolarHBondContact O-SG 3.23Å; C181-C184 PolarHBondContact O-N 3.23Å; N182-C184 VanDerWaalsContact C-N 3.32Å; C184-F186 HydrophobicContact CB-CD2 4.39Å; C184-F186 HydrophobicContact CB-CE1 3.86Å; C184-F186 HydrophobicContact CB-CE2 3.74Å; C184-F186 HydrophobicContact CB-CZ 3.43Å; C184-F186 VanDerWaalsContact CB-CZ 3.43Å; C184-F186 VanDerWaalsContact O-CD2 3.25Å; C184-F186 WeakPolarHBondContact O-CD2 3.48Å; C184-F186 PolarHBondContact O-N 3.18Å; C184-F186 VanDerWaalsContact O-N 3.08Å |
| 185 | D | 75.8 | Confident | 77.5 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | trans | -70.9 | 104.9 | 172.3 | 176.9 | 14.8 | 0 | 0 | 0 | 110.7 | Q187 S188 | D185-Q187 PolarHBondContact OD1-N 3.37Å; D185-S188 PolarHBondContact OD1-N 3.16Å; D185-S188 VanDerWaalsContact OD2-CB 3.24Å; D185-S188 WeakPolarHBondContact OD2-CB 3.39Å; D185-S188 PolarHBondContact OD2-OG 3.17Å | ||
| 186 | F | 75.2 | Confident | 77.6 | Confident | 60 Ų | 60 | 94.3 Ų | 94.3 | 26% | 0.263 | 49% | 0.487 | S | S | . | . | trans | -93 | -7.2 | 176.2 | -60.9 | -63.8 | 0 | 0 | 0 | 113.7 | C181 C184 R200 L203 L204 | C181-F186 HydrophobicContact CB-CE2 3.9Å; C181-F186 WeakPolarHBondContact O-CE2 3.18Å; C184-F186 HydrophobicContact CB-CD2 4.39Å; C184-F186 HydrophobicContact CB-CE1 3.86Å; C184-F186 HydrophobicContact CB-CE2 3.74Å; C184-F186 HydrophobicContact CB-CZ 3.43Å; C184-F186 VanDerWaalsContact CB-CZ 3.43Å; C184-F186 VanDerWaalsContact O-CD2 3.25Å; C184-F186 WeakPolarHBondContact O-CD2 3.48Å; C184-F186 PolarHBondContact O-N 3.18Å; C184-F186 VanDerWaalsContact O-N 3.08Å; F186-R200 HydrophobicContact CD1-CB 4.39Å; F186-R200 HydrophobicContact CD1-CG 4.04Å; F186-R200 HydrophobicContact CE1-CB 4.29Å; F186-R200 HydrophobicContact CE1-CG 4.08Å; F186-L203 HydrophobicContact CE1-CD1 4.22Å; F186-L203 HydrophobicContact CZ-CB 4.01Å; F186-L203 HydrophobicContact CZ-CD1 3.96Å; F186-L204 HydrophobicContact CD2-CD2 4.36Å; F186-L204 HydrophobicContact CE2-CD2 4.33Å | ||
| 187 | Q | 72.2 | Confident | 77.6 | Confident | 190 Ų | 190 | 95.5 Ų | 95.5 | 89% | 0.888 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -87.2 | -31.3 | -174.6 | -60 | -157.6 | -79.9 | 0 | 0 | 112.1 | D185 | D185-Q187 PolarHBondContact OD1-N 3.37Š|
| 188 | S | 69.3 | Low | 77.7 | Confident | 41 Ų | 41 | 103 Ų | 103 | 29% | 0.287 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -78.7 | 132.5 | 176.4 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | D185 Q190 | D185-S188 PolarHBondContact OD1-N 3.16Å; D185-S188 VanDerWaalsContact OD2-CB 3.24Å; D185-S188 WeakPolarHBondContact OD2-CB 3.39Å; D185-S188 PolarHBondContact OD2-OG 3.17Å; S188-Q190 PolarHBondContact O-N 3.14Å; S188-Q190 WeakPolarHBondContact OG-CG 3.48Å |
| 189 | K | 64.8 | Low | 77.8 | Confident | 201 Ų | 201 | 104 Ų | 104 | 87% | 0.874 | 53% | 0.532 | S | S | * | . | trans | -68.9 | 64 | 159.6 | -64.6 | -178.1 | -176.8 | 179.3 | 0 | 107.9 | K191 | K189-K191 PolarHBondContact O-N 3.41Š| ||
| 190 | Q | 65.9 | Low | 78 | Confident | 106 Ų | 106 | 103.2 Ų | 103.2 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | trans | -50.9 | 114 | 174.9 | -102.4 | 177.7 | -2.6 | 0 | 0 | 108.1 | S188 T192 | S188-Q190 PolarHBondContact O-N 3.14Å; S188-Q190 WeakPolarHBondContact OG-CG 3.48Å; Q190-T192 HydrophobicContact CB-CG2 4.3Å; Q190-T192 PolarHBondContact O-N 3.31Å | ||
| 191 | K | 65.7 | Low | 78.1 | Confident | 213 Ų | 213 | 102.6 Ų | 102.6 | 93% | 0.926 | 53% | 0.534 | S | S | * | . | trans | -74.7 | 50.7 | 176.5 | -63 | 179.6 | -179.8 | 176 | 0 | 110 | K189 | K189-K191 PolarHBondContact O-N 3.41Š| ||
| 192 | T | 70.2 | Confident | 78.2 | Confident | 68 Ų | 68 | 106.7 Ų | 106.7 | 42% | 0.417 | 56% | 0.555 | S | S | . | * | trans | -70.2 | 135.7 | 171.8 | 51.6 | 0 | 0 | 0 | 0 | 108 | Q190 I194 | Q190-T192 HydrophobicContact CB-CG2 4.3Å; Q190-T192 PolarHBondContact O-N 3.31Å; T192-I194 PolarHBondContact O-N 3.38Å; T192-I194 PolarHBondContact OG1-O 3.21Å | ||
| 193 | A | 73.1 | Confident | 78.4 | Confident | 115 Ų | 115 | 102.5 Ų | 102.5 | 95% | 0.95 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -58.3 | -19.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 194 | I | 79 | Confident | 78.4 | Confident | 132 Ų | 132 | 99.5 Ų | 99.5 | 68% | 0.677 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -101.1 | 131.2 | 177.6 | -56.6 | 171.6 | 0 | 0 | 0 | 108.9 | T192 T196 | T192-I194 PolarHBondContact O-N 3.38Å; T192-I194 PolarHBondContact OG1-O 3.21Å; I194-T196 PolarHBondContact O-N 3.09Å |
| 195 | D | 82.1 | Confident | 78.5 | Confident | 130 Ų | 130 | 101.8 Ų | 101.8 | 70% | 0.695 | 53% | 0.533 | S | S | * | . | trans | -65.7 | 111.5 | 171.2 | -178.5 | 13.7 | 0 | 0 | 0 | 110.1 | S197 | D195-S197 WeakPolarHBondContact OD1-CA 3.34Å; D195-S197 WeakPolarHBondContact OD1-CB 3.23Å; D195-S197 PolarHBondContact OD1-N 2.97Å | ||
| 196 | T | 83.3 | Confident | 78.9 | Confident | 31 Ų | 31 | 99.9 Ų | 99.9 | 19% | 0.19 | 52% | 0.523 | C | S | . | . | trans | -94.2 | 3.1 | 177.1 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | I194 R198 M199 R200 | I194-T196 PolarHBondContact O-N 3.09Å; T196-R198 PolarHBondContact O-N 3.15Å; T196-M199 HydrophobicContact CG2-CE 4.01Å; T196-M199 WeakPolarHBondContact O-CB 3.46Å; T196-M199 PolarHBondContact O-N 2.89Å; T196-M199 VanDerWaalsContact O-N 3.09Å; T196-R200 VanDerWaalsContact O-CG 3.28Å; T196-R200 WeakPolarHBondContact O-CG 3.5Å; T196-R200 PolarHBondContact O-N 3.33Å; T196-R200 PolarHBondContact OG1-NE 3.1Å; T196-R200 PolarHBondContact OG1-NH2 3.48Å | ||
| 197 | S | 83.2 | Confident | 79.2 | Confident | 73 Ų | 73 | 100.3 Ų | 100.3 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.1 | -44.8 | -176.2 | -175.4 | 0 | 0 | 0 | 0 | 113 | D195 M199 R200 G201 | D195-S197 WeakPolarHBondContact OD1-CA 3.34Å; D195-S197 WeakPolarHBondContact OD1-CB 3.23Å; D195-S197 PolarHBondContact OD1-N 2.97Å; S197-M199 PolarHBondContact O-N 3.4Å; S197-R200 PolarHBondContact O-N 3.49Å; S197-G201 PolarHBondContact O-N 2.67Å |
| 198 | R | 86.3 | Confident | 79.2 | Confident | 210 Ų | 210 | 93.4 Ų | 93.4 | 79% | 0.792 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.4 | -44.3 | 176.5 | -177 | 176.7 | 179.3 | -176.5 | 0.1 | 112.3 | T196 G201 I202 | T196-R198 PolarHBondContact O-N 3.15Å; R198-G201 PolarHBondContact O-N 3.18Å; R198-I202 HydrophobicContact CG-CD1 4.33Å; R198-I202 WeakPolarHBondContact O-CG1 3.38Å; R198-I202 PolarHBondContact O-N 3.01Å |
| 199 | M | 86.5 | Confident | 78.9 | Confident | 104 Ų | 104 | 99 Ų | 99 | 51% | 0.512 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 178.3 | -178.6 | -175.2 | 72.9 | 0 | 0 | 111 | T196 S197 G201 I202 L203 | T196-M199 HydrophobicContact CG2-CE 4.01Å; T196-M199 WeakPolarHBondContact O-CB 3.46Å; T196-M199 PolarHBondContact O-N 2.89Å; T196-M199 VanDerWaalsContact O-N 3.09Å; S197-M199 PolarHBondContact O-N 3.4Å; M199-G201 VanDerWaalsContact C-N 3.32Å; M199-G201 PolarHBondContact O-N 3.24Å; M199-I202 PolarHBondContact O-N 2.98Å; M199-L203 HydrophobicContact CG-CD1 4.22Å; M199-L203 WeakPolarHBondContact O-CG 3.49Å; M199-L203 PolarHBondContact O-N 3.11Å |
| 200 | R | 85.6 | Confident | 78.2 | Confident | 56 Ų | 56 | 100.4 Ų | 100.4 | 21% | 0.211 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -56.9 | -45.9 | 175.6 | -66.4 | 172 | -165 | -145.9 | -0.4 | 111.1 | F186 T196 S197 I202 L203 L204 | F186-R200 HydrophobicContact CD1-CB 4.39Å; F186-R200 HydrophobicContact CD1-CG 4.04Å; F186-R200 HydrophobicContact CE1-CB 4.29Å; F186-R200 HydrophobicContact CE1-CG 4.08Å; T196-R200 VanDerWaalsContact O-CG 3.28Å; T196-R200 WeakPolarHBondContact O-CG 3.5Å; T196-R200 PolarHBondContact O-N 3.33Å; T196-R200 PolarHBondContact OG1-NE 3.1Å; T196-R200 PolarHBondContact OG1-NH2 3.48Å; S197-R200 PolarHBondContact O-N 3.49Å; R200-I202 PolarHBondContact O-N 3.3Å; R200-L203 PolarHBondContact O-N 2.79Å; R200-L204 WeakPolarHBondContact O-CB 3.43Å; R200-L204 WeakPolarHBondContact O-CG 3.48Å; R200-L204 PolarHBondContact O-N 3.07Å |
| 201 | G | 86.4 | Confident | 78.8 | Confident | 42 Ų | 42 | 100.1 Ų | 100.1 | 43% | 0.433 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S197 R198 M199 S205 | S197-G201 PolarHBondContact O-N 2.67Å; R198-G201 PolarHBondContact O-N 3.18Å; M199-G201 VanDerWaalsContact C-N 3.32Å; M199-G201 PolarHBondContact O-N 3.24Å; G201-S205 PolarHBondContact O-N 3.38Å; G201-S205 VanDerWaalsContact O-N 3.09Å |
| 202 | I | 88.3 | Confident | 79.5 | Confident | 89 Ų | 89 | 94.2 Ų | 94.2 | 46% | 0.456 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 177.2 | -65.3 | 166.9 | 0 | 0 | 0 | 110.7 | R198 M199 R200 L204 S205 L206 | R198-I202 HydrophobicContact CG-CD1 4.33Å; R198-I202 WeakPolarHBondContact O-CG1 3.38Å; R198-I202 PolarHBondContact O-N 3.01Å; M199-I202 PolarHBondContact O-N 2.98Å; R200-I202 PolarHBondContact O-N 3.3Å; I202-L204 PolarHBondContact O-N 3.33Å; I202-S205 PolarHBondContact O-N 3.46Å; I202-S205 PolarHBondContact O-OG 3.25Å; I202-L206 HydrophobicContact CG2-CD1 4.13Å; I202-L206 WeakPolarHBondContact O-CG 3.31Å; I202-L206 PolarHBondContact O-N 2.94Å |
| 203 | L | 86.6 | Confident | 80 | Confident | 17 Ų | 17 | 95.6 Ų | 95.6 | 9% | 0.089 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 179.8 | -70.6 | 174.1 | 0 | 0 | 0 | 112 | W177 I180 C181 F186 M199 R200 S205 L206 K207 | W177-L203 HydrophobicContact CE3-CD2 4.01Å; W177-L203 HydrophobicContact CZ3-CD2 3.77Å; I180-L203 HydrophobicContact CG2-CD2 3.96Å; C181-L203 PolarHBondContact SG-O 2.89Å; C181-L203 VanDerWaalsContact SG-O 3.38Å; F186-L203 HydrophobicContact CE1-CD1 4.22Å; F186-L203 HydrophobicContact CZ-CB 4.01Å; F186-L203 HydrophobicContact CZ-CD1 3.96Å; M199-L203 HydrophobicContact CG-CD1 4.22Å; M199-L203 WeakPolarHBondContact O-CG 3.49Å; M199-L203 PolarHBondContact O-N 3.11Å; R200-L203 PolarHBondContact O-N 2.79Å; L203-S205 VanDerWaalsContact C-N 3.29Å; L203-S205 PolarHBondContact O-N 2.87Å; L203-L206 PolarHBondContact O-N 3.13Å; L203-L206 VanDerWaalsContact O-N 3.14Å; L203-K207 PolarHBondContact O-N 2.95Å; L203-K207 VanDerWaalsContact O-N 3.16Å |
| 204 | L | 84.1 | Confident | 80.4 | Confident | 86 Ų | 86 | 94.5 Ų | 94.5 | 45% | 0.45 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -31.9 | 177.8 | -69.2 | 174.3 | 0 | 0 | 0 | 112.6 | F186 R200 I202 L206 K207 | F186-L204 HydrophobicContact CD2-CD2 4.36Å; F186-L204 HydrophobicContact CE2-CD2 4.33Å; R200-L204 WeakPolarHBondContact O-CB 3.43Å; R200-L204 WeakPolarHBondContact O-CG 3.48Å; R200-L204 PolarHBondContact O-N 3.07Å; I202-L204 PolarHBondContact O-N 3.33Å; L204-L206 VanDerWaalsContact C-N 3.26Å; L204-L206 PolarHBondContact O-N 3.23Å; L204-K207 PolarHBondContact O-N 3.02Å |
| 205 | S | 85.6 | Confident | 80.5 | Confident | 91 Ų | 91 | 92.1 Ų | 92.1 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.9 | -23.5 | 175.1 | 74.6 | 0 | 0 | 0 | 0 | 114 | G201 I202 L203 | G201-S205 PolarHBondContact O-N 3.38Å; G201-S205 VanDerWaalsContact O-N 3.09Å; I202-S205 PolarHBondContact O-N 3.46Å; I202-S205 PolarHBondContact O-OG 3.25Å; L203-S205 VanDerWaalsContact C-N 3.29Å; L203-S205 PolarHBondContact O-N 2.87Å |
| 206 | L | 84.2 | Confident | 80.4 | Confident | 42 Ų | 42 | 89.6 Ų | 89.6 | 22% | 0.22 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -92.9 | -13.8 | 178.7 | -65.7 | 167.9 | 0 | 0 | 0 | 112.4 | V171 W177 I202 L203 L204 | V171-L206 HydrophobicContact CG1-CD2 3.83Å; W177-L206 HydrophobicContact CB-CB 4.01Å; W177-L206 HydrophobicContact CD2-CB 3.94Å; W177-L206 HydrophobicContact CD2-CD1 3.72Å; W177-L206 HydrophobicContact CD2-CG 4.36Å; W177-L206 HydrophobicContact CE3-CB 4.28Å; W177-L206 HydrophobicContact CE3-CD1 3.75Å; W177-L206 HydrophobicContact CG-CB 3.79Å; W177-L206 HydrophobicContact CG-CD1 4.41Å; W177-L206 HydrophobicContact CH2-CD1 3.87Å; W177-L206 HydrophobicContact CZ2-CD1 3.83Å; W177-L206 HydrophobicContact CZ3-CD1 3.83Å; I202-L206 HydrophobicContact CG2-CD1 4.13Å; I202-L206 WeakPolarHBondContact O-CG 3.31Å; I202-L206 PolarHBondContact O-N 2.94Å; L203-L206 PolarHBondContact O-N 3.13Å; L203-L206 VanDerWaalsContact O-N 3.14Å; L204-L206 VanDerWaalsContact C-N 3.26Å; L204-L206 PolarHBondContact O-N 3.23Å |
| 207 | K | 80 | Confident | 80.2 | Confident | 69 Ų | 69 | 93.8 Ų | 93.8 | 30% | 0.3 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -71.1 | 131.3 | 173.8 | -170.5 | 169.5 | 178.3 | 157 | 0 | 108.8 | C181 N182 L203 L204 N209 | C181-K207 HydrophobicContact CB-CD 3.98Å; C181-K207 HydrophobicContact CB-CG 4.49Å; N182-K207 PolarHBondContact OD1-NZ 2.82Å; L203-K207 PolarHBondContact O-N 2.95Å; L203-K207 VanDerWaalsContact O-N 3.16Å; L204-K207 PolarHBondContact O-N 3.02Å; K207-N209 PolarHBondContact O-N 3.03Å |
| 208 | P | 72.2 | Confident | 80 | Confident | 45 Ų | 45 | 95.4 Ų | 95.4 | 29% | 0.292 | 50% | 0.498 | S | S | . | . | trans | -57.2 | 123.3 | 175 | 20 | -29 | 0 | 0 | 0 | 110.3 | T174 E178 N210 | T174-P208 HydrophobicContact CG2-CB 3.48Å; T174-P208 VanDerWaalsContact CG2-CB 3.48Å; T174-P208 HydrophobicContact CG2-CG 3.48Å; T174-P208 VanDerWaalsContact CG2-CG 3.48Å; E178-P208 HydrophobicContact CB-CG 4.41Å; P208-N210 PolarHBondContact O-N 2.59Å | ||
| 209 | N | 64.4 | Low | 79.5 | Confident | 159 Ų | 159 | 85.8 Ų | 85.8 | 85% | 0.85 | 47% | 0.473 | S | S | * | . | trans | -78.5 | 90.2 | 166.3 | -66.2 | -26.8 | 0 | 0 | 0 | 107.5 | K207 | K207-N209 PolarHBondContact O-N 3.03Š| ||
| 210 | N | 49.9 | Very low | 78.8 | Confident | 230 Ų | 230 | 84.2 Ų | 84.2 | 100% | 1.23 | 47% | 0.47 | S | S | * | . | trans | -125.7 | 0 | 163.1 | -118.5 | -14.8 | 0 | 0 | 0 | 108.5 | P208 | P208-N210 PolarHBondContact O-N 2.59Š|
Retrieved 210 of 210 residues in 48.1 ms
(Link to these results)