| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.9 | Very low | 31.3 | Very low | 244 Ų | 244 | 168.4 Ų | 168.4 | 100% | 1.202 | 82% | 0.815 | S | S | * | * | 0 | 108.2 | 0 | -94.2 | 162.9 | 83.8 | 0 | 0 | 108.5 | |||||
| 2 | I | 29.9 | Very low | 31.7 | Very low | 165 Ų | 165 | 162.3 Ų | 162.3 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -90.2 | 127.4 | -177.7 | -61.1 | 164.1 | 0 | 0 | 0 | 107.8 | K4 | I2-K4 PolarHBondContact O-N 3.39Š| ||
| 3 | P | 32.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 160.4 Ų | 160.4 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -69.5 | 133.9 | -176.2 | 27.2 | -30.5 | 0 | 0 | 0 | 110.5 | K5 | P3-K5 PolarHBondContact O-N 3.25Å; P3-K5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | K | 33.8 | Very low | 32.2 | Very low | 201 Ų | 201 | 155.6 Ų | 155.6 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -55.3 | 115.9 | 175.6 | -75.9 | 174 | 175.1 | 173.9 | 0 | 109.3 | I2 T6 | I2-K4 PolarHBondContact O-N 3.39Å; K4-T6 PolarHBondContact O-N 2.88Å | ||
| 5 | K | 33.8 | Very low | 32.5 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 75% | 0.749 | S | S | * | * | trans | -54.8 | 109.9 | 168.8 | -89.9 | 177.3 | 173.9 | 174.3 | 0 | 109.2 | P3 R7 | P3-K5 PolarHBondContact O-N 3.25Å; P3-K5 VanDerWaalsContact O-N 3.16Å; K5-R7 VanDerWaalsContact C-N 3.35Å; K5-R7 PolarHBondContact O-N 2.73Å | ||
| 6 | T | 29.9 | Very low | 32.5 | Very low | 132 Ų | 132 | 154.2 Ų | 154.2 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -63.9 | 95.5 | 170 | -30.7 | 0 | 0 | 0 | 0 | 108.1 | K4 L8 | K4-T6 PolarHBondContact O-N 2.88Å; T6-L8 PolarHBondContact O-N 3.34Å | ||
| 7 | R | 25.4 | Very low | 32.4 | Very low | 224 Ų | 224 | 150.5 Ų | 150.5 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | trans | -75.5 | 91.7 | 176.1 | -154.7 | -179.7 | -176 | -165.7 | 1.3 | 106.7 | K5 Q9 | K5-R7 VanDerWaalsContact C-N 3.35Å; K5-R7 PolarHBondContact O-N 2.73Å; R7-Q9 VanDerWaalsContact C-N 3.31Å; R7-Q9 PolarHBondContact O-N 3.33Å | ||
| 8 | L | 29.6 | Very low | 32.7 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | -61.2 | 97.6 | 169.1 | -83.6 | 158.8 | 0 | 0 | 0 | 107.8 | T6 F10 | T6-L8 PolarHBondContact O-N 3.34Å; L8-F10 VanDerWaalsContact C-N 3.25Å; L8-F10 HydrophobicContact CB-CD2 3.96Å; L8-F10 HydrophobicContact CB-CE2 3.8Å; L8-F10 HydrophobicContact CD1-CE2 4.2Å; L8-F10 HydrophobicContact CG-CE2 4.4Å; L8-F10 PolarHBondContact O-N 2.78Å | ||
| 9 | Q | 28.9 | Very low | 32.9 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | -67.9 | 89.5 | 166.9 | -78.2 | -175.2 | -12.6 | 0 | 0 | 107.4 | R7 N11 | R7-Q9 VanDerWaalsContact C-N 3.31Å; R7-Q9 PolarHBondContact O-N 3.33Å; Q9-N11 PolarHBondContact O-N 3.34Å; Q9-N11 VanDerWaalsContact O-N 3.13Å | ||
| 10 | F | 33.2 | Very low | 33.1 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | trans | -71.8 | 105.4 | 166.5 | -85.3 | -83.4 | 0 | 0 | 0 | 108.1 | L8 S12 | L8-F10 VanDerWaalsContact C-N 3.25Å; L8-F10 HydrophobicContact CB-CD2 3.96Å; L8-F10 HydrophobicContact CB-CE2 3.8Å; L8-F10 HydrophobicContact CD1-CE2 4.2Å; L8-F10 HydrophobicContact CG-CE2 4.4Å; L8-F10 PolarHBondContact O-N 2.78Å; F10-S12 PolarHBondContact O-N 3.01Å; F10-S12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | N | 31.3 | Very low | 33.3 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 59% | 0.588 | 70% | 0.698 | S | S | * | * | trans | -51.5 | 118.7 | 165.8 | -89.6 | -27.3 | 0 | 0 | 0 | 108.1 | Q9 N13 L14 | Q9-N11 PolarHBondContact O-N 3.34Å; Q9-N11 VanDerWaalsContact O-N 3.13Å; N11-N13 PolarHBondContact O-N 3.32Å; N11-L14 HydrophobicContact CB-CD1 4.35Å; N11-L14 PolarHBondContact O-N 3.33Å | ||
| 12 | S | 35.4 | Very low | 33.6 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -6.9 | 178.6 | 38.9 | 0 | 0 | 0 | 0 | 114.5 | F10 | F10-S12 PolarHBondContact O-N 3.01Å; F10-S12 VanDerWaalsContact O-N 3.12Å |
| 13 | N | 34 | Very low | 34.1 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -7.9 | 179.5 | -61.7 | -21.5 | 0 | 0 | 0 | 113.9 | N11 | N11-N13 PolarHBondContact O-N 3.32Š|
| 14 | L | 36.6 | Very low | 35 | Very low | 94 Ų | 94 | 136 Ų | 136 | 49% | 0.492 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -87.6 | -15 | -176.1 | -99 | 157 | 0 | 0 | 0 | 114.9 | N11 L20 | N11-L14 HydrophobicContact CB-CD1 4.35Å; N11-L14 PolarHBondContact O-N 3.33Å; L14-L20 HydrophobicContact CD2-CD1 4.14Å |
| 15 | L | 36.3 | Very low | 36.1 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 37% | 0.372 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | -3.4 | 179.4 | -120.1 | 98.5 | 0 | 0 | 0 | 114 | N17 Y21 Y51 | L15-N17 VanDerWaalsContact C-N 3.3Å; L15-Y21 WeakPolarHBondContact CD2-OH 3.19Å; L15-Y51 HydrophobicContact CB-CE1 4.42Å; L15-Y51 HydrophobicContact CD2-CD1 3.48Å; L15-Y51 VanDerWaalsContact CD2-CD1 3.48Å; L15-Y51 HydrophobicContact CD2-CD2 4.39Å; L15-Y51 HydrophobicContact CD2-CE1 3.49Å; L15-Y51 VanDerWaalsContact CD2-CE1 3.49Å; L15-Y51 HydrophobicContact CD2-CE2 4.4Å; L15-Y51 HydrophobicContact CD2-CG 3.94Å |
| 16 | Y | 32.9 | Very low | 37.5 | Very low | 217 Ų | 217 | 124.1 Ų | 124.1 | 85% | 0.851 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -2.6 | -179.3 | -131.4 | -91.9 | 0 | 0 | 0 | 113.4 | S18 | Y16-S18 PolarHBondContact O-N 3.48Š|
| 17 | N | 31.6 | Very low | 39.1 | Very low | 92 Ų | 92 | 121 Ų | 121 | 49% | 0.492 | 60% | 0.604 | S | S | . | * | trans | -91.3 | 100.1 | 173.1 | -101.5 | -18.2 | 0 | 0 | 0 | 109.8 | L15 N19 L20 | L15-N17 VanDerWaalsContact C-N 3.3Å; N17-N19 PolarHBondContact O-N 3.47Å; N17-L20 PolarHBondContact O-N 3.07Å | ||
| 18 | S | 37.7 | Very low | 40.9 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | -16 | 166.7 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | Y16 | Y16-S18 PolarHBondContact O-N 3.48Š|
| 19 | N | 35.8 | Very low | 42.6 | Very low | 117 Ų | 117 | 109.2 Ų | 109.2 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -11.1 | 179.7 | -67.3 | -23.9 | 0 | 0 | 0 | 115.1 | N17 | N17-N19 PolarHBondContact O-N 3.47Š|
| 20 | L | 36.4 | Very low | 44.8 | Very low | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -88.6 | -7.6 | 173.5 | -106.9 | 145.8 | 0 | 0 | 0 | 113.1 | L14 N17 K22 | L14-L20 HydrophobicContact CD2-CD1 4.14Å; N17-L20 PolarHBondContact O-N 3.07Å; L20-K22 PolarHBondContact O-N 3.11Å |
| 21 | Y | 38.2 | Very low | 46.5 | Very low | 71 Ų | 71 | 105.5 Ų | 105.5 | 28% | 0.278 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -77.8 | -1.3 | 175.2 | -87.5 | -85.7 | 0 | 0 | 0 | 114.2 | L15 Q23 | L15-Y21 WeakPolarHBondContact CD2-OH 3.19Å; Y21-Q23 PolarHBondContact O-N 3.49Å |
| 22 | K | 41 | Very low | 48.4 | Very low | 200 Ų | 200 | 103 Ų | 103 | 87% | 0.87 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -74.5 | -7.4 | 173.7 | -102.6 | -176.3 | 176.1 | -177.5 | 0 | 114 | L20 | L20-K22 PolarHBondContact O-N 3.11Š|
| 23 | Q | 40.7 | Very low | 50.1 | Low | 187 Ų | 187 | 101.8 Ų | 101.8 | 87% | 0.874 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -154.1 | 5 | -178.4 | -118.8 | 168 | 6.5 | 0 | 0 | 116.3 | Y21 N25 | Y21-Q23 PolarHBondContact O-N 3.49Å; Q23-N25 PolarHBondContact O-N 3.47Å |
| 24 | S | 51.6 | Low | 52 | Low | 52 Ų | 52 | 101 Ų | 101 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | trans | -75.3 | 97.4 | 169.3 | 52.3 | 0 | 0 | 0 | 0 | 108.9 | L26 | S24-L26 PolarHBondContact O-N 3.37Š| ||
| 25 | N | 57.3 | Low | 54.1 | Low | 100 Ų | 100 | 98.5 Ų | 98.5 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | trans | -55.3 | 102.4 | 179.4 | -164.2 | -17.6 | 0 | 0 | 0 | 109 | Q23 S27 S28 L29 | Q23-N25 PolarHBondContact O-N 3.47Å; N25-S27 PolarHBondContact O-N 3.43Å; N25-S27 VanDerWaalsContact OD1-CB 3.3Å; N25-S27 WeakPolarHBondContact OD1-CB 3.42Å; N25-S27 PolarHBondContact OD1-N 3.23Å; N25-S28 WeakPolarHBondContact O-CA 3.5Å; N25-S28 PolarHBondContact O-N 3.03Å; N25-S28 PolarHBondContact O-OG 3.38Å; N25-L29 PolarHBondContact O-N 3.01Å | ||
| 26 | L | 63.1 | Low | 56.3 | Low | 56 Ų | 56 | 101.4 Ų | 101.4 | 29% | 0.293 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -51.2 | -34.2 | -179.7 | -176 | 69.9 | 0 | 0 | 0 | 110.8 | S24 S28 L29 I30 I37 L43 L53 | S24-L26 PolarHBondContact O-N 3.37Å; L26-S28 VanDerWaalsContact C-N 3.35Å; L26-S28 PolarHBondContact O-N 2.9Å; L26-L29 PolarHBondContact O-N 3.35Å; L26-I30 HydrophobicContact CD2-CD1 4.45Å; L26-I30 HydrophobicContact CG-CD1 3.96Å; L26-I30 WeakPolarHBondContact O-CG1 3.5Å; L26-I30 PolarHBondContact O-N 3.19Å; L26-I37 HydrophobicContact CD2-CD1 4.4Å; L26-L43 HydrophobicContact CD1-CD1 4.15Å; L26-L53 HydrophobicContact CD1-CD2 3.58Å |
| 27 | S | 63.2 | Low | 58.7 | Low | 66 Ų | 66 | 94 Ų | 94 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -34.5 | 174.6 | -53.1 | 0 | 0 | 0 | 0 | 113.4 | N25 K31 | N25-S27 PolarHBondContact O-N 3.43Å; N25-S27 VanDerWaalsContact OD1-CB 3.3Å; N25-S27 WeakPolarHBondContact OD1-CB 3.42Å; N25-S27 PolarHBondContact OD1-N 3.23Å; S27-K31 WeakPolarHBondContact O-CB 3.18Å; S27-K31 WeakPolarHBondContact O-CG 3.4Å; S27-K31 PolarHBondContact O-N 3.29Å |
| 28 | S | 63.4 | Low | 61.1 | Low | 65 Ų | 65 | 90.7 Ų | 90.7 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.9 | -34.3 | 175.6 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | N25 L26 S32 | N25-S28 WeakPolarHBondContact O-CA 3.5Å; N25-S28 PolarHBondContact O-N 3.03Å; N25-S28 PolarHBondContact O-OG 3.38Å; L26-S28 VanDerWaalsContact C-N 3.35Å; L26-S28 PolarHBondContact O-N 2.9Å; S28-S32 PolarHBondContact O-N 3.09Å; S28-S32 VanDerWaalsContact O-N 3.11Å |
| 29 | L | 66.9 | Low | 63 | Low | 44 Ų | 44 | 92.9 Ų | 92.9 | 23% | 0.23 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 174.3 | -74.3 | 165.1 | 0 | 0 | 0 | 111.5 | N25 L26 S32 F35 L43 | N25-L29 PolarHBondContact O-N 3.01Å; L26-L29 PolarHBondContact O-N 3.35Å; L29-S32 WeakPolarHBondContact O-CB 3.44Å; L29-S32 PolarHBondContact O-N 3.32Å; L29-S32 PolarHBondContact O-OG 3.5Å; L29-F35 HydrophobicContact CB-CD2 4.39Å; L29-F35 HydrophobicContact CD2-CD2 4.06Å; L29-F35 HydrophobicContact CD2-CE1 4.47Å; L29-F35 HydrophobicContact CD2-CE2 3.77Å; L29-F35 HydrophobicContact CD2-CZ 4Å; L29-L43 HydrophobicContact CD1-CD2 4.37Å |
| 30 | I | 73.5 | Confident | 64.8 | Low | 62 Ų | 62 | 93 Ų | 93 | 32% | 0.318 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69 | -43.4 | 177.1 | -63.5 | 166.9 | 0 | 0 | 0 | 110.6 | L26 S32 G33 I37 | L26-I30 HydrophobicContact CD2-CD1 4.45Å; L26-I30 HydrophobicContact CG-CD1 3.96Å; L26-I30 WeakPolarHBondContact O-CG1 3.5Å; L26-I30 PolarHBondContact O-N 3.19Å; I30-S32 PolarHBondContact O-N 3.08Å; I30-S32 VanDerWaalsContact O-N 3.15Å; I30-G33 PolarHBondContact O-N 3.48Å; I30-I37 HydrophobicContact CD1-CD1 3.84Å; I30-I37 HydrophobicContact CD1-CG1 4.31Å |
| 31 | K | 68.5 | Low | 66.7 | Low | 184 Ų | 184 | 88.7 Ų | 88.7 | 80% | 0.8 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.1 | -24.2 | 176.3 | -80.2 | 179.1 | 179.3 | -171.2 | 0 | 113.6 | S27 G33 | S27-K31 WeakPolarHBondContact O-CB 3.18Å; S27-K31 WeakPolarHBondContact O-CG 3.4Å; S27-K31 PolarHBondContact O-N 3.29Å; K31-G33 PolarHBondContact O-N 3.44Å |
| 32 | S | 71.1 | Confident | 68.7 | Low | 58 Ų | 58 | 88.7 Ų | 88.7 | 41% | 0.406 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.1 | 175.8 | 79.2 | 0 | 0 | 0 | 0 | 113.7 | S28 L29 I30 Q34 | S28-S32 PolarHBondContact O-N 3.09Å; S28-S32 VanDerWaalsContact O-N 3.11Å; L29-S32 WeakPolarHBondContact O-CB 3.44Å; L29-S32 PolarHBondContact O-N 3.32Å; L29-S32 PolarHBondContact O-OG 3.5Å; I30-S32 PolarHBondContact O-N 3.08Å; I30-S32 VanDerWaalsContact O-N 3.15Å; S32-Q34 PolarHBondContact O-N 3.05Å; S32-Q34 VanDerWaalsContact O-N 3.1Å; S32-Q34 PolarHBondContact OG-N 3.3Å |
| 33 | G | 72.7 | Confident | 70.7 | Confident | 69 Ų | 69 | 79.2 Ų | 79.2 | 71% | 0.711 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 69.1 | -1.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I30 K31 F35 | I30-G33 PolarHBondContact O-N 3.48Å; K31-G33 PolarHBondContact O-N 3.44Å; G33-F35 VanDerWaalsContact C-N 3.34Å |
| 34 | Q | 72.7 | Confident | 72.6 | Confident | 122 Ų | 122 | 70.4 Ų | 70.4 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -87.8 | -8.8 | 178.4 | -61.6 | -176.4 | 6.5 | 0 | 0 | 112.9 | S32 T45 S46 | S32-Q34 PolarHBondContact O-N 3.05Å; S32-Q34 VanDerWaalsContact O-N 3.1Å; S32-Q34 PolarHBondContact OG-N 3.3Å; Q34-T45 CarbonylContact O-C 3.6Å; Q34-S46 PolarHBondContact O-N 3.06Å |
| 35 | F | 81 | Confident | 74.2 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 141.8 | -178 | -56.7 | -101.6 | 0 | 0 | 0 | 109.7 | L29 G33 L43 V44 T45 | L29-F35 HydrophobicContact CB-CD2 4.39Å; L29-F35 HydrophobicContact CD2-CD2 4.06Å; L29-F35 HydrophobicContact CD2-CE1 4.47Å; L29-F35 HydrophobicContact CD2-CE2 3.77Å; L29-F35 HydrophobicContact CD2-CZ 4Å; G33-F35 VanDerWaalsContact C-N 3.34Å; F35-L43 HydrophobicContact CB-CD1 3.83Å; F35-L43 HydrophobicContact CB-CG 4.26Å; F35-L43 HydrophobicContact CD1-CD1 4.44Å; F35-L43 HydrophobicContact CD1-CD2 3.86Å; F35-L43 HydrophobicContact CD1-CG 3.98Å; F35-L43 HydrophobicContact CE1-CD2 4.4Å; F35-V44 VanDerWaalsContact CA-O 3.26Å; F35-V44 WeakPolarHBondContact CA-O 3.32Å; F35-T45 HydrophobicContact CD1-CG2 3.51Å; F35-T45 HydrophobicContact CE1-CG2 3.15Å; F35-T45 HydrophobicContact CZ-CG2 3.98Å |
| 36 | Y | 83.2 | Confident | 75 | Confident | 132 Ų | 132 | 68.9 Ų | 68.9 | 52% | 0.518 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 163.6 | 169.8 | 66.1 | -86.9 | 0 | 0 | 0 | 109.6 | D38 V44 | Y36-D38 HydrophobicContact CE2-CB 4.19Å; Y36-V44 HydrophobicContact CD1-CB 4.18Å; Y36-V44 HydrophobicContact CD2-CB 4.21Å; Y36-V44 HydrophobicContact CE1-CB 3.75Å; Y36-V44 HydrophobicContact CE1-CG1 3.7Å; Y36-V44 HydrophobicContact CE2-CB 3.77Å; Y36-V44 HydrophobicContact CE2-CG1 4.21Å; Y36-V44 HydrophobicContact CE2-CG2 4Å; Y36-V44 HydrophobicContact CG-CB 4.4Å; Y36-V44 PolarHBondContact N-O 3.27Å; Y36-V44 PolarHBondContact O-N 3.48Å; Y36-V44 WeakPolarHBondContact OH-CG1 3.45Å |
| 37 | I | 83.8 | Confident | 75.7 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 32% | 0.323 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125 | 172.8 | -61.5 | 175.9 | 0 | 0 | 0 | 107.5 | L26 I30 F42 L43 L53 | L26-I37 HydrophobicContact CD2-CD1 4.4Å; I30-I37 HydrophobicContact CD1-CD1 3.84Å; I30-I37 HydrophobicContact CD1-CG1 4.31Å; I37-F42 WeakPolarHBondContact CA-O 3.35Å; I37-L43 HydrophobicContact CG1-CD1 4.41Å; I37-L53 HydrophobicContact CD1-CD1 3.97Å; I37-L53 HydrophobicContact CG1-CD1 4.27Å |
| 38 | D | 80.9 | Confident | 76.2 | Confident | 21 Ų | 21 | 71 Ų | 71 | 11% | 0.112 | 39% | 0.39 | C | S | . | . | trans | -76.9 | 170.6 | 177 | 74.7 | 4.2 | 0 | 0 | 0 | 112.3 | Y36 F40 G41 F42 V44 R50 | Y36-D38 HydrophobicContact CE2-CB 4.19Å; D38-F40 PolarHBondContact O-N 2.94Å; D38-F40 WeakPolarHBondContact OD1-CA 3.38Å; D38-F40 WeakPolarHBondContact OD1-CB 3.19Å; D38-F40 PolarHBondContact OD1-N 3.12Å; D38-G41 PolarHBondContact O-N 2.95Å; D38-G41 PolarHBondContact OD1-N 2.99Å; D38-G41 VanDerWaalsContact OD1-N 3.09Å; D38-F42 PolarHBondContact N-O 3.37Å; D38-F42 PolarHBondContact OD1-N 3.2Å; D38-V44 HydrophobicContact CB-CG2 3.69Å; D38-R50 IonicContact OD2-CZ 2.87Å; D38-R50 IonicContact OD2-NE 3.6Å; D38-R50 IonicContact OD2-NH1 3.08Å | ||
| 39 | Q | 78.7 | Confident | 76.8 | Confident | 141 Ų | 141 | 72.6 Ų | 72.6 | 66% | 0.659 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -4.1 | 176.5 | 70.9 | -176.4 | 10.8 | 0 | 0 | 114.3 | P63 | Q39-P63 WeakPolarHBondContact O-CB 3.35Š|
| 40 | F | 73.7 | Confident | 77.4 | Confident | 119 Ų | 119 | 77.4 Ų | 77.4 | 52% | 0.522 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 3.3 | 179.6 | -57.6 | -71.4 | 0 | 0 | 0 | 112.1 | D38 F42 | D38-F40 PolarHBondContact O-N 2.94Å; D38-F40 WeakPolarHBondContact OD1-CA 3.38Å; D38-F40 WeakPolarHBondContact OD1-CB 3.19Å; D38-F40 PolarHBondContact OD1-N 3.12Å; F40-F42 HydrophobicContact CB-CD2 3.63Å; F40-F42 HydrophobicContact CB-CE2 3.77Å |
| 41 | G | 76.1 | Confident | 77.5 | Confident | 10 Ų | 10 | 76.4 Ų | 76.4 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | S | Bend | trans | 82.1 | 18.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D38 | D38-G41 PolarHBondContact O-N 2.95Å; D38-G41 PolarHBondContact OD1-N 2.99Å; D38-G41 VanDerWaalsContact OD1-N 3.09Å |
| 42 | F | 78.7 | Confident | 77.7 | Confident | 71 Ų | 71 | 72 Ų | 72 | 31% | 0.311 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 143.1 | 173.7 | -64.9 | -97.2 | 0 | 0 | 0 | 110.9 | I37 D38 F40 V44 R50 Y51 P52 | I37-F42 WeakPolarHBondContact CA-O 3.35Å; D38-F42 PolarHBondContact N-O 3.37Å; D38-F42 PolarHBondContact OD1-N 3.2Å; F40-F42 HydrophobicContact CB-CD2 3.63Å; F40-F42 HydrophobicContact CB-CE2 3.77Å; F42-V44 PolarHBondContact O-N 3.09Å; F42-R50 HydrophobicContact CB-CB 4.05Å; F42-R50 HydrophobicContact CD1-CB 4.24Å; F42-R50 HydrophobicContact CG-CB 4.3Å; F42-Y51 WeakPolarHBondContact CA-O 3.33Å; F42-P52 HydrophobicContact CD1-CB 4.21Å; F42-P52 HydrophobicContact CE1-CB 4.02Å |
| 43 | L | 83 | Confident | 77.4 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 117.2 | 166.7 | -172.2 | 74.1 | 0 | 0 | 0 | 108.5 | L26 L29 F35 I37 Y51 L53 | L26-L43 HydrophobicContact CD1-CD1 4.15Å; L29-L43 HydrophobicContact CD1-CD2 4.37Å; F35-L43 HydrophobicContact CB-CD1 3.83Å; F35-L43 HydrophobicContact CB-CG 4.26Å; F35-L43 HydrophobicContact CD1-CD1 4.44Å; F35-L43 HydrophobicContact CD1-CD2 3.86Å; F35-L43 HydrophobicContact CD1-CG 3.98Å; F35-L43 HydrophobicContact CE1-CD2 4.4Å; I37-L43 HydrophobicContact CG1-CD1 4.41Å; L43-Y51 PolarHBondContact N-O 3.35Å; L43-Y51 PolarHBondContact O-N 3.31Å; L43-L53 HydrophobicContact CB-CD2 3.92Å; L43-L53 HydrophobicContact CB-CG 4.27Å |
| 44 | V | 82.2 | Confident | 76.5 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.6 | -178.9 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | F35 Y36 D38 F42 K49 R50 | F35-V44 VanDerWaalsContact CA-O 3.26Å; F35-V44 WeakPolarHBondContact CA-O 3.32Å; Y36-V44 HydrophobicContact CD1-CB 4.18Å; Y36-V44 HydrophobicContact CD2-CB 4.21Å; Y36-V44 HydrophobicContact CE1-CB 3.75Å; Y36-V44 HydrophobicContact CE1-CG1 3.7Å; Y36-V44 HydrophobicContact CE2-CB 3.77Å; Y36-V44 HydrophobicContact CE2-CG1 4.21Å; Y36-V44 HydrophobicContact CE2-CG2 4Å; Y36-V44 HydrophobicContact CG-CB 4.4Å; Y36-V44 PolarHBondContact N-O 3.27Å; Y36-V44 PolarHBondContact O-N 3.48Å; Y36-V44 WeakPolarHBondContact OH-CG1 3.45Å; D38-V44 HydrophobicContact CB-CG2 3.69Å; F42-V44 PolarHBondContact O-N 3.09Å; V44-K49 WeakPolarHBondContact CA-O 3.46Å; V44-R50 HydrophobicContact CG2-CG 4.03Å |
| 45 | T | 83.3 | Confident | 75.5 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 8% | 0.08 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 162.3 | 173.4 | 35.9 | 0 | 0 | 0 | 0 | 111.9 | Q34 F35 N47 G48 K49 Y51 | Q34-T45 CarbonylContact O-C 3.6Å; F35-T45 HydrophobicContact CD1-CG2 3.51Å; F35-T45 HydrophobicContact CE1-CG2 3.15Å; F35-T45 HydrophobicContact CZ-CG2 3.98Å; T45-N47 VanDerWaalsContact CB-OD1 3.24Å; T45-N47 WeakPolarHBondContact CB-OD1 3.46Å; T45-N47 PolarHBondContact O-N 3.3Å; T45-N47 PolarHBondContact OG1-OD1 3.48Å; T45-G48 PolarHBondContact O-N 2.81Å; T45-K49 PolarHBondContact N-O 2.79Å; T45-K49 VanDerWaalsContact N-O 3.07Å; T45-K49 WeakPolarHBondContact OG1-CB 3.44Å; T45-K49 PolarHBondContact OG1-N 2.81Å; T45-K49 PolarHBondContact OG1-O 3.29Å; T45-Y51 HydrophobicContact CG2-CD2 4.41Å; T45-Y51 HydrophobicContact CG2-CE2 3.75Å |
| 46 | S | 74.2 | Confident | 73.8 | Confident | 107 Ų | 107 | 70.2 Ų | 70.2 | 75% | 0.748 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -18 | 171.3 | 58.3 | 0 | 0 | 0 | 0 | 115.3 | Q34 | Q34-S46 PolarHBondContact O-N 3.06Š|
| 47 | N | 78.2 | Confident | 71.7 | Confident | 120 Ų | 120 | 66.2 Ų | 66.2 | 64% | 0.642 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 8.7 | 174.4 | 68.4 | 7.7 | 0 | 0 | 0 | 114 | T45 K49 | T45-N47 VanDerWaalsContact CB-OD1 3.24Å; T45-N47 WeakPolarHBondContact CB-OD1 3.46Å; T45-N47 PolarHBondContact O-N 3.3Å; T45-N47 PolarHBondContact OG1-OD1 3.48Å; N47-K49 VanDerWaalsContact C-N 3.31Å; N47-K49 PolarHBondContact O-N 2.99Å; N47-K49 WeakPolarHBondContact OD1-CB 3.42Å; N47-K49 PolarHBondContact OD1-N 3.31Å |
| 48 | G | 74.6 | Confident | 69.9 | Low | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 80.4 | 1.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | T45 | T45-G48 PolarHBondContact O-N 2.81Š|
| 49 | K | 75.5 | Confident | 68.2 | Low | 99 Ų | 99 | 75.9 Ų | 75.9 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | trans | -75.1 | 133.7 | 177.4 | -170.6 | 170.3 | 170.4 | -163.4 | 0 | 110.6 | V44 T45 N47 Y51 | V44-K49 WeakPolarHBondContact CA-O 3.46Å; T45-K49 PolarHBondContact N-O 2.79Å; T45-K49 VanDerWaalsContact N-O 3.07Å; T45-K49 WeakPolarHBondContact OG1-CB 3.44Å; T45-K49 PolarHBondContact OG1-N 2.81Å; T45-K49 PolarHBondContact OG1-O 3.29Å; N47-K49 VanDerWaalsContact C-N 3.31Å; N47-K49 PolarHBondContact O-N 2.99Å; N47-K49 WeakPolarHBondContact OD1-CB 3.42Å; N47-K49 PolarHBondContact OD1-N 3.31Å; K49-Y51 HydrophobicContact CB-CE2 4.22Å; K49-Y51 HydrophobicContact CD-CE1 4.35Å; K49-Y51 HydrophobicContact CD-CE2 4.23Å; K49-Y51 VanDerWaalsContact CD-OH 3.25Å; K49-Y51 WeakPolarHBondContact CD-OH 3.39Å; K49-Y51 VanDerWaalsContact CE-OH 3.28Å; K49-Y51 WeakPolarHBondContact CE-OH 3.24Å; K49-Y51 HydrophobicContact CG-CE2 3.97Å; K49-Y51 PolarHBondContact NZ-OH 3.01Å; K49-Y51 VanDerWaalsContact NZ-OH 3.14Å | ||
| 50 | R | 80.3 | Confident | 66.4 | Low | 144 Ų | 144 | 73.1 Ų | 73.1 | 54% | 0.543 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.4 | -176.8 | -53.6 | -169.1 | -175.8 | 179.5 | 0.5 | 110.4 | D38 F42 V44 | D38-R50 IonicContact OD2-CZ 2.87Å; D38-R50 IonicContact OD2-NE 3.6Å; D38-R50 IonicContact OD2-NH1 3.08Å; F42-R50 HydrophobicContact CB-CB 4.05Å; F42-R50 HydrophobicContact CD1-CB 4.24Å; F42-R50 HydrophobicContact CG-CB 4.3Å; V44-R50 HydrophobicContact CG2-CG 4.03Å |
| 51 | Y | 75.3 | Confident | 64.9 | Low | 42 Ų | 42 | 76.8 Ų | 76.8 | 17% | 0.165 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.5 | 175.7 | -61 | -86.8 | 0 | 0 | 0 | 109.1 | L15 F42 L43 T45 K49 L53 | L15-Y51 HydrophobicContact CB-CE1 4.42Å; L15-Y51 HydrophobicContact CD2-CD1 3.48Å; L15-Y51 VanDerWaalsContact CD2-CD1 3.48Å; L15-Y51 HydrophobicContact CD2-CD2 4.39Å; L15-Y51 HydrophobicContact CD2-CE1 3.49Å; L15-Y51 VanDerWaalsContact CD2-CE1 3.49Å; L15-Y51 HydrophobicContact CD2-CE2 4.4Å; L15-Y51 HydrophobicContact CD2-CG 3.94Å; F42-Y51 WeakPolarHBondContact CA-O 3.33Å; L43-Y51 PolarHBondContact N-O 3.35Å; L43-Y51 PolarHBondContact O-N 3.31Å; T45-Y51 HydrophobicContact CG2-CD2 4.41Å; T45-Y51 HydrophobicContact CG2-CE2 3.75Å; K49-Y51 HydrophobicContact CB-CE2 4.22Å; K49-Y51 HydrophobicContact CD-CE1 4.35Å; K49-Y51 HydrophobicContact CD-CE2 4.23Å; K49-Y51 VanDerWaalsContact CD-OH 3.25Å; K49-Y51 WeakPolarHBondContact CD-OH 3.39Å; K49-Y51 VanDerWaalsContact CE-OH 3.28Å; K49-Y51 WeakPolarHBondContact CE-OH 3.24Å; K49-Y51 HydrophobicContact CG-CE2 3.97Å; K49-Y51 PolarHBondContact NZ-OH 3.01Å; K49-Y51 VanDerWaalsContact NZ-OH 3.14Å; Y51-L53 PolarHBondContact O-N 3.35Å |
| 52 | P | 71.8 | Confident | 63.4 | Low | 91 Ų | 91 | 85.4 Ų | 85.4 | 59% | 0.591 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 128.2 | 174 | 26.9 | -32 | 0 | 0 | 0 | 108.5 | F42 | F42-P52 HydrophobicContact CD1-CB 4.21Å; F42-P52 HydrophobicContact CE1-CB 4.02Å |
| 53 | L | 66.3 | Low | 61.4 | Low | 22 Ų | 22 | 85.8 Ų | 85.8 | 12% | 0.115 | 49% | 0.489 | C | S | . | . | trans | -72.9 | 134.2 | 168.9 | -69.3 | 173 | 0 | 0 | 0 | 108.1 | L26 I37 L43 Y51 S55 G56 | L26-L53 HydrophobicContact CD1-CD2 3.58Å; I37-L53 HydrophobicContact CD1-CD1 3.97Å; I37-L53 HydrophobicContact CG1-CD1 4.27Å; L43-L53 HydrophobicContact CB-CD2 3.92Å; L43-L53 HydrophobicContact CB-CG 4.27Å; Y51-L53 PolarHBondContact O-N 3.35Å; L53-S55 PolarHBondContact O-N 3.29Å; L53-G56 PolarHBondContact O-N 2.92Å | ||
| 54 | S | 54.1 | Low | 59.4 | Low | 107 Ų | 107 | 91.2 Ų | 91.2 | 75% | 0.748 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.5 | 172.6 | -49 | 0 | 0 | 0 | 0 | 112.8 | ||
| 55 | S | 51.4 | Low | 57.4 | Low | 96 Ų | 96 | 97.7 Ų | 97.7 | 67% | 0.671 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 4.7 | 173.1 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | L53 | L53-S55 PolarHBondContact O-N 3.29Š|
| 56 | G | 44.3 | Very low | 55.4 | Low | 26 Ų | 26 | 103.7 Ų | 103.7 | 27% | 0.268 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -77 | 146.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L53 | L53-G56 PolarHBondContact O-N 2.92Š|
| 57 | P | 38.7 | Very low | 53.8 | Low | 48 Ų | 48 | 104.7 Ų | 104.7 | 31% | 0.312 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 138.2 | -177.8 | -5 | 19.1 | 0 | 0 | 0 | 109.7 | E59 R61 | P57-E59 PolarHBondContact O-N 3.24Å; P57-R61 HydrophobicContact CB-CB 3.75Å |
| 58 | P | 46 | Very low | 51.9 | Low | 101 Ų | 101 | 106.1 Ų | 106.1 | 66% | 0.656 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 137.1 | 169.7 | 23.7 | -31.4 | 0 | 0 | 0 | 108.6 | G60 | P58-G60 PolarHBondContact O-N 3.2Š|
| 59 | E | 45.5 | Very low | 50.2 | Low | 187 Ų | 187 | 109.1 Ų | 109.1 | 87% | 0.874 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -32.9 | 109.4 | -177 | -76.6 | 166.2 | 129.8 | 0 | 0 | 112.2 | P57 | P57-E59 PolarHBondContact O-N 3.24Š|
| 60 | G | 42.1 | Very low | 48.2 | Very low | 83 Ų | 83 | 108.3 Ų | 108.3 | 86% | 0.856 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.1 | 3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | P58 | P58-G60 PolarHBondContact O-N 3.2Š|
| 61 | R | 41.6 | Very low | 46 | Very low | 196 Ų | 196 | 109.9 Ų | 109.9 | 74% | 0.74 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -103.6 | 143.4 | 170.1 | -68.2 | -174.9 | -179.2 | -171.5 | 0.5 | 111.8 | P57 | P57-R61 HydrophobicContact CB-CB 3.75Š|
| 62 | K | 44 | Very low | 44.1 | Very low | 191 Ų | 191 | 115 Ų | 115 | 83% | 0.83 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 143.4 | -177.7 | -74 | 177.3 | 178.1 | 176.8 | 0 | 111.2 | ||
| 63 | P | 37.5 | Very low | 42.3 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 51% | 0.506 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 143.3 | 179.6 | 24.9 | -34.9 | 0 | 0 | 0 | 111.8 | Q39 Q65 | Q39-P63 WeakPolarHBondContact O-CB 3.35Å; P63-Q65 PolarHBondContact O-N 3.05Å |
| 64 | L | 41.5 | Very low | 40.8 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 61% | 0.607 | 67% | 0.671 | S | S | * | * | trans | -51.6 | 111.8 | 167.3 | -91.7 | 141.4 | 0 | 0 | 0 | 107.6 | L66 | L64-L66 PolarHBondContact O-N 3.06Å; L64-L66 VanDerWaalsContact O-N 3.11Å | ||
| 65 | Q | 40 | Very low | 39.9 | Very low | 137 Ų | 137 | 121.1 Ų | 121.1 | 64% | 0.64 | 67% | 0.669 | S | S | * | * | trans | -63.6 | 117.4 | 174.8 | -69.2 | -173 | 10 | 0 | 0 | 107.6 | P63 N67 Q68 | P63-Q65 PolarHBondContact O-N 3.05Å; Q65-N67 PolarHBondContact O-N 3.46Å; Q65-Q68 PolarHBondContact O-N 3.12Å | ||
| 66 | L | 40.2 | Very low | 38.9 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -55.5 | -14.7 | -180 | -162.3 | 66 | 0 | 0 | 0 | 112.9 | L64 Q68 L69 | L64-L66 PolarHBondContact O-N 3.06Å; L64-L66 VanDerWaalsContact O-N 3.11Å; L66-Q68 PolarHBondContact O-N 3.08Å; L66-L69 PolarHBondContact O-N 3.03Å |
| 67 | N | 40.4 | Very low | 38.4 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -71.1 | -5.1 | 179.2 | -58.7 | -2.7 | 0 | 0 | 0 | 114.3 | Q65 | Q65-N67 PolarHBondContact O-N 3.46Š|
| 68 | Q | 39.4 | Very low | 38.1 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -98.5 | -4.6 | 175.5 | -68.1 | -170.4 | -13.4 | 0 | 0 | 114.3 | Q65 L66 | Q65-Q68 PolarHBondContact O-N 3.12Å; L66-Q68 PolarHBondContact O-N 3.08Å |
| 69 | L | 38.3 | Very low | 37.4 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 57% | 0.571 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -85.8 | -5.6 | 176.6 | -93.5 | 94 | 0 | 0 | 0 | 114.5 | L66 M71 | L66-L69 PolarHBondContact O-N 3.03Å; L69-M71 VanDerWaalsContact C-N 3.26Å; L69-M71 PolarHBondContact O-N 3.05Å |
| 70 | S | 33.6 | Very low | 36.9 | Very low | 83 Ų | 83 | 140 Ų | 140 | 58% | 0.58 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -76.4 | -5.8 | 180 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 71 | M | 33.8 | Very low | 36.5 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -98.1 | 7.7 | -177.3 | -70.5 | -164.9 | 174.8 | 0 | 0 | 115.3 | L69 | L69-M71 VanDerWaalsContact C-N 3.26Å; L69-M71 PolarHBondContact O-N 3.05Å |
| 72 | I | 36.9 | Very low | 36 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -113.6 | 4.3 | -179.8 | -54.6 | 173.8 | 0 | 0 | 0 | 112 | ||
| 73 | S | 34 | Very low | 35.6 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -88.5 | -9.8 | -178.4 | -170.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 74 | D | 34.6 | Very low | 35.1 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -115.4 | 13.8 | -166 | -64.3 | -26 | 0 | 0 | 0 | 115.1 | ||
| 75 | S | 33.7 | Very low | 34.6 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -118.5 | 81.9 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 76 | N | 31.4 | Very low | 34.3 | Very low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | 161.1 | 79.5 | 153.7 | -82.4 | -22.8 | 0 | 0 | 0 | 109.4 | ||||
| 77 | N | 33.2 | Very low | 33.8 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 91% | 0.914 | 75% | 0.75 | S | S | * | * | trans | -145.8 | 69.6 | 160.3 | -85.6 | -28.7 | 0 | 0 | 0 | 108.7 | ||||
| 78 | N | 32 | Very low | 33.3 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -92.7 | 134.4 | 155.3 | -74.2 | -23.6 | 0 | 0 | 0 | 106.9 | ||||
| 79 | H | 31.4 | Very low | 32.8 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | 74.5 | 92.8 | 179.5 | -67.1 | -81.9 | 0 | 0 | 0 | 116.3 | ||||
| 80 | E | 35.9 | Very low | 32.5 | Very low | 202 Ų | 202 | 140.2 Ų | 140.2 | 94% | 0.944 | 77% | 0.767 | S | S | * | * | -169 | 148.9 | 106.8 | -103.5 | 176.5 | 166.7 | 0 | 0 | 112.8 | |||||
| 81 | K | 33.1 | Very low | 32.2 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -65.3 | 141 | -168.1 | -119 | 165.8 | 171.4 | 175.6 | 0 | 113.5 | ||||
| 82 | S | 31.1 | Very low | 32.1 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | trans | 57.1 | 118.9 | 137.5 | 68.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 83 | I | 35.7 | Very low | 31.7 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | 175.7 | 126.5 | 104.2 | -82.7 | 153.5 | 0 | 0 | 0 | 109.6 | |||||
| 84 | S | 27.7 | Very low | 31.5 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -43.6 | 136.3 | 168.2 | -154.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 85 | N | 31.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | 156.8 | 115.8 | 103.1 | -98.9 | -21.4 | 0 | 0 | 0 | 113.2 | |||||
| 86 | Q | 33.2 | Very low | 31.2 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | 61 | 129.3 | 124 | -69.3 | -167 | 14.3 | 0 | 0 | 122.7 | |||||
| 87 | N | 28.9 | Very low | 31.3 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | 93.9 | 87 | 141.4 | -59.7 | -16 | 0 | 0 | 0 | 119.2 | ||||
| 88 | S | 30.5 | Very low | 31.3 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | -176.5 | 131 | 115.8 | 23.2 | 0 | 0 | 0 | 0 | 111.9 | I90 | S88-I90 PolarHBondContact O-N 3.18Š| |||
| 89 | P | 29.1 | Very low | 31.3 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -89.4 | 101.3 | 176.6 | 33.5 | -26.9 | 0 | 0 | 0 | 109.6 | K91 | P89-K91 PolarHBondContact O-N 3.27Š| ||
| 90 | I | 31 | Very low | 31.3 | Very low | 142 Ų | 142 | 144 Ų | 144 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | trans | -76 | 110.6 | 166.9 | -63.2 | 175.7 | 0 | 0 | 0 | 107.4 | S88 I92 | S88-I90 PolarHBondContact O-N 3.18Å; I90-I92 HydrophobicContact CG2-CG1 4.17Å; I90-I92 PolarHBondContact O-N 3.22Å | ||
| 91 | K | 27.2 | Very low | 31.1 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | trans | -56.6 | 102 | 168.3 | -74.7 | 177 | 175.4 | 178 | 0 | 109.4 | P89 | P89-K91 PolarHBondContact O-N 3.27Š| ||
| 92 | I | 32 | Very low | 31.1 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | trans | -101.8 | 108.4 | 163.3 | -59 | 178.6 | 0 | 0 | 0 | 106.6 | I90 N94 | I90-I92 HydrophobicContact CG2-CG1 4.17Å; I90-I92 PolarHBondContact O-N 3.22Å; I92-N94 PolarHBondContact O-N 3.13Å | ||
| 93 | N | 28.8 | Very low | 31.3 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -67.2 | 114 | 179.5 | -156.2 | 11.2 | 0 | 0 | 0 | 108.7 | Q95 | N93-Q95 PolarHBondContact O-N 3.49Š| ||
| 94 | N | 28.8 | Very low | 31.3 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | -70.7 | 91.8 | 176.2 | -75.6 | -26.5 | 0 | 0 | 0 | 110 | I92 | I92-N94 PolarHBondContact O-N 3.13Š| ||
| 95 | Q | 32.2 | Very low | 31.8 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | trans | -108.2 | 12 | 168.7 | -92.6 | -175.7 | -17 | 0 | 0 | 113.6 | N93 N97 | N93-Q95 PolarHBondContact O-N 3.49Å; Q95-N97 VanDerWaalsContact C-N 3.26Å; Q95-N97 PolarHBondContact O-N 3.32Å | ||
| 96 | S | 31.4 | Very low | 32.2 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 4.3 | -177.5 | 38.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 97 | N | 32.9 | Very low | 32.2 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 7.6 | -179.8 | -75.5 | -11 | 0 | 0 | 0 | 115.5 | Q95 | Q95-N97 VanDerWaalsContact C-N 3.26Å; Q95-N97 PolarHBondContact O-N 3.32Å |
| 98 | Q | 32.8 | Very low | 32.6 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -103.5 | -7 | 177.4 | -71.3 | -166.4 | 4.5 | 0 | 0 | 115.2 | ||
| 99 | L | 31.7 | Very low | 32.9 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -6.8 | -174.7 | -116.8 | 127.3 | 0 | 0 | 0 | 114.7 | ||
| 100 | L | 31 | Very low | 33.4 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -11 | 177.5 | -135.3 | 92.4 | 0 | 0 | 0 | 113.7 | ||
| 101 | H | 32 | Very low | 33.6 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -98.4 | -8.3 | -176.1 | -128.4 | -57.9 | 0 | 0 | 0 | 114.5 | ||
| 102 | N | 34.6 | Very low | 34 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 55% | 0.551 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -95.3 | -6.8 | -175.8 | -79.3 | -7.2 | 0 | 0 | 0 | 114.9 | T105 I106 | N102-T105 PolarHBondContact O-OG1 3.15Å; N102-I106 VanDerWaalsContact O-CD1 3.27Å; N102-I106 WeakPolarHBondContact O-CD1 3.08Å; N102-I106 WeakPolarHBondContact O-CG1 3.49Å |
| 103 | N | 33.5 | Very low | 34.1 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -92.1 | -8.2 | 178.9 | -81.5 | -27.8 | 0 | 0 | 0 | 113.9 | ||
| 104 | Q | 37.2 | Very low | 34.4 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -90.8 | -23.3 | 173.5 | -76.9 | 178.5 | -27.8 | 0 | 0 | 112.8 | ||
| 105 | T | 38.2 | Very low | 34.7 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 46% | 0.46 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -80.5 | -20.1 | 177 | 20 | 0 | 0 | 0 | 0 | 113.8 | N102 | N102-T105 PolarHBondContact O-OG1 3.15Š|
| 106 | I | 38.2 | Very low | 34.6 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 56% | 0.559 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -22.2 | -175.6 | -64.9 | 170.8 | 0 | 0 | 0 | 112.6 | N102 | N102-I106 VanDerWaalsContact O-CD1 3.27Å; N102-I106 WeakPolarHBondContact O-CD1 3.08Å; N102-I106 WeakPolarHBondContact O-CG1 3.49Å |
| 107 | M | 34.4 | Very low | 34.7 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 77% | 0.768 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -13.1 | 175.5 | -81.3 | -66 | -143.9 | 0 | 0 | 114.1 | ||
| 108 | Q | 36.3 | Very low | 35 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -13.5 | 173.3 | -95.8 | 172 | -7.1 | 0 | 0 | 113.7 | ||
| 109 | L | 36.5 | Very low | 35.3 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -85.3 | -6.5 | -179.9 | -113.5 | 79.5 | 0 | 0 | 0 | 114.5 | ||
| 110 | L | 40.3 | Very low | 35.5 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 80% | 0.801 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -104.2 | -3.4 | -173.8 | -129 | 81.4 | 0 | 0 | 0 | 114.8 | ||
| 111 | L | 34.8 | Very low | 35.6 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -129.6 | 78.2 | 173.6 | -75.8 | 99 | 0 | 0 | 0 | 108.8 | ||
| 112 | L | 36 | Very low | 35.9 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 70% | 0.696 | 69% | 0.692 | S | S | * | * | trans | -173.8 | 111 | 162 | -123 | 67.8 | 0 | 0 | 0 | 111.3 | Y114 | L112-Y114 HydrophobicContact CD2-CG 4.4Å; L112-Y114 VanDerWaalsContact CG-CB 3.45Å | ||
| 113 | P | 34.9 | Very low | 35.9 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | -94.5 | 75.1 | 144.4 | 34.3 | -21.4 | 0 | 0 | 0 | 106.3 | ||||
| 114 | Y | 33.6 | Very low | 35.9 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | trans | -121.9 | 88.4 | -180 | -166.2 | -98 | 0 | 0 | 0 | 109.9 | L112 | L112-Y114 HydrophobicContact CD2-CG 4.4Å; L112-Y114 VanDerWaalsContact CG-CB 3.45Å | ||
| 115 | I | 36.2 | Very low | 35.8 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 64% | 0.641 | 72% | 0.718 | S | S | * | * | trans | 36.2 | 91.7 | 139.3 | -44.6 | 175.4 | 0 | 0 | 0 | 113.4 | A117 | I115-A117 HydrophobicContact CG2-CB 3.66Å; I115-A117 PolarHBondContact O-N 3.07Å | ||
| 116 | D | 30.1 | Very low | 35.4 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -70.9 | 70.3 | 158.7 | -128.1 | -23.8 | 0 | 0 | 0 | 108.5 | T118 | D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact OD1-OG1 3.5Å | ||
| 117 | A | 34.1 | Very low | 35.2 | Very low | 69 Ų | 69 | 144.7 Ų | 144.7 | 57% | 0.57 | 74% | 0.741 | S | S | * | * | trans | -101.7 | 55.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | I115 N119 | I115-A117 HydrophobicContact CG2-CB 3.66Å; I115-A117 PolarHBondContact O-N 3.07Å; A117-N119 VanDerWaalsContact C-N 3.28Å; A117-N119 PolarHBondContact O-N 3.33Å | ||
| 118 | T | 39.1 | Very low | 35.3 | Very low | 105 Ų | 105 | 144 Ų | 144 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | trans | -69.7 | 95.4 | 167.5 | 37.7 | 0 | 0 | 0 | 0 | 107.9 | D116 | D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact OD1-OG1 3.5Å | ||
| 119 | N | 37.5 | Very low | 35.4 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | 72.8 | 68.9 | 150.3 | -54 | -44.6 | 0 | 0 | 0 | 115.2 | A117 S121 | A117-N119 VanDerWaalsContact C-N 3.28Å; A117-N119 PolarHBondContact O-N 3.33Å; N119-S121 PolarHBondContact O-N 3.32Å | ||
| 120 | L | 37.1 | Very low | 35.3 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | trans | -39.2 | 112.5 | 135.9 | -111.1 | 90.1 | 0 | 0 | 0 | 107.3 | I122 | L120-I122 PolarHBondContact O-N 2.99Š| ||
| 121 | S | 31.9 | Very low | 35 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | trans | -55.6 | 119.8 | -178.6 | 72.9 | 0 | 0 | 0 | 0 | 108.5 | N119 K123 | N119-S121 PolarHBondContact O-N 3.32Å; S121-K123 PolarHBondContact O-N 3.29Å | ||
| 122 | I | 38.9 | Very low | 35 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | -62.1 | 75.4 | 153.8 | -59.5 | 170.2 | 0 | 0 | 0 | 105.8 | L120 Q124 | L120-I122 PolarHBondContact O-N 2.99Å; I122-Q124 HydrophobicContact CG2-CB 4.28Å | ||
| 123 | K | 35.8 | Very low | 35 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 81% | 0.809 | 74% | 0.743 | S | S | * | * | trans | -93.5 | 48.8 | 153.1 | -86.7 | -175.4 | 174.2 | 179.1 | 0 | 107.4 | S121 L125 | S121-K123 PolarHBondContact O-N 3.29Å; K123-L125 PolarHBondContact O-N 3.08Å | ||
| 124 | Q | 33.7 | Very low | 35.3 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | -77.6 | 80.4 | 145.8 | -87.2 | -159.8 | -13.9 | 0 | 0 | 106.8 | I122 | I122-Q124 HydrophobicContact CG2-CB 4.28Š| ||
| 125 | L | 33.6 | Very low | 35.6 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | -167.7 | 115.8 | 154 | -105.3 | 133.3 | 0 | 0 | 0 | 107.2 | K123 | K123-L125 PolarHBondContact O-N 3.08Š| ||
| 126 | R | 30.8 | Very low | 35.6 | Very low | 221 Ų | 221 | 144.2 Ų | 144.2 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | 96.4 | 107.2 | 151 | -144.4 | 167.4 | -166.8 | 171 | 3.3 | 115.6 | ||||
| 127 | N | 33.4 | Very low | 36.2 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | trans | 99.4 | 117.3 | 146.3 | -67.5 | -3.8 | 0 | 0 | 0 | 118.2 | ||||
| 128 | N | 37.6 | Very low | 36.7 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 88.7 | 94.3 | 145.8 | -55.7 | -13.1 | 0 | 0 | 0 | 114.8 | ||||
| 129 | H | 36.8 | Very low | 37.2 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | 93.8 | 110 | 88 | -131.7 | 51.2 | 0 | 0 | 0 | 109.2 | |||||
| 130 | N | 35.6 | Very low | 37.7 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | trans | 81.4 | 126.9 | 149.7 | -54.9 | -15.3 | 0 | 0 | 0 | 118.8 | ||||
| 131 | H | 34 | Very low | 38.5 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 82% | 0.815 | 72% | 0.72 | S | S | * | * | trans | 63.8 | 100.6 | 150.1 | -68.4 | -62.5 | 0 | 0 | 0 | 118 | ||||
| 132 | S | 33.8 | Very low | 39.5 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | 156.1 | 128.2 | 101.3 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | N134 | S132-N134 VanDerWaalsContact C-N 3.34Å; S132-N134 PolarHBondContact O-N 3.13Å | |||
| 133 | M | 37.4 | Very low | 40.3 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 93% | 0.926 | 72% | 0.724 | S | S | * | * | trans | -61.3 | 95.5 | 163.5 | -75.8 | -88.4 | -150.7 | 0 | 0 | 108 | ||||
| 134 | N | 39.9 | Very low | 41.5 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | trans | -106.5 | 81.2 | 167.3 | -114.9 | -17 | 0 | 0 | 0 | 108.9 | S132 I136 | S132-N134 VanDerWaalsContact C-N 3.34Å; S132-N134 PolarHBondContact O-N 3.13Å; N134-I136 PolarHBondContact O-N 3.27Å; N134-I136 VanDerWaalsContact O-N 3.08Å | ||
| 135 | L | 39.6 | Very low | 43.4 | Very low | 168 Ų | 168 | 136 Ų | 136 | 88% | 0.88 | 70% | 0.695 | S | S | * | * | trans | -77.3 | 53.1 | 166.4 | -162.4 | 88.1 | 0 | 0 | 0 | 109.2 | ||||
| 136 | I | 36.4 | Very low | 45.9 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 62% | 0.621 | 68% | 0.676 | S | S | * | * | trans | -151.2 | 102.3 | -177.5 | -52.9 | 178.6 | 0 | 0 | 0 | 109.3 | N134 | N134-I136 PolarHBondContact O-N 3.27Å; N134-I136 VanDerWaalsContact O-N 3.08Å | ||
| 137 | H | 42.5 | Very low | 48.7 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 58% | 0.579 | 67% | 0.67 | S | S | * | * | trans | 179.4 | 62.1 | 135.9 | -108.4 | -68.7 | 0 | 0 | 0 | 110.9 | N139 D140 | H137-N139 PolarHBondContact O-N 2.94Å; H137-D140 IonicContact CE1-OD1 3.73Å; H137-D140 PolarHBondContact CE1-OD1 3.37Å; H137-D140 IonicContact CE1-OD2 3.77Å; H137-D140 PolarHBondContact CE1-OD2 3.01Å; H137-D140 VanDerWaalsContact CE1-OD2 3.3Å; H137-D140 IonicContact CG-OD2 3.1Å; H137-D140 IonicContact ND1-OD1 3.3Å; H137-D140 PolarHBondContact ND1-OD1 3.06Å; H137-D140 IonicContact ND1-OD2 3.94Å; H137-D140 PolarHBondContact ND1-OD2 3.37Å; H137-D140 VanDerWaalsContact ND1-OD2 3.08Å; H137-D140 IonicContact NE2-OD2 3.63Å | ||
| 138 | S | 45.4 | Very low | 51.5 | Low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -77.8 | 0.7 | 168.6 | -39.9 | 0 | 0 | 0 | 0 | 113 | ||
| 139 | N | 49.4 | Very low | 54 | Low | 120 Ų | 120 | 128.1 Ų | 128.1 | 64% | 0.642 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -101.8 | -12.9 | -173.3 | -75.3 | -7.7 | 0 | 0 | 0 | 114.3 | H137 L142 | H137-N139 PolarHBondContact O-N 2.94Å; N139-L142 PolarHBondContact O-N 2.98Å |
| 140 | D | 48.2 | Very low | 56.6 | Low | 92 Ų | 92 | 123.6 Ų | 123.6 | 49% | 0.492 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | -14.8 | -176.5 | -71.9 | 4.3 | 0 | 0 | 0 | 113 | H137 L142 Y143 | H137-D140 IonicContact CE1-OD1 3.73Å; H137-D140 PolarHBondContact CE1-OD1 3.37Å; H137-D140 IonicContact CE1-OD2 3.77Å; H137-D140 PolarHBondContact CE1-OD2 3.01Å; H137-D140 VanDerWaalsContact CE1-OD2 3.3Å; H137-D140 IonicContact CG-OD2 3.1Å; H137-D140 IonicContact ND1-OD1 3.3Å; H137-D140 PolarHBondContact ND1-OD1 3.06Å; H137-D140 IonicContact ND1-OD2 3.94Å; H137-D140 PolarHBondContact ND1-OD2 3.37Å; H137-D140 VanDerWaalsContact ND1-OD2 3.08Å; H137-D140 IonicContact NE2-OD2 3.63Å; D140-L142 VanDerWaalsContact C-N 3.26Å; D140-L142 PolarHBondContact O-N 3.49Å; D140-Y143 PolarHBondContact O-N 3.37Å |
| 141 | T | 53.4 | Low | 59.3 | Low | 99 Ų | 99 | 122.9 Ų | 122.9 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -13.6 | 173.2 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | T144 | T141-T144 PolarHBondContact O-OG1 3.05Š|
| 142 | L | 52.6 | Low | 62.2 | Low | 117 Ų | 117 | 120.8 Ų | 120.8 | 61% | 0.613 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -24.8 | 174.1 | -82.6 | 163.1 | 0 | 0 | 0 | 112.3 | N139 D140 I145 | N139-L142 PolarHBondContact O-N 2.98Å; D140-L142 VanDerWaalsContact C-N 3.26Å; D140-L142 PolarHBondContact O-N 3.49Å; L142-I145 HydrophobicContact CD2-CD1 3.88Å |
| 143 | Y | 55.3 | Low | 65.1 | Low | 224 Ų | 224 | 119.7 Ų | 119.7 | 88% | 0.878 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -13.9 | -178.1 | -130 | -86.6 | 0 | 0 | 0 | 113.9 | D140 I145 | D140-Y143 PolarHBondContact O-N 3.37Å; Y143-I145 VanDerWaalsContact C-N 3.35Å |
| 144 | T | 62.4 | Low | 67.9 | Low | 113 Ų | 113 | 115.1 Ų | 115.1 | 69% | 0.693 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 2.9 | 175.8 | 52 | 0 | 0 | 0 | 0 | 113.3 | T141 N146 | T141-T144 PolarHBondContact O-OG1 3.05Å; T144-N146 PolarHBondContact O-N 3.39Å; T144-N146 VanDerWaalsContact O-N 3.07Å |
| 145 | I | 74.1 | Confident | 70.5 | Confident | 62 Ų | 62 | 113 Ų | 113 | 32% | 0.318 | 58% | 0.577 | S | S | . | * | trans | -67.9 | 110.3 | 175.9 | -65.8 | 179.4 | 0 | 0 | 0 | 108.9 | L142 Y143 W147 I150 | L142-I145 HydrophobicContact CD2-CD1 3.88Å; Y143-I145 VanDerWaalsContact C-N 3.35Å; I145-W147 PolarHBondContact O-N 2.99Å; I145-I150 HydrophobicContact CG2-CD1 3.15Å; I145-I150 HydrophobicContact CG2-CG1 3.98Å | ||
| 146 | N | 86.2 | Confident | 73.2 | Confident | 81 Ų | 81 | 108.6 Ų | 108.6 | 43% | 0.433 | 55% | 0.553 | S | S | . | * | trans | -71 | 94.4 | 174.4 | -170.9 | -17.4 | 0 | 0 | 0 | 109.4 | T144 N148 I149 I150 | T144-N146 PolarHBondContact O-N 3.39Å; T144-N146 VanDerWaalsContact O-N 3.07Å; N146-N148 PolarHBondContact O-N 3.19Å; N146-N148 VanDerWaalsContact O-N 3.09Å; N146-N148 WeakPolarHBondContact OD1-CB 3.34Å; N146-N148 PolarHBondContact OD1-N 2.91Å; N146-N148 VanDerWaalsContact OD1-N 3.16Å; N146-I149 HydrophobicContact CB-CB 4.23Å; N146-I149 HydrophobicContact CB-CD1 3.77Å; N146-I149 HydrophobicContact CB-CG1 3.9Å; N146-I149 WeakPolarHBondContact ND2-CD1 3.35Å; N146-I149 WeakPolarHBondContact O-CB 3.38Å; N146-I149 PolarHBondContact O-N 3.47Å; N146-I150 PolarHBondContact O-N 2.98Å | ||
| 147 | W | 88.9 | Confident | 76 | Confident | 188 Ų | 188 | 106 Ų | 106 | 71% | 0.712 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -52.5 | -29.7 | 177.7 | -76.4 | 103.6 | 0 | 0 | 0 | 113.3 | I145 I150 L151 | I145-W147 PolarHBondContact O-N 2.99Å; W147-I150 PolarHBondContact O-N 3.15Å; W147-L151 VanDerWaalsContact O-CB 3.25Å; W147-L151 WeakPolarHBondContact O-CB 3.3Å; W147-L151 PolarHBondContact O-N 3.19Å |
| 148 | N | 91.7 | Very high | 78.6 | Confident | 126 Ų | 126 | 103.5 Ų | 103.5 | 67% | 0.674 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.1 | -37 | 175.9 | -62.8 | -29.5 | 0 | 0 | 0 | 111.9 | N146 F152 | N146-N148 PolarHBondContact O-N 3.19Å; N146-N148 VanDerWaalsContact O-N 3.09Å; N146-N148 WeakPolarHBondContact OD1-CB 3.34Å; N146-N148 PolarHBondContact OD1-N 2.91Å; N146-N148 VanDerWaalsContact OD1-N 3.16Å; N148-F152 VanDerWaalsContact O-CB 3.27Å; N148-F152 WeakPolarHBondContact O-CB 3.43Å; N148-F152 PolarHBondContact O-N 3.46Å |
| 149 | I | 90.3 | Very high | 81 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 46% | 0.456 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -47.3 | 175.5 | -63.4 | 177.4 | 0 | 0 | 0 | 109.3 | N146 L151 F152 T153 | N146-I149 HydrophobicContact CB-CB 4.23Å; N146-I149 HydrophobicContact CB-CD1 3.77Å; N146-I149 HydrophobicContact CB-CG1 3.9Å; N146-I149 WeakPolarHBondContact ND2-CD1 3.35Å; N146-I149 WeakPolarHBondContact O-CB 3.38Å; N146-I149 PolarHBondContact O-N 3.47Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 3.13Å; I149-F152 PolarHBondContact O-N 3.49Å; I149-T153 WeakPolarHBondContact O-CB 3.42Å; I149-T153 PolarHBondContact O-N 3.13Å; I149-T153 PolarHBondContact O-OG1 2.92Å |
| 150 | I | 91.4 | Very high | 83.2 | Confident | 65 Ų | 65 | 100.5 Ų | 100.5 | 33% | 0.333 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.2 | -47 | 177.5 | -67 | -169.3 | 0 | 0 | 0 | 111.1 | I145 N146 W147 F152 T153 I154 | I145-I150 HydrophobicContact CG2-CD1 3.15Å; I145-I150 HydrophobicContact CG2-CG1 3.98Å; N146-I150 PolarHBondContact O-N 2.98Å; W147-I150 PolarHBondContact O-N 3.15Å; I150-F152 VanDerWaalsContact C-N 3.35Å; I150-F152 PolarHBondContact O-N 3.42Å; I150-T153 PolarHBondContact O-N 3.17Å; I150-I154 HydrophobicContact CG2-CD1 3.74Å; I150-I154 HydrophobicContact CG2-CG1 4.38Å; I150-I154 VanDerWaalsContact O-CG1 3.3Å; I150-I154 WeakPolarHBondContact O-CG1 3.44Å; I150-I154 PolarHBondContact O-N 2.93Å |
| 151 | L | 93.4 | Very high | 85.4 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 178.4 | -177.3 | 67 | 0 | 0 | 0 | 111.3 | W147 I149 T153 I154 I155 | W147-L151 VanDerWaalsContact O-CB 3.25Å; W147-L151 WeakPolarHBondContact O-CB 3.3Å; W147-L151 PolarHBondContact O-N 3.19Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 3.13Å; L151-T153 PolarHBondContact O-N 3.01Å; L151-I154 PolarHBondContact O-N 2.87Å; L151-I155 HydrophobicContact CD1-CD1 4.36Å; L151-I155 HydrophobicContact CG-CD1 3.99Å; L151-I155 VanDerWaalsContact O-CG1 3.26Å; L151-I155 WeakPolarHBondContact O-CG1 3.35Å; L151-I155 PolarHBondContact O-N 3.45Å |
| 152 | F | 93.7 | Very high | 87.5 | Confident | 132 Ų | 132 | 99.8 Ų | 99.8 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 177 | -174.6 | -109.1 | 0 | 0 | 0 | 112.1 | N148 I149 I150 I155 I156 | N148-F152 VanDerWaalsContact O-CB 3.27Å; N148-F152 WeakPolarHBondContact O-CB 3.43Å; N148-F152 PolarHBondContact O-N 3.46Å; I149-F152 PolarHBondContact O-N 3.49Å; I150-F152 VanDerWaalsContact C-N 3.35Å; I150-F152 PolarHBondContact O-N 3.42Å; F152-I155 PolarHBondContact O-N 3.18Å; F152-I156 HydrophobicContact CD1-CD1 3.64Å; F152-I156 HydrophobicContact CD1-CG1 4.5Å; F152-I156 HydrophobicContact CD2-CD1 4.43Å; F152-I156 HydrophobicContact CE1-CD1 3.14Å; F152-I156 HydrophobicContact CE1-CG1 4.28Å; F152-I156 HydrophobicContact CE2-CD1 4.01Å; F152-I156 HydrophobicContact CE2-CG1 4.46Å; F152-I156 HydrophobicContact CG-CD1 4.28Å; F152-I156 HydrophobicContact CZ-CD1 3.37Å; F152-I156 HydrophobicContact CZ-CG1 4.27Å; F152-I156 WeakPolarHBondContact O-CG1 3.33Å; F152-I156 PolarHBondContact O-N 3.06Å |
| 153 | T | 94.7 | Very high | 89.5 | Confident | 74 Ų | 74 | 97.2 Ų | 97.2 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 174.7 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | I149 I150 L151 I156 S157 | I149-T153 WeakPolarHBondContact O-CB 3.42Å; I149-T153 PolarHBondContact O-N 3.13Å; I149-T153 PolarHBondContact O-OG1 2.92Å; I150-T153 PolarHBondContact O-N 3.17Å; L151-T153 PolarHBondContact O-N 3.01Å; T153-I156 PolarHBondContact O-N 3.35Å; T153-S157 WeakPolarHBondContact O-CB 3.2Å; T153-S157 PolarHBondContact O-N 3.45Å |
| 154 | I | 95.4 | Very high | 91.4 | Very high | 93 Ų | 93 | 92.3 Ų | 92.3 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 175.6 | -68 | 168 | 0 | 0 | 0 | 110.6 | I150 L151 S157 T158 | I150-I154 HydrophobicContact CG2-CD1 3.74Å; I150-I154 HydrophobicContact CG2-CG1 4.38Å; I150-I154 VanDerWaalsContact O-CG1 3.3Å; I150-I154 WeakPolarHBondContact O-CG1 3.44Å; I150-I154 PolarHBondContact O-N 2.93Å; L151-I154 PolarHBondContact O-N 2.87Å; I154-S157 PolarHBondContact O-N 3.22Å; I154-T158 HydrophobicContact CG2-CG2 4.45Å; I154-T158 VanDerWaalsContact O-CG2 3.31Å; I154-T158 WeakPolarHBondContact O-CG2 3.15Å; I154-T158 PolarHBondContact O-N 3.12Å; I154-T158 PolarHBondContact O-OG1 2.88Å; I154-T158 VanDerWaalsContact O-OG1 3.04Å |
| 155 | I | 95.3 | Very high | 93 | Very high | 79 Ų | 79 | 91 Ų | 91 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 177.7 | -68.2 | 165.8 | 0 | 0 | 0 | 110.8 | L151 F152 S157 T158 I159 | L151-I155 HydrophobicContact CD1-CD1 4.36Å; L151-I155 HydrophobicContact CG-CD1 3.99Å; L151-I155 VanDerWaalsContact O-CG1 3.26Å; L151-I155 WeakPolarHBondContact O-CG1 3.35Å; L151-I155 PolarHBondContact O-N 3.45Å; F152-I155 PolarHBondContact O-N 3.18Å; I155-S157 VanDerWaalsContact C-N 3.35Å; I155-S157 PolarHBondContact O-N 2.85Å; I155-T158 PolarHBondContact O-N 3.13Å; I155-T158 PolarHBondContact O-OG1 2.99Å; I155-I159 HydrophobicContact CG2-CD1 3.81Å; I155-I159 VanDerWaalsContact O-CG1 3.29Å; I155-I159 WeakPolarHBondContact O-CG1 3.43Å; I155-I159 PolarHBondContact O-N 3.44Å |
| 156 | I | 95.6 | Very high | 94 | Very high | 74 Ų | 74 | 92.9 Ų | 92.9 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 176.9 | -69.1 | 177.1 | 0 | 0 | 0 | 111.2 | F152 T153 T158 I159 T160 | F152-I156 HydrophobicContact CD1-CD1 3.64Å; F152-I156 HydrophobicContact CD1-CG1 4.5Å; F152-I156 HydrophobicContact CD2-CD1 4.43Å; F152-I156 HydrophobicContact CE1-CD1 3.14Å; F152-I156 HydrophobicContact CE1-CG1 4.28Å; F152-I156 HydrophobicContact CE2-CD1 4.01Å; F152-I156 HydrophobicContact CE2-CG1 4.46Å; F152-I156 HydrophobicContact CG-CD1 4.28Å; F152-I156 HydrophobicContact CZ-CD1 3.37Å; F152-I156 HydrophobicContact CZ-CG1 4.27Å; F152-I156 WeakPolarHBondContact O-CG1 3.33Å; F152-I156 PolarHBondContact O-N 3.06Å; T153-I156 PolarHBondContact O-N 3.35Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 2.94Å; I156-I159 PolarHBondContact O-N 3.27Å; I156-T160 HydrophobicContact CG2-CG2 4.07Å; I156-T160 WeakPolarHBondContact O-CB 3.33Å; I156-T160 VanDerWaalsContact O-CG2 3.29Å; I156-T160 WeakPolarHBondContact O-CG2 3.36Å; I156-T160 PolarHBondContact O-N 3.03Å; I156-T160 PolarHBondContact O-OG1 3.28Å |
| 157 | S | 96 | Very high | 94.4 | Very high | 66 Ų | 66 | 93.5 Ų | 93.5 | 46% | 0.462 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | T153 I154 I155 T160 L161 | T153-S157 WeakPolarHBondContact O-CB 3.2Å; T153-S157 PolarHBondContact O-N 3.45Å; I154-S157 PolarHBondContact O-N 3.22Å; I155-S157 VanDerWaalsContact C-N 3.35Å; I155-S157 PolarHBondContact O-N 2.85Å; S157-T160 WeakPolarHBondContact CA-OG1 3.48Å; S157-T160 PolarHBondContact O-OG1 3Å; S157-L161 WeakPolarHBondContact O-CB 3.25Å; S157-L161 PolarHBondContact O-N 2.83Å |
| 158 | T | 96.6 | Very high | 94.7 | Very high | 74 Ų | 74 | 89.4 Ų | 89.4 | 45% | 0.454 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 176.5 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | I154 I155 I156 L161 V162 | I154-T158 HydrophobicContact CG2-CG2 4.45Å; I154-T158 VanDerWaalsContact O-CG2 3.31Å; I154-T158 WeakPolarHBondContact O-CG2 3.15Å; I154-T158 PolarHBondContact O-N 3.12Å; I154-T158 PolarHBondContact O-OG1 2.88Å; I154-T158 VanDerWaalsContact O-OG1 3.04Å; I155-T158 PolarHBondContact O-N 3.13Å; I155-T158 PolarHBondContact O-OG1 2.99Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 2.94Å; T158-L161 PolarHBondContact O-N 2.81Å; T158-V162 VanDerWaalsContact O-CG2 3.29Å; T158-V162 WeakPolarHBondContact O-CG2 3.33Å; T158-V162 PolarHBondContact O-N 3.11Å |
| 159 | I | 95.7 | Very high | 94.9 | Very high | 97 Ų | 97 | 88.6 Ų | 88.6 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 176.7 | -66.7 | 166.7 | 0 | 0 | 0 | 110.9 | I155 I156 L161 V162 C163 | I155-I159 HydrophobicContact CG2-CD1 3.81Å; I155-I159 VanDerWaalsContact O-CG1 3.29Å; I155-I159 WeakPolarHBondContact O-CG1 3.43Å; I155-I159 PolarHBondContact O-N 3.44Å; I156-I159 PolarHBondContact O-N 3.27Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 2.94Å; I159-V162 PolarHBondContact O-N 2.96Å; I159-C163 PolarHBondContact O-N 3.41Å; I159-C163 PolarHBondContact O-SG 2.78Å; I159-C163 VanDerWaalsContact O-SG 3.36Å |
| 160 | T | 95.9 | Very high | 95 | Very high | 64 Ų | 64 | 89.3 Ų | 89.3 | 39% | 0.393 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 179 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | I156 S157 C163 H164 | I156-T160 HydrophobicContact CG2-CG2 4.07Å; I156-T160 WeakPolarHBondContact O-CB 3.33Å; I156-T160 VanDerWaalsContact O-CG2 3.29Å; I156-T160 WeakPolarHBondContact O-CG2 3.36Å; I156-T160 PolarHBondContact O-N 3.03Å; I156-T160 PolarHBondContact O-OG1 3.28Å; S157-T160 WeakPolarHBondContact CA-OG1 3.48Å; S157-T160 PolarHBondContact O-OG1 3Å; T160-C163 PolarHBondContact O-N 3.49Å; T160-H164 WeakPolarHBondContact O-CB 3.28Å; T160-H164 PolarHBondContact O-N 3Å |
| 161 | L | 95.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 90.8 Ų | 90.8 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 174.3 | -175.8 | 152.9 | 0 | 0 | 0 | 111.4 | S157 T158 I159 C163 H164 I165 | S157-L161 WeakPolarHBondContact O-CB 3.25Å; S157-L161 PolarHBondContact O-N 2.83Å; T158-L161 PolarHBondContact O-N 2.81Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 2.94Å; L161-C163 PolarHBondContact O-N 3.26Å; L161-H164 PolarHBondContact O-N 3.41Å; L161-I165 HydrophobicContact CD2-CD1 3.47Å; L161-I165 VanDerWaalsContact CD2-CD1 3.47Å; L161-I165 HydrophobicContact CD2-CG1 4.25Å; L161-I165 HydrophobicContact CG-CD1 4.47Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-I165 PolarHBondContact O-N 3.36Å |
| 162 | V | 96.4 | Very high | 95 | Very high | 78 Ų | 78 | 89.1 Ų | 89.1 | 47% | 0.473 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | T158 I159 H164 I165 I166 | T158-V162 VanDerWaalsContact O-CG2 3.29Å; T158-V162 WeakPolarHBondContact O-CG2 3.33Å; T158-V162 PolarHBondContact O-N 3.11Å; I159-V162 PolarHBondContact O-N 2.96Å; V162-H164 VanDerWaalsContact C-N 3.34Å; V162-H164 PolarHBondContact O-N 2.98Å; V162-I165 PolarHBondContact O-N 3.01Å; V162-I166 HydrophobicContact CG1-CD1 3.84Å; V162-I166 VanDerWaalsContact O-CG1 3.31Å; V162-I166 WeakPolarHBondContact O-CG1 3.44Å; V162-I166 PolarHBondContact O-N 3.31Å |
| 163 | C | 95.3 | Very high | 95 | Very high | 64 Ų | 64 | 90.6 Ų | 90.6 | 43% | 0.432 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 175.3 | -71 | 0 | 0 | 0 | 0 | 112.1 | I159 T160 L161 I166 L167 | I159-C163 PolarHBondContact O-N 3.41Å; I159-C163 PolarHBondContact O-SG 2.78Å; I159-C163 VanDerWaalsContact O-SG 3.36Å; T160-C163 PolarHBondContact O-N 3.49Å; L161-C163 PolarHBondContact O-N 3.26Å; C163-I166 PolarHBondContact O-N 2.88Å; C163-L167 VanDerWaalsContact O-CG 3.3Å; C163-L167 WeakPolarHBondContact O-CG 3.25Å; C163-L167 PolarHBondContact O-N 3.38Å |
| 164 | H | 95.3 | Very high | 94.8 | Very high | 121 Ų | 121 | 93.1 Ų | 93.1 | 56% | 0.56 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 176.3 | -78.9 | -10.2 | 0 | 0 | 0 | 112.7 | T160 L161 V162 I166 L167 I168 | T160-H164 WeakPolarHBondContact O-CB 3.28Å; T160-H164 PolarHBondContact O-N 3Å; L161-H164 PolarHBondContact O-N 3.41Å; V162-H164 VanDerWaalsContact C-N 3.34Å; V162-H164 PolarHBondContact O-N 2.98Å; H164-I166 PolarHBondContact O-N 2.81Å; H164-L167 PolarHBondContact O-N 3.34Å; H164-I168 VanDerWaalsContact O-CG1 3.25Å; H164-I168 WeakPolarHBondContact O-CG1 3.33Å; H164-I168 PolarHBondContact O-N 2.83Å |
| 165 | I | 95.3 | Very high | 94.4 | Very high | 85 Ų | 85 | 94 Ų | 94 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 174.8 | -68.3 | 175.1 | 0 | 0 | 0 | 110.6 | L161 V162 L167 I168 I169 | L161-I165 HydrophobicContact CD2-CD1 3.47Å; L161-I165 VanDerWaalsContact CD2-CD1 3.47Å; L161-I165 HydrophobicContact CD2-CG1 4.25Å; L161-I165 HydrophobicContact CG-CD1 4.47Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-I165 PolarHBondContact O-N 3.36Å; V162-I165 PolarHBondContact O-N 3.01Å; I165-L167 VanDerWaalsContact C-N 3.33Å; I165-L167 PolarHBondContact O-N 3.37Å; I165-I168 PolarHBondContact O-N 3.14Å; I165-I169 HydrophobicContact CG2-CD1 3.75Å; I165-I169 HydrophobicContact CG2-CG1 4.4Å; I165-I169 VanDerWaalsContact O-CG1 3.3Å; I165-I169 WeakPolarHBondContact O-CG1 3.25Å; I165-I169 PolarHBondContact O-N 3.02Å |
| 166 | I | 95.5 | Very high | 93.9 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 178 | -67.4 | 166.5 | 0 | 0 | 0 | 110.9 | V162 C163 H164 I169 F170 | V162-I166 HydrophobicContact CG1-CD1 3.84Å; V162-I166 VanDerWaalsContact O-CG1 3.31Å; V162-I166 WeakPolarHBondContact O-CG1 3.44Å; V162-I166 PolarHBondContact O-N 3.31Å; C163-I166 PolarHBondContact O-N 2.88Å; H164-I166 PolarHBondContact O-N 2.81Å; I166-I169 PolarHBondContact O-N 3.15Å; I166-F170 WeakPolarHBondContact O-CB 3.25Å; I166-F170 PolarHBondContact O-N 2.61Å |
| 167 | L | 94.5 | Very high | 92.9 | Very high | 94 Ų | 94 | 96 Ų | 96 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.8 | -73.3 | 173.3 | 0 | 0 | 0 | 112.1 | C163 H164 I165 F170 L171 | C163-L167 VanDerWaalsContact O-CG 3.3Å; C163-L167 WeakPolarHBondContact O-CG 3.25Å; C163-L167 PolarHBondContact O-N 3.38Å; H164-L167 PolarHBondContact O-N 3.34Å; I165-L167 VanDerWaalsContact C-N 3.33Å; I165-L167 PolarHBondContact O-N 3.37Å; L167-F170 PolarHBondContact O-N 3.26Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 2.91Å |
| 168 | I | 95.2 | Very high | 91.8 | Very high | 103 Ų | 103 | 97.5 Ų | 97.5 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.6 | -68.6 | 164.5 | 0 | 0 | 0 | 110.5 | H164 I165 L171 S172 | H164-I168 VanDerWaalsContact O-CG1 3.25Å; H164-I168 WeakPolarHBondContact O-CG1 3.33Å; H164-I168 PolarHBondContact O-N 2.83Å; I165-I168 PolarHBondContact O-N 3.14Å; I168-L171 PolarHBondContact O-N 3.04Å; I168-S172 VanDerWaalsContact O-CB 3.25Å; I168-S172 WeakPolarHBondContact O-CB 3.48Å; I168-S172 PolarHBondContact O-N 3.36Å; I168-S172 PolarHBondContact O-OG 3.34Å |
| 169 | I | 94.8 | Very high | 90.7 | Very high | 109 Ų | 109 | 99.2 Ų | 99.2 | 56% | 0.559 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.3 | -45.6 | 176.2 | -67.8 | 168 | 0 | 0 | 0 | 110.3 | I165 I166 S172 W173 | I165-I169 HydrophobicContact CG2-CD1 3.75Å; I165-I169 HydrophobicContact CG2-CG1 4.4Å; I165-I169 VanDerWaalsContact O-CG1 3.3Å; I165-I169 WeakPolarHBondContact O-CG1 3.25Å; I165-I169 PolarHBondContact O-N 3.02Å; I166-I169 PolarHBondContact O-N 3.15Å; I169-S172 PolarHBondContact O-N 3.05Å; I169-W173 WeakPolarHBondContact O-CB 3.37Å; I169-W173 PolarHBondContact O-N 3.47Å |
| 170 | F | 94.2 | Very high | 89.6 | Confident | 104 Ų | 104 | 100.4 Ų | 100.4 | 46% | 0.456 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 179 | -176.4 | -99.3 | 0 | 0 | 0 | 112.3 | I166 L167 W173 R174 | I166-F170 WeakPolarHBondContact O-CB 3.25Å; I166-F170 PolarHBondContact O-N 2.61Å; L167-F170 PolarHBondContact O-N 3.26Å; F170-W173 HydrophobicContact CD2-CE3 4.15Å; F170-W173 HydrophobicContact CD2-CZ3 4.47Å; F170-W173 HydrophobicContact CE2-CE3 4.13Å; F170-W173 HydrophobicContact CE2-CZ3 4.06Å; F170-W173 PolarHBondContact O-N 2.71Å; F170-R174 WeakPolarHBondContact O-CB 3.26Å; F170-R174 PolarHBondContact O-N 2.84Å |
| 171 | L | 91.7 | Very high | 88.2 | Confident | 96 Ų | 96 | 105.2 Ų | 105.2 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 175.3 | -74.7 | 168.1 | 0 | 0 | 0 | 111.4 | L167 I168 W173 R174 L175 | L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 2.91Å; I168-L171 PolarHBondContact O-N 3.04Å; L171-W173 VanDerWaalsContact C-N 3.34Å; L171-W173 PolarHBondContact O-N 3.45Å; L171-R174 PolarHBondContact O-N 3.31Å; L171-L175 WeakPolarHBondContact O-CB 3.39Å; L171-L175 VanDerWaalsContact O-CG 3.25Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 2.87Å |
| 172 | S | 92.2 | Very high | 86.7 | Confident | 66 Ų | 66 | 106.1 Ų | 106.1 | 46% | 0.462 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.2 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | I168 I169 L175 H176 | I168-S172 VanDerWaalsContact O-CB 3.25Å; I168-S172 WeakPolarHBondContact O-CB 3.48Å; I168-S172 PolarHBondContact O-N 3.36Å; I168-S172 PolarHBondContact O-OG 3.34Å; I169-S172 PolarHBondContact O-N 3.05Å; S172-L175 PolarHBondContact O-N 3.16Å; S172-H176 WeakPolarHBondContact O-CB 3.33Å; S172-H176 PolarHBondContact O-N 2.85Å |
| 173 | W | 92.7 | Very high | 85 | Confident | 162 Ų | 162 | 110.6 Ų | 110.6 | 61% | 0.614 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -45.7 | 175.6 | -179.2 | 60.4 | 0 | 0 | 0 | 111.9 | I169 F170 L171 H176 H177 | I169-W173 WeakPolarHBondContact O-CB 3.37Å; I169-W173 PolarHBondContact O-N 3.47Å; F170-W173 HydrophobicContact CD2-CE3 4.15Å; F170-W173 HydrophobicContact CD2-CZ3 4.47Å; F170-W173 HydrophobicContact CE2-CE3 4.13Å; F170-W173 HydrophobicContact CE2-CZ3 4.06Å; F170-W173 PolarHBondContact O-N 2.71Å; L171-W173 VanDerWaalsContact C-N 3.34Å; L171-W173 PolarHBondContact O-N 3.45Å; W173-H176 PolarHBondContact O-N 3.48Å; W173-H177 PolarHBondContact O-N 3.41Å |
| 174 | R | 91.9 | Very high | 83.4 | Confident | 127 Ų | 127 | 114.3 Ų | 114.3 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.5 | -174.6 | 173.4 | -179.7 | 177.1 | 0.4 | 111.8 | F170 L171 H177 H178 | F170-R174 WeakPolarHBondContact O-CB 3.26Å; F170-R174 PolarHBondContact O-N 2.84Å; L171-R174 PolarHBondContact O-N 3.31Å; R174-H177 PolarHBondContact O-N 3.36Å; R174-H178 PolarHBondContact O-CD2 3.2Å; R174-H178 PolarHBondContact O-N 2.97Å |
| 175 | L | 85.7 | Confident | 81.5 | Confident | 112 Ų | 112 | 115.6 Ų | 115.6 | 59% | 0.586 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 177.1 | -75.7 | 168.3 | 0 | 0 | 0 | 111.5 | L171 S172 H177 H178 Q179 | L171-L175 WeakPolarHBondContact O-CB 3.39Å; L171-L175 VanDerWaalsContact O-CG 3.25Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 2.87Å; S172-L175 PolarHBondContact O-N 3.16Å; L175-H177 VanDerWaalsContact C-N 3.32Å; L175-H177 PolarHBondContact O-N 2.83Å; L175-H178 PolarHBondContact O-N 3.07Å; L175-Q179 WeakPolarHBondContact O-CG 3.32Å; L175-Q179 PolarHBondContact O-N 2.5Å |
| 176 | H | 85 | Confident | 79.8 | Confident | 95 Ų | 95 | 118.6 Ų | 118.6 | 44% | 0.44 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 177.3 | 178.9 | -112.2 | 0 | 0 | 0 | 112.4 | S172 W173 Q179 K180 | S172-H176 WeakPolarHBondContact O-CB 3.33Å; S172-H176 PolarHBondContact O-N 2.85Å; W173-H176 PolarHBondContact O-N 3.48Å; H176-Q179 PolarHBondContact O-N 3Å; H176-K180 WeakPolarHBondContact CE1-CE 3.36Å; H176-K180 PolarHBondContact O-N 2.91Å; H176-K180 VanDerWaalsContact O-N 3.13Å |
| 177 | H | 75.7 | Confident | 78 | Confident | 100 Ų | 100 | 120.2 Ų | 120.2 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 175.4 | -160.5 | -85.7 | 0 | 0 | 0 | 112.3 | W173 R174 L175 K180 W181 | W173-H177 PolarHBondContact O-N 3.41Å; R174-H177 PolarHBondContact O-N 3.36Å; L175-H177 VanDerWaalsContact C-N 3.32Å; L175-H177 PolarHBondContact O-N 2.83Å; H177-K180 PolarHBondContact O-N 2.92Å; H177-W181 AromaticContact CE1-CD1 3.63Å; H177-W181 AromaticContact CE1-NE1 3.58Å; H177-W181 AromaticContact ND1-CD1 3.64Å; H177-W181 PolarHBondContact O-N 3.42Å |
| 178 | H | 73.5 | Confident | 76 | Confident | 98 Ų | 98 | 123.2 Ų | 123.2 | 45% | 0.454 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.2 | -39.1 | 173.8 | -89.8 | -77.9 | 0 | 0 | 0 | 112.4 | R174 L175 K180 W181 L182 | R174-H178 PolarHBondContact O-CD2 3.2Å; R174-H178 PolarHBondContact O-N 2.97Å; L175-H178 PolarHBondContact O-N 3.07Å; H178-K180 PolarHBondContact O-N 2.95Å; H178-W181 WeakPolarHBondContact O-CB 3.24Å; H178-W181 PolarHBondContact O-N 3.31Å; H178-L182 WeakPolarHBondContact O-CG 3.14Å; H178-L182 PolarHBondContact O-N 3.39Å |
| 179 | Q | 73.2 | Confident | 74.2 | Confident | 110 Ų | 110 | 121.7 Ų | 121.7 | 51% | 0.514 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.6 | -75.7 | -179.8 | -12.5 | 0 | 0 | 111.8 | L175 H176 W181 L182 Y183 | L175-Q179 WeakPolarHBondContact O-CG 3.32Å; L175-Q179 PolarHBondContact O-N 2.5Å; H176-Q179 PolarHBondContact O-N 3Å; Q179-W181 VanDerWaalsContact C-N 3.27Å; Q179-W181 PolarHBondContact O-N 3.09Å; Q179-L182 PolarHBondContact O-N 3.05Å; Q179-L182 VanDerWaalsContact O-N 3.17Å; Q179-Y183 WeakPolarHBondContact O-CD2 3.4Å; Q179-Y183 PolarHBondContact O-N 2.87Å |
| 180 | K | 71.4 | Confident | 72.3 | Confident | 122 Ų | 122 | 121 Ų | 121 | 53% | 0.53 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 175.2 | -77 | -174.5 | 174.2 | -178.9 | 0 | 112.4 | H176 H177 H178 Q184 | H176-K180 WeakPolarHBondContact CE1-CE 3.36Å; H176-K180 PolarHBondContact O-N 2.91Å; H176-K180 VanDerWaalsContact O-N 3.13Å; H177-K180 PolarHBondContact O-N 2.92Å; H178-K180 PolarHBondContact O-N 2.95Å; K180-Q184 PolarHBondContact O-N 2.98Å |
| 181 | W | 67.3 | Low | 70.4 | Confident | 164 Ų | 164 | 121.8 Ų | 121.8 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 174.2 | -98.3 | 88.2 | 0 | 0 | 0 | 112.5 | H177 H178 Q179 Q184 Y185 | H177-W181 AromaticContact CE1-CD1 3.63Å; H177-W181 AromaticContact CE1-NE1 3.58Å; H177-W181 AromaticContact ND1-CD1 3.64Å; H177-W181 PolarHBondContact O-N 3.42Å; H178-W181 WeakPolarHBondContact O-CB 3.24Å; H178-W181 PolarHBondContact O-N 3.31Å; Q179-W181 VanDerWaalsContact C-N 3.27Å; Q179-W181 PolarHBondContact O-N 3.09Å; W181-Q184 PolarHBondContact O-N 2.77Å; W181-Y185 WeakPolarHBondContact O-CB 3.26Å; W181-Y185 PolarHBondContact O-N 2.96Å |
| 182 | L | 64.8 | Low | 68.5 | Low | 117 Ų | 117 | 120.3 Ų | 120.3 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.5 | -39.2 | 178.3 | -71.6 | 170.6 | 0 | 0 | 0 | 112.6 | H178 Q179 Y185 K186 | H178-L182 WeakPolarHBondContact O-CG 3.14Å; H178-L182 PolarHBondContact O-N 3.39Å; Q179-L182 PolarHBondContact O-N 3.05Å; Q179-L182 VanDerWaalsContact O-N 3.17Å; L182-Y185 PolarHBondContact O-N 2.87Å; L182-K186 WeakPolarHBondContact O-CB 3.3Å; L182-K186 PolarHBondContact O-N 3Å |
| 183 | Y | 60.5 | Low | 66.5 | Low | 173 Ų | 173 | 123.3 Ų | 123.3 | 68% | 0.678 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 175.9 | -92.2 | -76.7 | 0 | 0 | 0 | 112.3 | Q179 H187 | Q179-Y183 WeakPolarHBondContact O-CD2 3.4Å; Q179-Y183 PolarHBondContact O-N 2.87Å; Y183-H187 PolarHBondContact O-N 3.11Å; Y183-H187 VanDerWaalsContact O-N 3.13Å |
| 184 | Q | 60.5 | Low | 64.3 | Low | 142 Ų | 142 | 124.6 Ų | 124.6 | 66% | 0.664 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.6 | -39.2 | 176.5 | -73.3 | -172.2 | -7.9 | 0 | 0 | 112.1 | K180 W181 K186 H187 Y188 | K180-Q184 PolarHBondContact O-N 2.98Å; W181-Q184 PolarHBondContact O-N 2.77Å; Q184-K186 PolarHBondContact O-N 3.2Å; Q184-H187 PolarHBondContact O-N 3.26Å; Q184-Y188 PolarHBondContact O-N 3.35Å |
| 185 | Y | 55.9 | Low | 62.3 | Low | 147 Ų | 147 | 123.8 Ų | 123.8 | 58% | 0.576 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.6 | -41.8 | 177.7 | -165.7 | -98.2 | 0 | 0 | 0 | 111.9 | W181 L182 H187 Y188 N189 | W181-Y185 WeakPolarHBondContact O-CB 3.26Å; W181-Y185 PolarHBondContact O-N 2.96Å; L182-Y185 PolarHBondContact O-N 2.87Å; Y185-H187 PolarHBondContact O-N 3.1Å; Y185-Y188 PolarHBondContact O-N 2.92Å; Y185-N189 VanDerWaalsContact CE1-ND2 3.34Å; Y185-N189 WeakPolarHBondContact CE1-ND2 3.37Å; Y185-N189 PolarHBondContact O-N 3.39Å |
| 186 | K | 59.9 | Low | 60.5 | Low | 149 Ų | 149 | 121 Ų | 121 | 65% | 0.648 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.6 | -38 | 176.6 | -160.3 | 173.6 | -175.7 | 178.7 | 0 | 112.2 | L182 Q184 N190 | L182-K186 WeakPolarHBondContact O-CB 3.3Å; L182-K186 PolarHBondContact O-N 3Å; Q184-K186 PolarHBondContact O-N 3.2Å; K186-N190 PolarHBondContact O-N 2.9Å; K186-N190 VanDerWaalsContact O-N 3.15Å |
| 187 | H | 57.1 | Low | 58.9 | Low | 135 Ų | 135 | 120.3 Ų | 120.3 | 63% | 0.625 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.1 | -34.4 | 176.1 | -116 | -70.6 | 0 | 0 | 0 | 113.2 | Y183 Q184 Y185 H191 | Y183-H187 PolarHBondContact O-N 3.11Å; Y183-H187 VanDerWaalsContact O-N 3.13Å; Q184-H187 PolarHBondContact O-N 3.26Å; Y185-H187 PolarHBondContact O-N 3.1Å; H187-H191 PolarHBondContact O-N 3.22Å |
| 188 | Y | 53.3 | Low | 57.6 | Low | 156 Ų | 156 | 120.9 Ų | 120.9 | 61% | 0.612 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.5 | -41.1 | 177.2 | -166.5 | -100.6 | 0 | 0 | 0 | 111.9 | Q184 Y185 H191 N192 | Q184-Y188 PolarHBondContact O-N 3.35Å; Y185-Y188 PolarHBondContact O-N 2.92Å; Y188-H191 PolarHBondContact O-N 3.42Å; Y188-N192 WeakPolarHBondContact CD1-ND2 3.3Å; Y188-N192 WeakPolarHBondContact CE1-ND2 3.31Å; Y188-N192 PolarHBondContact O-N 3.3Å; Y188-N192 VanDerWaalsContact O-N 3.12Å; Y188-N192 PolarHBondContact O-ND2 2.87Å |
| 189 | N | 56.8 | Low | 56.2 | Low | 72 Ų | 72 | 117.5 Ų | 117.5 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.2 | -41 | 177.1 | -81 | -1.7 | 0 | 0 | 0 | 112.6 | Y185 H191 N192 E193 | Y185-N189 VanDerWaalsContact CE1-ND2 3.34Å; Y185-N189 WeakPolarHBondContact CE1-ND2 3.37Å; Y185-N189 PolarHBondContact O-N 3.39Å; N189-H191 VanDerWaalsContact C-N 3.28Å; N189-H191 PolarHBondContact O-N 3.33Å; N189-N192 PolarHBondContact O-N 2.99Å; N189-E193 PolarHBondContact O-N 3.47Å |
| 190 | N | 55.9 | Low | 55 | Low | 93 Ų | 93 | 117 Ų | 117 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -32.3 | 175.7 | -91.3 | -2.6 | 0 | 0 | 0 | 113.1 | K186 R194 | K186-N190 PolarHBondContact O-N 2.9Å; K186-N190 VanDerWaalsContact O-N 3.15Å; N190-R194 PolarHBondContact O-N 3.24Å |
| 191 | H | 52.8 | Low | 53.6 | Low | 122 Ų | 122 | 119.6 Ų | 119.6 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.5 | -40 | 175.3 | -120.4 | -70 | 0 | 0 | 0 | 111.6 | H187 Y188 N189 R194 L195 | H187-H191 PolarHBondContact O-N 3.22Å; Y188-H191 PolarHBondContact O-N 3.42Å; N189-H191 VanDerWaalsContact C-N 3.28Å; N189-H191 PolarHBondContact O-N 3.33Å; H191-R194 PolarHBondContact O-N 2.93Å; H191-L195 WeakPolarHBondContact O-CD1 3.21Å; H191-L195 PolarHBondContact O-N 2.92Å |
| 192 | N | 51.4 | Low | 52.6 | Low | 65 Ų | 65 | 116.4 Ų | 116.4 | 35% | 0.348 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.5 | -32.6 | 178 | -71.2 | -19.2 | 0 | 0 | 0 | 112.6 | Y188 N189 L195 A196 | Y188-N192 WeakPolarHBondContact CD1-ND2 3.3Å; Y188-N192 WeakPolarHBondContact CE1-ND2 3.31Å; Y188-N192 PolarHBondContact O-N 3.3Å; Y188-N192 VanDerWaalsContact O-N 3.12Å; Y188-N192 PolarHBondContact O-ND2 2.87Å; N189-N192 PolarHBondContact O-N 2.99Å; N192-L195 PolarHBondContact O-N 3.29Å; N192-A196 WeakPolarHBondContact O-CB 3.5Å; N192-A196 PolarHBondContact O-N 2.96Å |
| 193 | E | 50.7 | Low | 51.7 | Low | 128 Ų | 128 | 115.9 Ų | 115.9 | 60% | 0.598 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.4 | -36.3 | 176.3 | -158 | 170.8 | -165.6 | 0 | 0 | 111.8 | N189 A196 T197 | N189-E193 PolarHBondContact O-N 3.47Å; E193-A196 PolarHBondContact O-N 2.91Å; E193-T197 WeakPolarHBondContact O-CG2 3.38Å; E193-T197 PolarHBondContact O-N 2.96Å; E193-T197 PolarHBondContact O-OG1 3.43Å |
| 194 | R | 47.1 | Very low | 51.1 | Low | 189 Ų | 189 | 112.3 Ų | 112.3 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.2 | -29.8 | 169.6 | -83.4 | -176.3 | 162.1 | -176.1 | -5.1 | 113.7 | N190 H191 T197 N198 | N190-R194 PolarHBondContact O-N 3.24Å; H191-R194 PolarHBondContact O-N 2.93Å; R194-T197 WeakPolarHBondContact CA-OG1 3.31Å; R194-T197 PolarHBondContact O-OG1 3.22Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 2.89Å; R194-N198 PolarHBondContact O-ND2 3.35Å; R194-N198 VanDerWaalsContact O-ND2 3.09Å |
| 195 | L | 49.4 | Very low | 50.4 | Low | 110 Ų | 110 | 111.3 Ų | 111.3 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -78.2 | -33.1 | 174.7 | -85 | 149.1 | 0 | 0 | 0 | 112.1 | H191 N192 G199 | H191-L195 WeakPolarHBondContact O-CD1 3.21Å; H191-L195 PolarHBondContact O-N 2.92Å; N192-L195 PolarHBondContact O-N 3.29Å; L195-G199 WeakPolarHBondContact O-CA 3.13Å; L195-G199 PolarHBondContact O-N 2.9Å |
| 196 | A | 48.4 | Very low | 49.9 | Very low | 54 Ų | 54 | 108.4 Ų | 108.4 | 45% | 0.446 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.1 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N192 E193 G199 I200 | N192-A196 WeakPolarHBondContact O-CB 3.5Å; N192-A196 PolarHBondContact O-N 2.96Å; E193-A196 PolarHBondContact O-N 2.91Å; A196-G199 PolarHBondContact O-N 3.24Å; A196-I200 WeakPolarHBondContact O-CD1 3.27Å; A196-I200 VanDerWaalsContact O-CG1 3.24Å; A196-I200 WeakPolarHBondContact O-CG1 3.4Å; A196-I200 PolarHBondContact O-N 2.97Å |
| 197 | T | 51.3 | Low | 49.1 | Very low | 81 Ų | 81 | 106.3 Ų | 106.3 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 175.3 | 46.5 | 0 | 0 | 0 | 0 | 112.3 | E193 R194 Y201 | E193-T197 WeakPolarHBondContact O-CG2 3.38Å; E193-T197 PolarHBondContact O-N 2.96Å; E193-T197 PolarHBondContact O-OG1 3.43Å; R194-T197 WeakPolarHBondContact CA-OG1 3.31Å; R194-T197 PolarHBondContact O-OG1 3.22Å; T197-Y201 PolarHBondContact O-N 3.42Å |
| 198 | N | 47.6 | Very low | 48.4 | Very low | 112 Ų | 112 | 106.2 Ų | 106.2 | 60% | 0.599 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.7 | -28 | 173 | -75.2 | -29.8 | 0 | 0 | 0 | 113.5 | R194 K202 | R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 2.89Å; R194-N198 PolarHBondContact O-ND2 3.35Å; R194-N198 VanDerWaalsContact O-ND2 3.09Å; N198-K202 WeakPolarHBondContact O-CB 3.29Å; N198-K202 PolarHBondContact O-N 3.48Å |
| 199 | G | 45.6 | Very low | 48 | Very low | 26 Ų | 26 | 102.7 Ų | 102.7 | 27% | 0.268 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L195 A196 Y201 K202 D203 | L195-G199 WeakPolarHBondContact O-CA 3.13Å; L195-G199 PolarHBondContact O-N 2.9Å; A196-G199 PolarHBondContact O-N 3.24Å; G199-Y201 PolarHBondContact O-N 3.24Å; G199-K202 WeakPolarHBondContact O-CB 3.29Å; G199-K202 PolarHBondContact O-N 3Å; G199-K202 VanDerWaalsContact O-N 3.12Å; G199-D203 PolarHBondContact O-N 3.28Å |
| 200 | I | 47.6 | Very low | 47.3 | Very low | 101 Ų | 101 | 107.3 Ų | 107.3 | 52% | 0.518 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 176.1 | -65.8 | 164 | 0 | 0 | 0 | 110.8 | A196 K202 D203 I204 | A196-I200 WeakPolarHBondContact O-CD1 3.27Å; A196-I200 VanDerWaalsContact O-CG1 3.24Å; A196-I200 WeakPolarHBondContact O-CG1 3.4Å; A196-I200 PolarHBondContact O-N 2.97Å; I200-K202 VanDerWaalsContact C-N 3.3Å; I200-K202 PolarHBondContact O-N 3.44Å; I200-D203 PolarHBondContact O-N 3.41Å; I200-I204 HydrophobicContact CG2-CD1 3.77Å; I200-I204 WeakPolarHBondContact O-CB 3.43Å; I200-I204 WeakPolarHBondContact O-CD1 3.35Å; I200-I204 WeakPolarHBondContact O-CG1 3.3Å; I200-I204 PolarHBondContact O-N 2.79Å; I200-I204 VanDerWaalsContact O-N 3.08Å |
| 201 | Y | 41.3 | Very low | 46.9 | Very low | 176 Ų | 176 | 107 Ų | 107 | 69% | 0.69 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -34.5 | 172.4 | -114.4 | -89.5 | 0 | 0 | 0 | 112.6 | T197 G199 L205 | T197-Y201 PolarHBondContact O-N 3.42Å; G199-Y201 PolarHBondContact O-N 3.24Å; Y201-L205 WeakPolarHBondContact O-CB 3.25Å; Y201-L205 PolarHBondContact O-N 3.33Å; Y201-L205 VanDerWaalsContact O-N 3.07Å |
| 202 | K | 47.2 | Very low | 46.1 | Very low | 96 Ų | 96 | 103 Ų | 103 | 42% | 0.417 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69 | -42.2 | 177.4 | -119.4 | 179.4 | 176.7 | -176.8 | 0 | 112.8 | N198 G199 I200 L205 C206 | N198-K202 WeakPolarHBondContact O-CB 3.29Å; N198-K202 PolarHBondContact O-N 3.48Å; G199-K202 WeakPolarHBondContact O-CB 3.29Å; G199-K202 PolarHBondContact O-N 3Å; G199-K202 VanDerWaalsContact O-N 3.12Å; I200-K202 VanDerWaalsContact C-N 3.3Å; I200-K202 PolarHBondContact O-N 3.44Å; K202-L205 PolarHBondContact O-N 2.81Å; K202-C206 WeakPolarHBondContact O-CB 3.26Å; K202-C206 PolarHBondContact O-N 3.04Å |
| 203 | D | 45.1 | Very low | 45.6 | Very low | 106 Ų | 106 | 108.6 Ų | 108.6 | 57% | 0.567 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.5 | -33 | 179.8 | -71.5 | -16.6 | 0 | 0 | 0 | 111.5 | G199 I200 N207 | G199-D203 PolarHBondContact O-N 3.28Å; I200-D203 PolarHBondContact O-N 3.41Å; D203-N207 WeakPolarHBondContact O-CB 3.47Å; D203-N207 VanDerWaalsContact O-CG 3.26Å; D203-N207 PolarHBondContact O-N 2.89Å; D203-N207 PolarHBondContact O-ND2 3.02Å |
| 204 | I | 48.4 | Very low | 44.9 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68 | -43.3 | 173.3 | -65.7 | 165.7 | 0 | 0 | 0 | 110.9 | I200 C206 H208 | I200-I204 HydrophobicContact CG2-CD1 3.77Å; I200-I204 WeakPolarHBondContact O-CB 3.43Å; I200-I204 WeakPolarHBondContact O-CD1 3.35Å; I200-I204 WeakPolarHBondContact O-CG1 3.3Å; I200-I204 PolarHBondContact O-N 2.79Å; I200-I204 VanDerWaalsContact O-N 3.08Å; I204-C206 VanDerWaalsContact C-N 3.34Å; I204-C206 PolarHBondContact O-N 3.4Å; I204-H208 WeakPolarHBondContact O-CB 3.34Å; I204-H208 PolarHBondContact O-N 3.03Å; I204-H208 VanDerWaalsContact O-N 3.11Å |
| 205 | L | 45.1 | Very low | 44.4 | Very low | 122 Ų | 122 | 107.7 Ų | 107.7 | 64% | 0.639 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.1 | -32.8 | 179.3 | -138.1 | 76 | 0 | 0 | 0 | 112.4 | Y201 K202 | Y201-L205 WeakPolarHBondContact O-CB 3.25Å; Y201-L205 PolarHBondContact O-N 3.33Å; Y201-L205 VanDerWaalsContact O-N 3.07Å; K202-L205 PolarHBondContact O-N 2.81Å |
| 206 | C | 45.2 | Very low | 43.9 | Very low | 85 Ų | 85 | 107.5 Ų | 107.5 | 57% | 0.574 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -75.3 | -39.8 | 178.4 | -141 | 0 | 0 | 0 | 0 | 112 | K202 I204 H208 C209 E210 | K202-C206 WeakPolarHBondContact O-CB 3.26Å; K202-C206 PolarHBondContact O-N 3.04Å; I204-C206 VanDerWaalsContact C-N 3.34Å; I204-C206 PolarHBondContact O-N 3.4Å; C206-H208 VanDerWaalsContact C-N 3.33Å; C206-H208 PolarHBondContact O-N 3.46Å; C206-C209 PolarHBondContact O-N 3.35Å; C206-E210 PolarHBondContact O-N 3.38Å |
| 207 | N | 43.2 | Very low | 43.2 | Very low | 105 Ų | 105 | 109.8 Ų | 109.8 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.6 | -27.2 | 176.8 | -73.4 | -19.2 | 0 | 0 | 0 | 112.9 | D203 A211 | D203-N207 WeakPolarHBondContact O-CB 3.47Å; D203-N207 VanDerWaalsContact O-CG 3.26Å; D203-N207 PolarHBondContact O-N 2.89Å; D203-N207 PolarHBondContact O-ND2 3.02Å; N207-A211 PolarHBondContact O-N 3.44Å |
| 208 | H | 43.5 | Very low | 42.7 | Very low | 134 Ų | 134 | 114 Ų | 114 | 62% | 0.62 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.8 | -28.7 | 176.4 | -138.7 | -50.5 | 0 | 0 | 0 | 112.9 | I204 C206 S212 | I204-H208 WeakPolarHBondContact O-CB 3.34Å; I204-H208 PolarHBondContact O-N 3.03Å; I204-H208 VanDerWaalsContact O-N 3.11Å; C206-H208 VanDerWaalsContact C-N 3.33Å; C206-H208 PolarHBondContact O-N 3.46Å; H208-S212 PolarHBondContact O-OG 2.86Å |
| 209 | C | 44.2 | Very low | 42.2 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 55% | 0.554 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.9 | -29.6 | 174.2 | -83.5 | 0 | 0 | 0 | 0 | 113.4 | C206 | C206-C209 PolarHBondContact O-N 3.35Å |
| 210 | E | 43.3 | Very low | 42 | Very low | 168 Ų | 168 | 121.9 Ų | 121.9 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.9 | -23.7 | 177.2 | -109.7 | 178.1 | 172.8 | 0 | 0 | 113.2 | C206 | C206-E210 PolarHBondContact O-N 3.38Å |
| 211 | A | 45.6 | Very low | 41.8 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 72% | 0.719 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -90.9 | -7.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N207 | N207-A211 PolarHBondContact O-N 3.44Š|
| 212 | S | 37.2 | Very low | 41.7 | Very low | 39 Ų | 39 | 121.7 Ų | 121.7 | 27% | 0.273 | 64% | 0.64 | S | S | . | * | trans | -127.4 | 96.7 | -177.1 | 47.2 | 0 | 0 | 0 | 0 | 111.1 | H208 F214 I215 | H208-S212 PolarHBondContact O-OG 2.86Å; S212-F214 PolarHBondContact O-N 3.36Å; S212-I215 WeakPolarHBondContact OG-CD1 3.44Å | ||
| 213 | Q | 41.4 | Very low | 41 | Very low | 182 Ų | 182 | 120.3 Ų | 120.3 | 85% | 0.85 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -62.5 | 6.5 | -177.7 | -79 | -178 | -11.6 | 0 | 0 | 115.8 | ||
| 214 | F | 34.7 | Very low | 40.9 | Very low | 193 Ų | 193 | 119.4 Ų | 119.4 | 85% | 0.846 | 64% | 0.641 | S | S | * | * | trans | -151 | 76.1 | 179.2 | -75.1 | -85.4 | 0 | 0 | 0 | 110.4 | S212 | S212-F214 PolarHBondContact O-N 3.36Š| ||
| 215 | I | 37.5 | Very low | 40.5 | Very low | 104 Ų | 104 | 124 Ų | 124 | 53% | 0.533 | 65% | 0.654 | S | S | . | * | trans | -121.1 | 114.3 | 161 | -57.2 | -178.9 | 0 | 0 | 0 | 108.1 | S212 C217 | S212-I215 WeakPolarHBondContact OG-CD1 3.44Å; I215-C217 PolarHBondContact O-N 3.49Å | ||
| 216 | P | 39.3 | Very low | 40.4 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 69% | 0.688 | 65% | 0.649 | S | S | * | * | trans | -62.8 | 128.6 | 176.1 | 23.3 | -29.5 | 0 | 0 | 0 | 109.8 | K218 | P216-K218 PolarHBondContact O-N 2.84Š| ||
| 217 | C | 33.2 | Very low | 40 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -66.4 | 44.7 | -179 | -60.6 | 0 | 0 | 0 | 0 | 114.1 | I215 Y219 I220 | I215-C217 PolarHBondContact O-N 3.49Å; C217-Y219 VanDerWaalsContact C-N 3.31Å; C217-I220 HydrophobicContact CB-CD1 3.83Å; C217-I220 HydrophobicContact CB-CG1 4.31Å |
| 218 | K | 41.1 | Very low | 39.8 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 74% | 0.739 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -85.7 | -2.1 | 178.8 | -149.8 | 172.2 | -178.2 | 177.8 | 0 | 113.3 | P216 | P216-K218 PolarHBondContact O-N 2.84Š|
| 219 | Y | 36.1 | Very low | 39.6 | Very low | 207 Ų | 207 | 131 Ų | 131 | 81% | 0.812 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -129.6 | 14 | -176.2 | -62.6 | -75.1 | 0 | 0 | 0 | 114.8 | C217 T221 | C217-Y219 VanDerWaalsContact C-N 3.31Å; Y219-T221 VanDerWaalsContact C-N 3.33Å; Y219-T221 PolarHBondContact O-N 3.29Å |
| 220 | I | 42.6 | Very low | 39.5 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 49% | 0.492 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.7 | 42.8 | -177.5 | -44.2 | -179.9 | 0 | 0 | 0 | 111.5 | C217 C223 | C217-I220 HydrophobicContact CB-CD1 3.83Å; C217-I220 HydrophobicContact CB-CG1 4.31Å; I220-C223 HydrophobicContact CG2-CB 3.85Å |
| 221 | T | 41.8 | Very low | 39.3 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -12.6 | 173.9 | 40.5 | 0 | 0 | 0 | 0 | 113.6 | Y219 | Y219-T221 VanDerWaalsContact C-N 3.33Å; Y219-T221 PolarHBondContact O-N 3.29Å |
| 222 | D | 39.2 | Very low | 38.9 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | trans | -109.2 | 22 | -175.9 | -68.9 | -32.1 | 0 | 0 | 0 | 114.5 | P224 | D222-P224 WeakPolarHBondContact O-CD 3.27Š| ||
| 223 | C | 34.2 | Very low | 38.7 | Very low | 66 Ų | 66 | 137.7 Ų | 137.7 | 45% | 0.446 | 70% | 0.702 | S | S | . | * | trans | -82.5 | 108.5 | 178.6 | -142.2 | 0 | 0 | 0 | 0 | 110.9 | I220 Y225 V226 | I220-C223 HydrophobicContact CG2-CB 3.85Å; C223-Y225 PolarHBondContact O-N 3.29Å; C223-V226 PolarHBondContact O-N 3.5Å | ||
| 224 | P | 42.2 | Very low | 38.4 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 57% | 0.571 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 6.3 | -166.5 | -15 | 30.4 | 0 | 0 | 0 | 115.4 | D222 | D222-P224 WeakPolarHBondContact O-CD 3.27Š|
| 225 | Y | 40.8 | Very low | 38.4 | Very low | 195 Ų | 195 | 135 Ų | 135 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -11.1 | -178.1 | -91.1 | -96.4 | 0 | 0 | 0 | 114.3 | C223 | C223-Y225 PolarHBondContact O-N 3.29Š|
| 226 | V | 41.9 | Very low | 38.1 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 55% | 0.552 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -18.8 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | C223 K228 I230 | C223-V226 PolarHBondContact O-N 3.5Å; V226-K228 VanDerWaalsContact C-N 3.27Å; V226-K228 PolarHBondContact O-N 2.93Å; V226-I230 HydrophobicContact CG1-CD1 4.03Å |
| 227 | H | 37.6 | Very low | 37.8 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 58% | 0.579 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -0.2 | -174.5 | -141.3 | 48.2 | 0 | 0 | 0 | 115.3 | K231 | H227-K231 PolarHBondContact NE2-NZ 3.31Š|
| 228 | K | 38.9 | Very low | 37.6 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -7.3 | -176.9 | -132.9 | 178.4 | -175.6 | -179.3 | 0 | 116 | V226 | V226-K228 VanDerWaalsContact C-N 3.27Å; V226-K228 PolarHBondContact O-N 2.93Å |
| 229 | Q | 39 | Very low | 37 | Very low | 183 Ų | 183 | 137 Ų | 137 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -19.7 | 173 | -78.1 | -166.8 | 2.8 | 0 | 0 | 114.2 | ||
| 230 | I | 42.2 | Very low | 36.8 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 68% | 0.677 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -8.6 | -175.5 | -59.2 | 175 | 0 | 0 | 0 | 112.5 | V226 | V226-I230 HydrophobicContact CG1-CD1 4.03Š|
| 231 | K | 38.9 | Very low | 36.2 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 16.5 | -175.5 | -112.1 | 173.3 | -177.7 | 169.4 | 0 | 115.7 | H227 | H227-K231 PolarHBondContact NE2-NZ 3.31Š|
| 232 | G | 36.1 | Very low | 35.6 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -121.7 | 1.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 233 | N | 33.1 | Very low | 35.2 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | -132.9 | 60.2 | -169.6 | -136.8 | 17.5 | 0 | 0 | 0 | 112.8 | ||||
| 234 | H | 36.4 | Very low | 35.1 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | trans | -136.7 | 105.1 | 160.5 | -83.7 | -65.9 | 0 | 0 | 0 | 106.8 | ||||
| 235 | N | 35.2 | Very low | 34.7 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | 168.1 | 125.6 | 132.2 | -78.3 | -14.7 | 0 | 0 | 0 | 110.3 | ||||
| 236 | N | 31.4 | Very low | 34.4 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | 81.7 | 90.9 | 151.6 | -52.1 | -12.4 | 0 | 0 | 0 | 117.9 | ||||
| 237 | T | 31.4 | Very low | 34 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 93% | 0.933 | 76% | 0.755 | S | S | * | * | -160.5 | 107.6 | 112 | -2.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 238 | T | 30.6 | Very low | 33.8 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -84.9 | 150 | 179 | -40.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 239 | S | 27 | Very low | 33.7 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 96.5 | 111.6 | 146.3 | -31.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 240 | A | 31.5 | Very low | 33.5 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | -172.7 | 114.1 | 116 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 241 | T | 30.2 | Very low | 33.2 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | 49.3 | 134.7 | 135.7 | 42.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 242 | T | 28.8 | Very low | 33 | Very low | 126 Ų | 126 | 116 Ų | 116 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | cis | 177.7 | 138.9 | 31.5 | 9.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 243 | S | 32.7 | Very low | 32.7 | Very low | 106 Ų | 106 | 116.1 Ų | 116.1 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | 174.4 | 103.7 | 145.6 | 25.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 244 | S | 30.9 | Very low | 32.6 | Very low | 110 Ų | 110 | 114.1 Ų | 114.1 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | 49.1 | 119.5 | 99.2 | 63 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 245 | S | 33.9 | Very low | 32.6 | Very low | 101 Ų | 101 | 111.9 Ų | 111.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | 178.6 | 154.7 | 34.1 | 38.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 246 | S | 33.6 | Very low | 32.7 | Very low | 97 Ų | 97 | 110.9 Ų | 110.9 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | 57.6 | 132.9 | 147 | 59.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 247 | T | 34.6 | Very low | 32.7 | Very low | 121 Ų | 121 | 109.6 Ų | 109.6 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | cis | 179.5 | 148.7 | 17.5 | 9.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 248 | S | 34.2 | Very low | 32.7 | Very low | 106 Ų | 106 | 109.6 Ų | 109.6 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 49.4 | 134.9 | 147 | 61.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 249 | S | 35.3 | Very low | 33 | Very low | 101 Ų | 101 | 111.9 Ų | 111.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -179.7 | 151.5 | 15.1 | 33.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 250 | S | 35.5 | Very low | 33.2 | Very low | 98 Ų | 98 | 114.4 Ų | 114.4 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | 68.2 | 119.6 | 143 | 60.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 251 | S | 36.4 | Very low | 33.2 | Very low | 121 Ų | 121 | 114.9 Ų | 114.9 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | 66.6 | 132.7 | 136.5 | 60.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 252 | G | 33.5 | Very low | 33.2 | Very low | 75 Ų | 75 | 117.1 Ų | 117.1 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | 163.3 | 152.3 | 7.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 253 | G | 31.2 | Very low | 33.3 | Very low | 70 Ų | 70 | 118.1 Ų | 118.1 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 73.3 | 99.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 254 | S | 31.4 | Very low | 33.2 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | 56.9 | 102.7 | 86.3 | 74.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 255 | T | 36.4 | Very low | 33 | Very low | 127 Ų | 127 | 121.7 Ų | 121.7 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | 166.5 | 110.2 | 110 | 41.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 256 | T | 36.2 | Very low | 32.8 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | 32.1 | 116.6 | 139 | 52.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 257 | S | 32.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 62.6 | 88.8 | 137.9 | 68.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 258 | N | 31.3 | Very low | 32.4 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -96.2 | 124.7 | 150.9 | -81.3 | -22.2 | 0 | 0 | 0 | 108.4 | ||||
| 259 | H | 36.9 | Very low | 32.2 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | 66.2 | 119.7 | 90.8 | -105.9 | -58.5 | 0 | 0 | 0 | 113.9 | S261 | H259-S261 PolarHBondContact O-N 3.45Š| |||
| 260 | N | 29.7 | Very low | 31.8 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -41.4 | 126 | 162.8 | -75.6 | -21.2 | 0 | 0 | 0 | 111.7 | ||||
| 261 | S | 33.2 | Very low | 31.5 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -158.7 | 112.3 | 151 | 51.9 | 0 | 0 | 0 | 0 | 109.6 | H259 I263 | H259-S261 PolarHBondContact O-N 3.45Å; S261-I263 PolarHBondContact O-N 3.49Å | ||
| 262 | N | 30 | Very low | 31.1 | Very low | 172 Ų | 172 | 135 Ų | 135 | 92% | 0.92 | 78% | 0.776 | S | S | * | * | trans | -53.9 | 115.4 | 157.2 | -76.8 | -33.1 | 0 | 0 | 0 | 108.8 | ||||
| 263 | I | 31.1 | Very low | 30.9 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -141 | 112.9 | 156.8 | -63.8 | -174.5 | 0 | 0 | 0 | 106.5 | S261 | S261-I263 PolarHBondContact O-N 3.49Š| ||
| 264 | M | 29.4 | Very low | 30.9 | Very low | 156 Ų | 156 | 142 Ų | 142 | 77% | 0.768 | 78% | 0.778 | S | S | * | * | trans | -64.7 | 138.8 | 161.4 | -75.9 | -154.8 | -70.5 | 0 | 0 | 108.2 | ||||
| 265 | D | 27.4 | Very low | 30.7 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | 179.5 | 158.4 | 120.3 | -89.2 | -25.5 | 0 | 0 | 0 | 112.5 | |||||
| 266 | Y | 30.4 | Very low | 30.4 | Very low | 205 Ų | 205 | 142 Ų | 142 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 104.3 | 84.8 | 164.6 | -63.7 | -78.4 | 0 | 0 | 0 | 118 | ||||
| 267 | N | 26.6 | Very low | 29.9 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | 31.2 | 115.6 | 117.6 | -98.6 | -14 | 0 | 0 | 0 | 116.9 | |||||
| 268 | T | 31.7 | Very low | 29.8 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -162.7 | 110.9 | 130.4 | 16.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 269 | Q | 30.4 | Very low | 29.7 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | 50 | 102.6 | 135.5 | -75 | 168.4 | 3.1 | 0 | 0 | 119 | ||||
| 270 | T | 26.9 | Very low | 29.4 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 40.4 | 102.5 | 123.4 | 53.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 271 | L | 28.9 | Very low | 29.4 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | -154.5 | 131.6 | 140.5 | -121.4 | 91.9 | 0 | 0 | 0 | 108.9 | H273 | L271-H273 PolarHBondContact O-N 3.44Š| ||
| 272 | P | 28.1 | Very low | 29.3 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -82.2 | 109.1 | 178.4 | 32.2 | -27.6 | 0 | 0 | 0 | 108.5 | ||||
| 273 | H | 30.6 | Very low | 29.2 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -97.6 | 102.5 | 170.7 | -84.2 | -64.9 | 0 | 0 | 0 | 111.1 | L271 | L271-H273 PolarHBondContact O-N 3.44Š| ||
| 274 | T | 30.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -39.4 | 133.5 | 170.5 | -34.7 | 0 | 0 | 0 | 0 | 113.5 | C276 | T274-C276 PolarHBondContact O-N 3.18Š| ||
| 275 | C | 27.1 | Very low | 29.1 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -49.7 | 131.6 | 172.5 | -64.1 | 0 | 0 | 0 | 0 | 112.5 | H277 | C275-H277 PolarHBondContact O-N 2.97Å; C275-H277 VanDerWaalsContact O-N 3.09Å | ||
| 276 | C | 29.4 | Very low | 29.3 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -69.6 | 101.5 | 171.6 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | T274 T278 | T274-C276 PolarHBondContact O-N 3.18Å; C276-T278 PolarHBondContact O-N 2.89Å | ||
| 277 | H | 27.5 | Very low | 29.3 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -68.7 | 104.3 | 154.1 | -106.4 | -79.5 | 0 | 0 | 0 | 108.3 | C275 | C275-H277 PolarHBondContact O-N 2.97Å; C275-H277 VanDerWaalsContact O-N 3.09Å | ||
| 278 | T | 29.7 | Very low | 29.6 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -98.7 | 96.4 | 161.7 | 39.3 | 0 | 0 | 0 | 0 | 109.3 | C276 | C276-T278 PolarHBondContact O-N 2.89Š| ||
| 279 | T | 29 | Very low | 29.6 | Very low | 128 Ų | 128 | 146 Ų | 146 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -65.7 | 126.3 | 162 | 22.3 | 0 | 0 | 0 | 0 | 109.6 | N281 | T279-N281 PolarHBondContact O-N 3.25Š| ||
| 280 | Y | 29.4 | Very low | 29.8 | Very low | 219 Ų | 219 | 146.2 Ų | 146.2 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -61.1 | 118.9 | 174.1 | -74 | -94.4 | 0 | 0 | 0 | 110.6 | ||||
| 281 | N | 30 | Very low | 30 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -107.5 | 99.4 | 154.1 | -110.6 | -13 | 0 | 0 | 0 | 107.7 | T279 D283 | T279-N281 PolarHBondContact O-N 3.25Å; N281-D283 PolarHBondContact O-N 2.85Å | ||
| 282 | T | 30.9 | Very low | 30.2 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -73.4 | 96.8 | 168.9 | 44 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 283 | D | 28.6 | Very low | 30.6 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -152.1 | 78.7 | 158.9 | -98.7 | -27.4 | 0 | 0 | 0 | 108.8 | N281 | N281-D283 PolarHBondContact O-N 2.85Š| ||
| 284 | L | 30.5 | Very low | 30.9 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -148.9 | 84 | 159.1 | -136.6 | 82.3 | 0 | 0 | 0 | 110 | S286 | L284-S286 PolarHBondContact O-N 3.45Š| ||
| 285 | H | 28.7 | Very low | 31.3 | Very low | 177 Ų | 177 | 157.7 Ų | 157.7 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | trans | -53.6 | 105.2 | 155.7 | -104.4 | 88 | 0 | 0 | 0 | 108.3 | ||||
| 286 | S | 30.8 | Very low | 31.6 | Very low | 80 Ų | 80 | 155.5 Ų | 155.5 | 56% | 0.559 | 79% | 0.788 | S | S | * | * | trans | -124.5 | 97 | 161.9 | 59.8 | 0 | 0 | 0 | 0 | 109.3 | L284 I288 | L284-S286 PolarHBondContact O-N 3.45Å; S286-I288 PolarHBondContact O-N 3.26Å | ||
| 287 | H | 31 | Very low | 31.9 | Very low | 157 Ų | 157 | 161.8 Ų | 161.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -59.8 | 98.3 | 160.1 | -84.7 | -81.9 | 0 | 0 | 0 | 108.6 | ||||
| 288 | I | 32.7 | Very low | 32.4 | Very low | 129 Ų | 129 | 163.4 Ų | 163.4 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | trans | -98.4 | 79.2 | 164.2 | -57 | -178.6 | 0 | 0 | 0 | 107.6 | S286 H290 | S286-I288 PolarHBondContact O-N 3.26Å; I288-H290 HydrophobicContact CG2-CB 4.29Å; I288-H290 PolarHBondContact O-N 2.95Å | ||
| 289 | Y | 31.4 | Very low | 32.6 | Very low | 211 Ų | 211 | 167.6 Ų | 167.6 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -82.4 | 92.5 | 153.5 | -101.1 | -86 | 0 | 0 | 0 | 107.1 | ||||
| 290 | H | 34.8 | Very low | 32.9 | Very low | 170 Ų | 170 | 168.1 Ų | 168.1 | 79% | 0.787 | 81% | 0.811 | S | S | * | * | trans | -100.6 | 94 | 164.1 | -102.9 | -56.5 | 0 | 0 | 0 | 109.2 | I288 | I288-H290 HydrophobicContact CG2-CB 4.29Å; I288-H290 PolarHBondContact O-N 2.95Å | ||
| 291 | N | 31.8 | Very low | 33.1 | Very low | 147 Ų | 147 | 163.5 Ų | 163.5 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -92.1 | 115.1 | 163 | -156.2 | -11.7 | 0 | 0 | 0 | 107.4 | ||||
| 292 | P | 33 | Very low | 33.3 | Very low | 98 Ų | 98 | 164 Ų | 164 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | trans | -91 | 139.5 | -178.4 | 34.5 | -29.7 | 0 | 0 | 0 | 110.8 | ||||
| 293 | K | 35.7 | Very low | 33.5 | Very low | 199 Ų | 199 | 166.4 Ų | 166.4 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | 84.5 | 82.6 | 161.5 | -54.7 | 176.9 | -179.4 | 178 | 0 | 117.7 | ||||
| 294 | R | 37 | Very low | 33.7 | Very low | 253 Ų | 253 | 168.7 Ų | 168.7 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | -136.2 | 114.4 | 129.7 | -77.1 | -164.9 | 174.5 | 165.7 | -1.7 | 110 | |||||
| 295 | K | 38.1 | Very low | 33.7 | Very low | 214 Ų | 214 | 171.4 Ų | 171.4 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -67.5 | 138.3 | 172.7 | -71.2 | 178.7 | 173 | -178.6 | 0 | 109.4 | ||||
| 296 | G | 34 | Very low | 33.8 | Very low | 71 Ų | 71 | 171.1 Ų | 171.1 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 94.8 | 90 | 151 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 297 | R | 36.3 | Very low | 33.9 | Very low | 251 Ų | 251 | 176.7 Ų | 176.7 | 95% | 0.947 | 83% | 0.828 | S | S | * | * | 173.7 | 145.7 | 118.1 | -94.1 | 173.6 | 173.9 | 178.6 | -2 | 111 | |||||
| 298 | K | 36.9 | Very low | 33.8 | Very low | 215 Ų | 215 | 176.5 Ų | 176.5 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 136.7 | -165.4 | -63.6 | 169.4 | 173.8 | 178.9 | 0 | 114.4 | ||
| 299 | K | 33.6 | Very low | 33.7 | Very low | 210 Ų | 210 | 178.2 Ų | 178.2 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 137.4 | 163.4 | -79.3 | -174.3 | 175.9 | -176.9 | 0 | 110.1 | ||
| 300 | T | 36.2 | Very low | 33.7 | Very low | 138 Ų | 138 | 173.1 Ų | 173.1 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -93 | 148.4 | 159.9 | 37.5 | 0 | 0 | 0 | 0 | 110 | ||
| 301 | P | 32.4 | Very low | 33.7 | Very low | 122 Ų | 122 | 171.9 Ų | 171.9 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 139 | -169.5 | 36.4 | -28.4 | 0 | 0 | 0 | 112.8 | ||
| 302 | I | 35.9 | Very low | 33.5 | Very low | 174 Ų | 174 | 170.5 Ų | 170.5 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | -124.8 | 128.4 | 163.5 | -61 | 179.2 | 0 | 0 | 0 | 108.7 | ||||
| 303 | K | 34 | Very low | 33.3 | Very low | 172 Ų | 172 | 173.4 Ų | 173.4 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -75.3 | 143.2 | -170.2 | -63.5 | 171 | 175.4 | 177.6 | 0 | 112.3 | ||||
| 304 | H | 32.7 | Very low | 32.9 | Very low | 197 Ų | 197 | 170.4 Ų | 170.4 | 91% | 0.912 | 82% | 0.817 | S | S | * | * | trans | -114.5 | 131.3 | 156.1 | -88.7 | -46.2 | 0 | 0 | 0 | 109.7 | ||||
| 305 | Y | 30.4 | Very low | 32.2 | Very low | 214 Ų | 214 | 167.8 Ų | 167.8 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -86.1 | 133.2 | 175.4 | -90.3 | -96.3 | 0 | 0 | 0 | 110.7 | ||||
| 306 | H | 30.5 | Very low | 31.6 | Very low | 172 Ų | 172 | 163 Ų | 163 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -86.1 | 146.1 | 163.6 | -93.4 | -59.6 | 0 | 0 | 0 | 110.5 | ||||
| 307 | K | 33.5 | Very low | 31.1 | Very low | 197 Ų | 197 | 165.2 Ų | 165.2 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -134.9 | 106.1 | 157.9 | -154.3 | 174.9 | -173.9 | -178.3 | 0 | 109.2 | ||||
| 308 | H | 28.8 | Very low | 30.7 | Very low | 153 Ų | 153 | 159.9 Ų | 159.9 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -78.6 | 142.8 | 165.5 | -91.8 | -89.2 | 0 | 0 | 0 | 109.4 | ||||
| 309 | H | 31.5 | Very low | 30.1 | Very low | 165 Ų | 165 | 156 Ų | 156 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -132.2 | 118.8 | 154.1 | -127.1 | -67.5 | 0 | 0 | 0 | 108.3 | ||||
| 310 | V | 29.9 | Very low | 29.7 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | trans | -97.7 | 139.2 | 168.8 | 175.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 311 | N | 34.8 | Very low | 29.3 | Very low | 143 Ų | 143 | 156 Ų | 156 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | -173.3 | 101.9 | 153.6 | -86.1 | -18.3 | 0 | 0 | 0 | 106.3 | ||||
| 312 | N | 28.5 | Very low | 29 | Very low | 119 Ų | 119 | 159.3 Ų | 159.3 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | 73.2 | 114.4 | 87.9 | -93.8 | 9.4 | 0 | 0 | 0 | 115.8 | |||||
| 313 | H | 27.9 | Very low | 28.6 | Very low | 159 Ų | 159 | 156.1 Ų | 156.1 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 68.4 | 140.7 | 160.7 | -44.4 | -66.1 | 0 | 0 | 0 | 115.9 | ||||
| 314 | T | 27.3 | Very low | 28.2 | Very low | 135 Ų | 135 | 155 Ų | 155 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | cis | -168.5 | 151.2 | 33.7 | -33 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 315 | F | 23.2 | Very low | 28.2 | Very low | 198 Ų | 198 | 150.4 Ų | 150.4 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | trans | -57.1 | 142.4 | 176 | -82.8 | -102.2 | 0 | 0 | 0 | 114.1 | ||||
| 316 | S | 25.7 | Very low | 28 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -165 | 117.1 | 139.7 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 317 | C | 23.1 | Very low | 27.9 | Very low | 117 Ų | 117 | 151 Ų | 151 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -88.7 | 120.8 | 168.2 | -65.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 318 | N | 27.5 | Very low | 27.7 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -155.5 | 108.2 | 149 | -126.4 | -15.3 | 0 | 0 | 0 | 111.5 | ||||
| 319 | N | 25.3 | Very low | 27.8 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | 48.7 | 128.6 | 135 | -83.5 | -29.1 | 0 | 0 | 0 | 121.8 | ||||
| 320 | Q | 25.6 | Very low | 27.7 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | 90.2 | 132.6 | 146.9 | -64.4 | 169.1 | 8.7 | 0 | 0 | 117.3 | ||||
| 321 | Y | 27.1 | Very low | 27.6 | Very low | 195 Ų | 195 | 150 Ų | 150 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | 100.4 | 93.1 | 171.7 | -58 | -76.7 | 0 | 0 | 0 | 118 | ||||
| 322 | K | 25.2 | Very low | 27.2 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | 49.1 | 97 | 124.5 | -70.8 | 177.1 | 177 | 173.4 | 0 | 116.7 | |||||
| 323 | S | 28 | Very low | 27.2 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -174.4 | 122.3 | 130.5 | 36.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 324 | L | 25.6 | Very low | 27.1 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 40.8 | 117.6 | 154.9 | -66.8 | 98.5 | 0 | 0 | 0 | 120.6 | ||||
| 325 | P | 31.9 | Very low | 27.3 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | trans | -95.9 | 112.5 | 149.5 | 33.5 | -23.1 | 0 | 0 | 0 | 110.4 | Y327 | P325-Y327 HydrophobicContact CB-CD2 3.73Å; P325-Y327 HydrophobicContact CB-CE2 3.62Å; P325-Y327 HydrophobicContact CG-CD2 4.07Å; P325-Y327 HydrophobicContact CG-CE2 4.02Å; P325-Y327 PolarHBondContact O-N 3.43Å; P325-Y327 VanDerWaalsContact O-N 3.08Å | ||
| 326 | Y | 26.7 | Very low | 27.5 | Very low | 222 Ų | 222 | 145.1 Ų | 145.1 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | trans | -63.2 | 94.5 | 161.6 | -118.5 | -98.1 | 0 | 0 | 0 | 108.4 | ||||
| 327 | Y | 28.6 | Very low | 27.7 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | trans | -95.1 | 102.1 | 170.1 | -87.3 | -80.8 | 0 | 0 | 0 | 110.3 | P325 H329 | P325-Y327 HydrophobicContact CB-CD2 3.73Å; P325-Y327 HydrophobicContact CB-CE2 3.62Å; P325-Y327 HydrophobicContact CG-CD2 4.07Å; P325-Y327 HydrophobicContact CG-CE2 4.02Å; P325-Y327 PolarHBondContact O-N 3.43Å; P325-Y327 VanDerWaalsContact O-N 3.08Å; Y327-H329 PolarHBondContact O-N 2.86Å | ||
| 328 | K | 30.4 | Very low | 28 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -84.8 | 86.6 | 167.2 | -155.9 | 178.1 | -173 | -177.8 | 0 | 107.3 | S330 | K328-S330 PolarHBondContact O-N 2.9Š| ||
| 329 | H | 29.7 | Very low | 27.9 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | trans | -69.8 | 105 | 170.4 | -82.4 | -88.9 | 0 | 0 | 0 | 109.5 | Y327 L331 | Y327-H329 PolarHBondContact O-N 2.86Å; H329-L331 PolarHBondContact O-N 3.08Å | ||
| 330 | S | 29 | Very low | 28.1 | Very low | 111 Ų | 111 | 153 Ų | 153 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -70.1 | 86.3 | 156 | -62.6 | 0 | 0 | 0 | 0 | 107.8 | K328 L332 | K328-S330 PolarHBondContact O-N 2.9Å; S330-L332 PolarHBondContact O-N 3.36Å; S330-L332 VanDerWaalsContact O-N 3.08Å | ||
| 331 | L | 28.4 | Very low | 28.2 | Very low | 139 Ų | 139 | 152.9 Ų | 152.9 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | trans | -68.7 | 101.1 | 164.7 | -88.4 | 157.5 | 0 | 0 | 0 | 107.6 | H329 L333 | H329-L331 PolarHBondContact O-N 3.08Å; L331-L333 HydrophobicContact CB-CD1 4.28Å; L331-L333 PolarHBondContact O-N 3.39Å | ||
| 332 | L | 26.8 | Very low | 28.4 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -54.5 | 100 | 157.4 | -80.1 | 152.6 | 0 | 0 | 0 | 107.8 | S330 | S330-L332 PolarHBondContact O-N 3.36Å; S330-L332 VanDerWaalsContact O-N 3.08Å | ||
| 333 | L | 28 | Very low | 28.5 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | trans | -86.2 | 114.1 | 163.8 | -88 | 102.3 | 0 | 0 | 0 | 108.5 | L331 | L331-L333 HydrophobicContact CB-CD1 4.28Å; L331-L333 PolarHBondContact O-N 3.39Å | ||
| 334 | C | 26.7 | Very low | 28.6 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 68% | 0.676 | 78% | 0.775 | S | S | * | * | trans | -55.2 | 142.2 | 170.7 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | T336 | C334-T336 PolarHBondContact O-N 2.96Š| ||
| 335 | P | 30.6 | Very low | 28.9 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -73.7 | 91.6 | 164 | 30.9 | -29.1 | 0 | 0 | 0 | 108.6 | N337 | P335-N337 PolarHBondContact O-N 2.84Š| ||
| 336 | T | 27.4 | Very low | 28.9 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -84.4 | 90 | 163.7 | 35.1 | 0 | 0 | 0 | 0 | 108 | C334 | C334-T336 PolarHBondContact O-N 2.96Š| ||
| 337 | N | 29.2 | Very low | 29.3 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -161.4 | 59.4 | 158 | -87.3 | -25.7 | 0 | 0 | 0 | 107.9 | P335 | P335-N337 PolarHBondContact O-N 2.84Š| ||
| 338 | Q | 29.8 | Very low | 29.6 | Very low | 173 Ų | 173 | 151 Ų | 151 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | -126.4 | 111.1 | 151.6 | -80.5 | -176.2 | -8 | 0 | 0 | 105.6 | L340 | Q338-L340 VanDerWaalsContact C-N 3.26Å; Q338-L340 PolarHBondContact O-N 3.04Å | ||
| 339 | Q | 26.7 | Very low | 29.8 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -63.5 | 95.3 | 166.8 | -170.7 | 147.9 | -3 | 0 | 0 | 105.9 | D341 | Q339-D341 PolarHBondContact O-N 2.93Š| ||
| 340 | L | 29.4 | Very low | 30.2 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | -73.4 | 101.2 | 165.7 | -80.4 | 160.2 | 0 | 0 | 0 | 105.7 | Q338 I342 | Q338-L340 VanDerWaalsContact C-N 3.26Å; Q338-L340 PolarHBondContact O-N 3.04Å; L340-I342 HydrophobicContact CB-CG1 4.17Å; L340-I342 PolarHBondContact O-N 3.03Å | ||
| 341 | D | 27.6 | Very low | 30.5 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -60.7 | 97.3 | 150.9 | -102.5 | -21.3 | 0 | 0 | 0 | 106.2 | Q339 D343 | Q339-D341 PolarHBondContact O-N 2.93Å; D341-D343 PolarHBondContact O-N 3.23Å | ||
| 342 | I | 30.6 | Very low | 30.9 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | trans | -83.2 | 91.5 | 165.3 | -63.9 | 167.4 | 0 | 0 | 0 | 104 | L340 | L340-I342 HydrophobicContact CB-CG1 4.17Å; L340-I342 PolarHBondContact O-N 3.03Å | ||
| 343 | D | 27.4 | Very low | 31.4 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -177.7 | 59.8 | 161.2 | -87.6 | -23.5 | 0 | 0 | 0 | 110.5 | D341 | D341-D343 PolarHBondContact O-N 3.23Š| ||
| 344 | S | 30.6 | Very low | 32 | Very low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -169.5 | 65.4 | 162.3 | -144.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 345 | F | 31.2 | Very low | 32.5 | Very low | 216 Ų | 216 | 149 Ų | 149 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -153.3 | 71.6 | 158.1 | -84.3 | -68.7 | 0 | 0 | 0 | 110 | ||||
| 346 | N | 31.2 | Very low | 33 | Very low | 164 Ų | 164 | 149.5 Ų | 149.5 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -133.9 | 87 | 160.4 | -101.2 | -10 | 0 | 0 | 0 | 106.2 | ||||
| 347 | E | 35.6 | Very low | 33.7 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -153.7 | 103.6 | 159.3 | -131.4 | 165.9 | -168.7 | 0 | 0 | 112.1 | ||||
| 348 | M | 35.6 | Very low | 34.1 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | 61.4 | 105.1 | 138.6 | -61 | -164.6 | -119.3 | 0 | 0 | 119.9 | ||||
| 349 | N | 33.7 | Very low | 34.7 | Very low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -39.1 | 134.8 | 137.4 | -79.9 | -19.5 | 0 | 0 | 0 | 111.6 | ||||
| 350 | S | 38.5 | Very low | 35.4 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -164.6 | 121.3 | 140 | -73.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 351 | D | 34.9 | Very low | 35.8 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -53.4 | 146.7 | 169.1 | -68.6 | -57.9 | 0 | 0 | 0 | 112.9 | ||||
| 352 | S | 37.3 | Very low | 36.3 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | 174.9 | 128.4 | 119.1 | 44.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 353 | S | 37 | Very low | 36.7 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -17.3 | 163.4 | 154.7 | 55.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 354 | H | 41.9 | Very low | 37.2 | Very low | 157 Ų | 157 | 145 Ų | 145 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 79.6 | 141.9 | 159.7 | -70.8 | -79.4 | 0 | 0 | 0 | 115 | ||||
| 355 | E | 37 | Very low | 37.4 | Very low | 144 Ų | 144 | 145 Ų | 145 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | cis | -173.5 | 156.6 | -4.5 | -124.7 | 173.2 | 142.1 | 0 | 0 | 106.4 | ||||
| 356 | H | 41.1 | Very low | 37.5 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | trans | 54.2 | 128.1 | 144.6 | -83.8 | -67.7 | 0 | 0 | 0 | 124.3 | ||||
| 357 | D | 40.7 | Very low | 37.7 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | trans | 91.8 | 104.9 | 133 | -62 | -17.5 | 0 | 0 | 0 | 122.4 | ||||
| 358 | N | 37.7 | Very low | 37.4 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | 12.8 | 123 | 129.4 | -70.2 | -31.6 | 0 | 0 | 0 | 118.7 | |||||
| 359 | H | 42.4 | Very low | 37.2 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | 178.3 | 136.6 | 108 | -100.1 | -57.6 | 0 | 0 | 0 | 114.2 | |||||
| 360 | H | 42.8 | Very low | 37.2 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 64% | 0.644 | 74% | 0.744 | S | S | * | * | trans | 55.2 | 122.5 | 139.8 | -76 | -48.4 | 0 | 0 | 0 | 123.9 | ||||
| 361 | N | 37.6 | Very low | 36.7 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 65% | 0.647 | 74% | 0.741 | S | S | * | * | 62 | 111.2 | 126.3 | -58.4 | -5.6 | 0 | 0 | 0 | 118.9 | |||||
| 362 | N | 37 | Very low | 36.7 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | 165.5 | 132.6 | 101.3 | -88.5 | -35.2 | 0 | 0 | 0 | 113.4 | |||||
| 363 | H | 40.6 | Very low | 36.4 | Very low | 149 Ų | 149 | 140 Ų | 140 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | trans | 43.6 | 126.6 | 137.5 | -75.7 | -72.7 | 0 | 0 | 0 | 123.2 | ||||
| 364 | H | 37.1 | Very low | 36.1 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | 60.8 | 108.4 | 136.8 | -73.2 | -65.5 | 0 | 0 | 0 | 120.1 | ||||
| 365 | S | 34 | Very low | 35.5 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | 165.5 | 104.1 | 102.5 | -80.4 | 0 | 0 | 0 | 0 | 111.7 | K367 | S365-K367 PolarHBondContact O-N 3.46Š| |||
| 366 | N | 33.8 | Very low | 35.2 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | -82.5 | 95.8 | 158.8 | -87 | -17.3 | 0 | 0 | 0 | 108.8 | ||||
| 367 | K | 35.6 | Very low | 34.6 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | -88.7 | 101.7 | 160.6 | -90.1 | -178.4 | 177.1 | 175.1 | 0 | 108.4 | S365 V369 | S365-K367 PolarHBondContact O-N 3.46Å; K367-V369 PolarHBondContact O-N 2.92Å | ||
| 368 | Y | 30.2 | Very low | 34.1 | Very low | 219 Ų | 219 | 145.4 Ų | 145.4 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | -67.9 | 106.8 | 160.7 | -88.4 | -87.7 | 0 | 0 | 0 | 108.5 | S370 | Y368-S370 PolarHBondContact O-N 2.9Š| ||
| 369 | V | 31.5 | Very low | 33.8 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -77.9 | 107.2 | 167.9 | 175.7 | 0 | 0 | 0 | 0 | 107.8 | K367 N371 | K367-V369 PolarHBondContact O-N 2.92Å; V369-N371 PolarHBondContact O-N 3.16Å | ||
| 370 | S | 32.3 | Very low | 33.2 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -67.2 | 119 | 164.4 | 41.1 | 0 | 0 | 0 | 0 | 109.7 | Y368 P372 | Y368-S370 PolarHBondContact O-N 2.9Å; S370-P372 WeakPolarHBondContact O-CD 3.49Å | ||
| 371 | N | 28.8 | Very low | 32.7 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -100.1 | 110.9 | 171.2 | -157.7 | 1.1 | 0 | 0 | 0 | 108.9 | V369 | V369-N371 PolarHBondContact O-N 3.16Š| ||
| 372 | P | 34.5 | Very low | 32.4 | Very low | 110 Ų | 110 | 149.3 Ų | 149.3 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | -98.5 | 87.7 | 170.4 | 34.7 | -25.2 | 0 | 0 | 0 | 109.5 | S370 I374 | S370-P372 WeakPolarHBondContact O-CD 3.49Å; P372-I374 VanDerWaalsContact C-N 3.31Å; P372-I374 PolarHBondContact O-N 3.09Å | ||
| 373 | T | 30.7 | Very low | 32.2 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -79.6 | 84.8 | 165.3 | -42.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 374 | I | 30.7 | Very low | 31.8 | Very low | 144 Ų | 144 | 149.5 Ų | 149.5 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -121.5 | 82.8 | 157.2 | -57.8 | 179.1 | 0 | 0 | 0 | 105.9 | P372 Y376 | P372-I374 VanDerWaalsContact C-N 3.31Å; P372-I374 PolarHBondContact O-N 3.09Å; I374-Y376 PolarHBondContact O-N 3.3Å | ||
| 375 | L | 29.4 | Very low | 31.7 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -76.2 | 108.8 | 164.7 | -92.4 | 160.8 | 0 | 0 | 0 | 107.8 | A377 | L375-A377 PolarHBondContact O-N 3.08Å; L375-A377 VanDerWaalsContact O-N 3.13Å | ||
| 376 | Y | 30.4 | Very low | 31.7 | Very low | 204 Ų | 204 | 150.2 Ų | 150.2 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -54.1 | 107.1 | 158.1 | -97.2 | -104.6 | 0 | 0 | 0 | 108.9 | I374 Q378 | I374-Y376 PolarHBondContact O-N 3.3Å; Y376-Q378 PolarHBondContact O-N 3.1Å | ||
| 377 | A | 29.2 | Very low | 31.7 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -84.3 | 84.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | L375 | L375-A377 PolarHBondContact O-N 3.08Å; L375-A377 VanDerWaalsContact O-N 3.13Å | ||
| 378 | Q | 30.7 | Very low | 31.5 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -87.6 | 100.9 | 157.9 | -135.4 | 174.7 | 4 | 0 | 0 | 105.8 | Y376 I380 | Y376-Q378 PolarHBondContact O-N 3.1Å; Q378-I380 PolarHBondContact O-N 3.07Å | ||
| 379 | Q | 30 | Very low | 31.8 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -66.6 | 103.2 | 178 | -143.1 | 169.9 | 1.8 | 0 | 0 | 107.6 | I381 | Q379-I381 PolarHBondContact O-N 2.87Å; Q379-I381 VanDerWaalsContact O-N 3.15Å | ||
| 380 | I | 31.1 | Very low | 32.4 | Very low | 145 Ų | 145 | 150 Ų | 150 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -59.5 | 109.1 | 170.1 | -66.1 | 168.9 | 0 | 0 | 0 | 106.7 | Q378 Q382 | Q378-I380 PolarHBondContact O-N 3.07Å; I380-Q382 VanDerWaalsContact C-N 3.3Å; I380-Q382 HydrophobicContact CG2-CG 4Å; I380-Q382 PolarHBondContact O-N 2.73Å; I380-Q382 VanDerWaalsContact O-N 3.13Å | ||
| 381 | I | 32.1 | Very low | 32.4 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -73.9 | 94.8 | 159.7 | -65.6 | 172.8 | 0 | 0 | 0 | 105.1 | Q379 N383 | Q379-I381 PolarHBondContact O-N 2.87Å; Q379-I381 VanDerWaalsContact O-N 3.15Å; I381-N383 HydrophobicContact CG2-CB 4.18Å; I381-N383 PolarHBondContact O-N 3Å | ||
| 382 | Q | 30.2 | Very low | 32.6 | Very low | 169 Ų | 169 | 152.9 Ų | 152.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -68.6 | 100.3 | 154.7 | -79.7 | -171.7 | -27.8 | 0 | 0 | 106.7 | I380 | I380-Q382 VanDerWaalsContact C-N 3.3Å; I380-Q382 HydrophobicContact CG2-CG 4Å; I380-Q382 PolarHBondContact O-N 2.73Å; I380-Q382 VanDerWaalsContact O-N 3.13Å | ||
| 383 | N | 34.1 | Very low | 32.5 | Very low | 147 Ų | 147 | 155.3 Ų | 155.3 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -123.5 | 113.8 | 153.6 | -97.9 | -12 | 0 | 0 | 0 | 107.6 | I381 | I381-N383 HydrophobicContact CG2-CB 4.18Å; I381-N383 PolarHBondContact O-N 3Å | ||
| 384 | N | 30.9 | Very low | 32.6 | Very low | 144 Ų | 144 | 158 Ų | 158 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -49.1 | 133.3 | 171.7 | -64.6 | -34 | 0 | 0 | 0 | 111.1 | ||||
| 385 | N | 35.9 | Very low | 32.7 | Very low | 143 Ų | 143 | 158.9 Ų | 158.9 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | 154.5 | 90.4 | 150.3 | -78.7 | -11.6 | 0 | 0 | 0 | 106.7 | ||||
| 386 | I | 34.4 | Very low | 32.9 | Very low | 140 Ų | 140 | 158.9 Ų | 158.9 | 72% | 0.718 | 81% | 0.812 | S | S | * | * | 55.2 | 88.5 | 90.9 | -58.3 | 172.6 | 0 | 0 | 0 | 111.1 | |||||
| 387 | N | 33 | Very low | 33.1 | Very low | 137 Ų | 137 | 155.7 Ų | 155.7 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | 160.3 | 101.6 | 119.8 | -86.9 | -26.1 | 0 | 0 | 0 | 109.9 | |||||
| 388 | V | 31.5 | Very low | 33.4 | Very low | 138 Ų | 138 | 159.7 Ų | 159.7 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -99.2 | 114.3 | 153.3 | 174.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 389 | F | 36.8 | Very low | 33.7 | Very low | 186 Ų | 186 | 159 Ų | 159 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | trans | -124.3 | 113.8 | 156.9 | -101.9 | -86 | 0 | 0 | 0 | 106.6 | ||||
| 390 | I | 43.9 | Very low | 34 | Very low | 228 Ų | 228 | 156.6 Ų | 156.6 | 100% | 1.169 | 81% | 0.807 | S | S | * | * | trans | 67.8 | 0 | 166.7 | -44.6 | 177.3 | 0 | 0 | 0 | 116.6 |
Retrieved 390 of 390 residues in 378 ms
(Link to these results)