| 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 | 44.1 | Very low | 56.4 | Low | 228 Ų | 228 | 122.4 Ų | 122.4 | 100% | 1.123 | 68% | 0.682 | S | S | * | * | 0 | 120.4 | 0 | -71.3 | 159.6 | 81.6 | 0 | 0 | 107 | V3 | M1-V3 PolarHBondContact O-N 3.5Š| |||
| 2 | V | 37.6 | Very low | 57.9 | Low | 147 Ų | 147 | 123.9 Ų | 123.9 | 89% | 0.891 | 68% | 0.677 | S | S | * | * | trans | -83.1 | 103 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 3 | V | 43.5 | Very low | 59.5 | Low | 120 Ų | 120 | 122.1 Ų | 122.1 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -80.5 | 132 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | M1 G5 | M1-V3 PolarHBondContact O-N 3.5Å; V3-G5 PolarHBondContact O-N 3.42Å | ||
| 4 | S | 44.6 | Very low | 60.9 | Low | 80 Ų | 80 | 122.4 Ų | 122.4 | 56% | 0.559 | 67% | 0.665 | S | S | * | * | trans | -68.4 | 115.2 | -166.2 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | H6 D7 | S4-H6 PolarHBondContact O-N 3.48Å; S4-D7 PolarHBondContact O-N 3.37Å | ||
| 5 | G | 55.4 | Low | 62.2 | Low | 57 Ų | 57 | 119.4 Ų | 119.4 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 26 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | V3 | V3-G5 PolarHBondContact O-N 3.42Š|
| 6 | H | 55.2 | Low | 63.4 | Low | 155 Ų | 155 | 121.1 Ų | 121.1 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -30.3 | 168.3 | -78.8 | 10.7 | 0 | 0 | 0 | 111.9 | S4 L9 A10 | S4-H6 PolarHBondContact O-N 3.48Å; H6-L9 PolarHBondContact O-N 3.09Å; H6-A10 PolarHBondContact O-N 3.36Å; H6-A10 VanDerWaalsContact O-N 3.11Å |
| 7 | D | 58.5 | Low | 64.6 | Low | 110 Ų | 110 | 119.1 Ų | 119.1 | 59% | 0.588 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.2 | -37.6 | -179.7 | -63.2 | -31.5 | 0 | 0 | 0 | 111.5 | S4 L9 A10 Y11 | S4-D7 PolarHBondContact O-N 3.37Å; D7-L9 PolarHBondContact O-N 2.99Å; D7-A10 PolarHBondContact O-N 3.1Å; D7-Y11 WeakPolarHBondContact O-CB 3.26Å; D7-Y11 PolarHBondContact O-N 3.49Å |
| 8 | D | 63.7 | Low | 65.6 | Low | 119 Ų | 119 | 114.7 Ų | 114.7 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.4 | -38.2 | 175.5 | -73.7 | -29.8 | 0 | 0 | 0 | 112.8 | Y11 F12 | D8-Y11 PolarHBondContact O-N 3.14Å; D8-F12 WeakPolarHBondContact O-CB 3.41Å; D8-F12 PolarHBondContact O-N 3.08Å |
| 9 | L | 70.1 | Confident | 66.5 | Low | 116 Ų | 116 | 112.3 Ų | 112.3 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.4 | -42.5 | 177.4 | -165.7 | 99.7 | 0 | 0 | 0 | 110.7 | H6 D7 Y11 F12 L13 | H6-L9 PolarHBondContact O-N 3.09Å; D7-L9 PolarHBondContact O-N 2.99Å; L9-Y11 VanDerWaalsContact C-N 3.34Å; L9-F12 PolarHBondContact O-N 3.39Å; L9-L13 HydrophobicContact CD2-CD1 4.09Å; L9-L13 HydrophobicContact CG-CD1 4.3Å; L9-L13 WeakPolarHBondContact O-CB 3.29Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.77Å |
| 10 | A | 74.1 | Confident | 67.4 | Low | 52 Ų | 52 | 112.6 Ų | 112.6 | 43% | 0.43 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.5 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | H6 D7 L13 L14 | H6-A10 PolarHBondContact O-N 3.36Å; H6-A10 VanDerWaalsContact O-N 3.11Å; D7-A10 PolarHBondContact O-N 3.1Å; A10-L13 PolarHBondContact O-N 3.25Å; A10-L14 WeakPolarHBondContact O-CB 3.5Å; A10-L14 PolarHBondContact O-N 3.36Å |
| 11 | Y | 73.9 | Confident | 68.3 | Low | 162 Ų | 162 | 110.7 Ų | 110.7 | 64% | 0.635 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.2 | -45.9 | 176.1 | -167.2 | -93.7 | 0 | 0 | 0 | 112.2 | D7 D8 L9 L13 L14 V15 | D7-Y11 WeakPolarHBondContact O-CB 3.26Å; D7-Y11 PolarHBondContact O-N 3.49Å; D8-Y11 PolarHBondContact O-N 3.14Å; L9-Y11 VanDerWaalsContact C-N 3.34Å; Y11-L13 VanDerWaalsContact C-N 3.32Å; Y11-L13 PolarHBondContact O-N 2.95Å; Y11-L14 WeakPolarHBondContact O-CB 3.27Å; Y11-L14 PolarHBondContact O-N 3.12Å; Y11-V15 HydrophobicContact CD1-CG2 4Å; Y11-V15 HydrophobicContact CE1-CG2 3.71Å; Y11-V15 WeakPolarHBondContact O-CG2 3.5Å; Y11-V15 PolarHBondContact O-N 3.04Å |
| 12 | F | 73.6 | Confident | 70.2 | Confident | 141 Ų | 141 | 105 Ų | 105 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.5 | -38.6 | 176.8 | -114.6 | -81.8 | 0 | 0 | 0 | 113 | D8 L9 K16 | D8-F12 WeakPolarHBondContact O-CB 3.41Å; D8-F12 PolarHBondContact O-N 3.08Å; L9-F12 PolarHBondContact O-N 3.39Å; F12-K16 WeakPolarHBondContact O-CB 3.45Å; F12-K16 PolarHBondContact O-N 3.08Å |
| 13 | L | 78.8 | Confident | 72.3 | Confident | 100 Ų | 100 | 101.3 Ų | 101.3 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.3 | -43.9 | 174.4 | -73.2 | 168.5 | 0 | 0 | 0 | 111.2 | L9 A10 Y11 V15 K16 V17 | L9-L13 HydrophobicContact CD2-CD1 4.09Å; L9-L13 HydrophobicContact CG-CD1 4.3Å; L9-L13 WeakPolarHBondContact O-CB 3.29Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.77Å; A10-L13 PolarHBondContact O-N 3.25Å; Y11-L13 VanDerWaalsContact C-N 3.32Å; Y11-L13 PolarHBondContact O-N 2.95Å; L13-V15 PolarHBondContact O-N 2.96Å; L13-K16 PolarHBondContact O-N 3.36Å; L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 2.71Å |
| 14 | L | 79.2 | Confident | 74.1 | Confident | 127 Ų | 127 | 99.2 Ų | 99.2 | 67% | 0.665 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.1 | -45.4 | 175.1 | -114.3 | 162.6 | 0 | 0 | 0 | 112.1 | A10 Y11 G18 | A10-L14 WeakPolarHBondContact O-CB 3.5Å; A10-L14 PolarHBondContact O-N 3.36Å; Y11-L14 WeakPolarHBondContact O-CB 3.27Å; Y11-L14 PolarHBondContact O-N 3.12Å; L14-G18 PolarHBondContact O-N 3.37Å |
| 15 | V | 80 | Confident | 75.9 | Confident | 77 Ų | 77 | 99.9 Ų | 99.9 | 47% | 0.467 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | Y11 L13 S19 | Y11-V15 HydrophobicContact CD1-CG2 4Å; Y11-V15 HydrophobicContact CE1-CG2 3.71Å; Y11-V15 WeakPolarHBondContact O-CG2 3.5Å; Y11-V15 PolarHBondContact O-N 3.04Å; L13-V15 PolarHBondContact O-N 2.96Å; V15-S19 VanDerWaalsContact O-CB 3.3Å; V15-S19 WeakPolarHBondContact O-CB 3.25Å; V15-S19 PolarHBondContact O-N 2.94Å |
| 16 | K | 81.6 | Confident | 77.1 | Confident | 146 Ų | 146 | 101.8 Ų | 101.8 | 64% | 0.635 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.8 | -43.4 | 177.3 | -80.5 | -169.4 | 174.5 | -175.9 | 0 | 112.9 | F12 L13 S19 L20 | F12-K16 WeakPolarHBondContact O-CB 3.45Å; F12-K16 PolarHBondContact O-N 3.08Å; L13-K16 PolarHBondContact O-N 3.36Å; K16-S19 PolarHBondContact O-N 2.89Å; K16-L20 PolarHBondContact O-N 3.4Å |
| 17 | V | 83.6 | Confident | 78.1 | Confident | 88 Ų | 88 | 98.4 Ų | 98.4 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 176.6 | 173 | 0 | 0 | 0 | 0 | 110.3 | L13 S19 L20 V21 | L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 2.71Å; V17-S19 PolarHBondContact O-N 2.98Å; V17-L20 PolarHBondContact O-N 3.01Å; V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.07Å |
| 18 | G | 83.8 | Confident | 78.7 | Confident | 39 Ų | 39 | 98.6 Ų | 98.6 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L14 V21 L22 | L14-G18 PolarHBondContact O-N 3.37Å; G18-V21 PolarHBondContact O-N 2.92Å; G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 3.33Å |
| 19 | S | 82.3 | Confident | 79.1 | Confident | 70 Ų | 70 | 96.7 Ų | 96.7 | 49% | 0.49 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.3 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | V15 K16 V17 L22 T23 | V15-S19 VanDerWaalsContact O-CB 3.3Å; V15-S19 WeakPolarHBondContact O-CB 3.25Å; V15-S19 PolarHBondContact O-N 2.94Å; K16-S19 PolarHBondContact O-N 2.89Å; V17-S19 PolarHBondContact O-N 2.98Å; S19-L22 PolarHBondContact O-N 3Å; S19-T23 WeakPolarHBondContact O-CB 2.86Å; S19-T23 WeakPolarHBondContact O-CG2 3.45Å; S19-T23 PolarHBondContact O-N 3.41Å; S19-T23 PolarHBondContact O-OG1 2.74Å |
| 20 | L | 84 | Confident | 78.8 | Confident | 117 Ų | 117 | 94.9 Ų | 94.9 | 61% | 0.613 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 177.3 | -163.3 | 84 | 0 | 0 | 0 | 111.9 | K16 V17 T23 T24 | K16-L20 PolarHBondContact O-N 3.4Å; V17-L20 PolarHBondContact O-N 3.01Å; L20-T23 WeakPolarHBondContact CA-OG1 3.16Å; L20-T23 PolarHBondContact O-OG1 2.96Å; L20-T23 VanDerWaalsContact O-OG1 3.07Å; L20-T24 WeakPolarHBondContact O-CB 3.41Å; L20-T24 WeakPolarHBondContact O-CG2 3.45Å; L20-T24 PolarHBondContact O-N 3.45Å; L20-T24 PolarHBondContact O-OG1 3.25Å |
| 21 | V | 86.4 | Confident | 78.1 | Confident | 73 Ų | 73 | 95.5 Ų | 95.5 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 176.8 | 173 | 0 | 0 | 0 | 0 | 111.1 | V17 G18 T24 L25 | V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.07Å; G18-V21 PolarHBondContact O-N 2.92Å; V21-T24 WeakPolarHBondContact CA-OG1 3.28Å; V21-T24 PolarHBondContact O-OG1 2.74Å; V21-T24 VanDerWaalsContact O-OG1 3.06Å; V21-L25 HydrophobicContact CG1-CD1 3.93Å; V21-L25 WeakPolarHBondContact O-CB 3.39Å; V21-L25 WeakPolarHBondContact O-CG 3.16Å; V21-L25 PolarHBondContact O-N 2.75Å |
| 22 | L | 85.1 | Confident | 77.3 | Confident | 110 Ų | 110 | 93.1 Ų | 93.1 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | 177.7 | -168.8 | 76.6 | 0 | 0 | 0 | 111.8 | G18 S19 L25 L26 | G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 3.33Å; S19-L22 PolarHBondContact O-N 3Å; L22-L25 PolarHBondContact O-N 3.18Å; L22-L26 HydrophobicContact CG-CD1 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 VanDerWaalsContact O-CG 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 3.33Å |
| 23 | T | 81.3 | Confident | 76.3 | Confident | 68 Ų | 68 | 94.9 Ų | 94.9 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 179.2 | 47.6 | 0 | 0 | 0 | 0 | 112 | S19 L20 L26 V27 | S19-T23 WeakPolarHBondContact O-CB 2.86Å; S19-T23 WeakPolarHBondContact O-CG2 3.45Å; S19-T23 PolarHBondContact O-N 3.41Å; S19-T23 PolarHBondContact O-OG1 2.74Å; L20-T23 WeakPolarHBondContact CA-OG1 3.16Å; L20-T23 PolarHBondContact O-OG1 2.96Å; L20-T23 VanDerWaalsContact O-OG1 3.07Å; T23-L26 PolarHBondContact O-N 2.81Å; T23-V27 WeakPolarHBondContact O-CG2 3.12Å; T23-V27 PolarHBondContact O-N 3.44Å |
| 24 | T | 81.8 | Confident | 74.8 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 174.6 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | L20 V21 V27 M28 | L20-T24 WeakPolarHBondContact O-CB 3.41Å; L20-T24 WeakPolarHBondContact O-CG2 3.45Å; L20-T24 PolarHBondContact O-N 3.45Å; L20-T24 PolarHBondContact O-OG1 3.25Å; V21-T24 WeakPolarHBondContact CA-OG1 3.28Å; V21-T24 PolarHBondContact O-OG1 2.74Å; V21-T24 VanDerWaalsContact O-OG1 3.06Å; T24-V27 PolarHBondContact O-N 3.37Å; T24-M28 WeakPolarHBondContact O-CB 3.21Å; T24-M28 VanDerWaalsContact O-CG 3.31Å; T24-M28 WeakPolarHBondContact O-CG 3.48Å; T24-M28 PolarHBondContact O-N 3.33Å |
| 25 | L | 81.9 | Confident | 73.2 | Confident | 94 Ų | 94 | 91.6 Ų | 91.6 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 171.6 | -80.4 | 168.2 | 0 | 0 | 0 | 112.4 | V21 L22 M28 I29 | V21-L25 HydrophobicContact CG1-CD1 3.93Å; V21-L25 WeakPolarHBondContact O-CB 3.39Å; V21-L25 WeakPolarHBondContact O-CG 3.16Å; V21-L25 PolarHBondContact O-N 2.75Å; L22-L25 PolarHBondContact O-N 3.18Å; L25-M28 PolarHBondContact O-N 2.92Å; L25-I29 WeakPolarHBondContact O-CB 3.19Å; L25-I29 WeakPolarHBondContact O-CD1 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.24Å; L25-I29 PolarHBondContact O-N 3.33Å |
| 26 | L | 80 | Confident | 71.3 | Confident | 96 Ų | 96 | 89.3 Ų | 89.3 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177 | -73.4 | 170.1 | 0 | 0 | 0 | 112 | L22 T23 I29 T30 | L22-L26 HydrophobicContact CG-CD1 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 VanDerWaalsContact O-CG 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 3.33Å; T23-L26 PolarHBondContact O-N 2.81Å; L26-I29 PolarHBondContact O-N 3.48Å; L26-T30 WeakPolarHBondContact O-CG2 3.17Å; L26-T30 PolarHBondContact O-N 3.02Å; L26-T30 PolarHBondContact O-OG1 2.78Å; L26-T30 VanDerWaalsContact O-OG1 3.09Å |
| 27 | V | 75.6 | Confident | 69.2 | Low | 85 Ų | 85 | 91.1 Ų | 91.1 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 173.6 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | T23 T24 T30 C31 | T23-V27 WeakPolarHBondContact O-CG2 3.12Å; T23-V27 PolarHBondContact O-N 3.44Å; T24-V27 PolarHBondContact O-N 3.37Å; V27-T30 WeakPolarHBondContact CA-OG1 3.16Å; V27-T30 PolarHBondContact O-N 2.7Å; V27-T30 PolarHBondContact O-OG1 2.72Å; V27-T30 VanDerWaalsContact O-OG1 3.04Å; V27-C31 VanDerWaalsContact O-CB 3.22Å; V27-C31 WeakPolarHBondContact O-CB 3.47Å; V27-C31 PolarHBondContact O-N 3.19Å; V27-C31 PolarHBondContact O-SG 3.14Å |
| 28 | M | 71.4 | Confident | 66.9 | Low | 113 Ų | 113 | 91.8 Ų | 91.8 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -41.5 | 175.8 | -73.8 | -64.3 | -70.8 | 0 | 0 | 112 | T24 L25 L32 | T24-M28 WeakPolarHBondContact O-CB 3.21Å; T24-M28 VanDerWaalsContact O-CG 3.31Å; T24-M28 WeakPolarHBondContact O-CG 3.48Å; T24-M28 PolarHBondContact O-N 3.33Å; L25-M28 PolarHBondContact O-N 2.92Å; M28-L32 WeakPolarHBondContact O-CB 3.44Å; M28-L32 WeakPolarHBondContact O-CD1 3.4Å; M28-L32 WeakPolarHBondContact O-CG 3.31Å; M28-L32 PolarHBondContact O-N 3.42Å |
| 29 | I | 73.1 | Confident | 64.5 | Low | 79 Ų | 79 | 98.9 Ų | 98.9 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 177.5 | -69.4 | 163.1 | 0 | 0 | 0 | 111.5 | L25 L26 R33 | L25-I29 WeakPolarHBondContact O-CB 3.19Å; L25-I29 WeakPolarHBondContact O-CD1 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.24Å; L25-I29 PolarHBondContact O-N 3.33Å; L26-I29 PolarHBondContact O-N 3.48Å; I29-R33 WeakPolarHBondContact O-CB 3.29Å; I29-R33 WeakPolarHBondContact O-CG 3.42Å; I29-R33 PolarHBondContact O-N 2.76Å |
| 30 | T | 63 | Low | 62.2 | Low | 79 Ų | 79 | 101.2 Ų | 101.2 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.3 | -44.8 | 176.5 | 54 | 0 | 0 | 0 | 0 | 111.2 | L26 V27 L32 R33 C34 | L26-T30 WeakPolarHBondContact O-CG2 3.17Å; L26-T30 PolarHBondContact O-N 3.02Å; L26-T30 PolarHBondContact O-OG1 2.78Å; L26-T30 VanDerWaalsContact O-OG1 3.09Å; V27-T30 WeakPolarHBondContact CA-OG1 3.16Å; V27-T30 PolarHBondContact O-N 2.7Å; V27-T30 PolarHBondContact O-OG1 2.72Å; V27-T30 VanDerWaalsContact O-OG1 3.04Å; T30-L32 PolarHBondContact O-N 2.91Å; T30-R33 PolarHBondContact O-N 2.74Å; T30-C34 WeakPolarHBondContact O-CB 3.31Å; T30-C34 PolarHBondContact O-N 3.23Å; T30-C34 PolarHBondContact O-SG 3.24Å |
| 31 | C | 59.1 | Low | 59.6 | Low | 65 Ų | 65 | 103.9 Ų | 103.9 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 172.8 | -74.3 | 0 | 0 | 0 | 0 | 112.1 | V27 R33 C34 V35 | V27-C31 VanDerWaalsContact O-CB 3.22Å; V27-C31 WeakPolarHBondContact O-CB 3.47Å; V27-C31 PolarHBondContact O-N 3.19Å; V27-C31 PolarHBondContact O-SG 3.14Å; C31-R33 PolarHBondContact O-N 2.9Å; C31-C34 PolarHBondContact O-N 3.01Å; C31-V35 WeakPolarHBondContact O-CB 3.18Å; C31-V35 VanDerWaalsContact O-CG2 3.31Å; C31-V35 WeakPolarHBondContact O-CG2 3.44Å; C31-V35 PolarHBondContact O-N 2.92Å |
| 32 | L | 57.7 | Low | 57 | Low | 112 Ų | 112 | 105.4 Ų | 105.4 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.3 | -35.2 | 175.7 | -75.4 | 166.7 | 0 | 0 | 0 | 112.4 | M28 T30 G36 | M28-L32 WeakPolarHBondContact O-CB 3.44Å; M28-L32 WeakPolarHBondContact O-CD1 3.4Å; M28-L32 WeakPolarHBondContact O-CG 3.31Å; M28-L32 PolarHBondContact O-N 3.42Å; T30-L32 PolarHBondContact O-N 2.91Å; L32-G36 WeakPolarHBondContact O-CA 3.49Å; L32-G36 PolarHBondContact O-N 3.39Å |
| 33 | R | 52.4 | Low | 54.4 | Low | 177 Ų | 177 | 104.1 Ų | 104.1 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.5 | -35 | 172.8 | -80.4 | 179.7 | 167 | 166.1 | -2.9 | 112.5 | I29 T30 C31 R37 | I29-R33 WeakPolarHBondContact O-CB 3.29Å; I29-R33 WeakPolarHBondContact O-CG 3.42Å; I29-R33 PolarHBondContact O-N 2.76Å; T30-R33 PolarHBondContact O-N 2.74Å; C31-R33 PolarHBondContact O-N 2.9Å; R33-R37 WeakPolarHBondContact O-CB 3.26Å; R33-R37 WeakPolarHBondContact O-CG 3.32Å; R33-R37 PolarHBondContact O-N 2.87Å |
| 34 | C | 47.8 | Very low | 52 | Low | 77 Ų | 77 | 104.3 Ų | 104.3 | 52% | 0.52 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.5 | -47.8 | 173.5 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | T30 C31 G36 R37 N38 | T30-C34 WeakPolarHBondContact O-CB 3.31Å; T30-C34 PolarHBondContact O-N 3.23Å; T30-C34 PolarHBondContact O-SG 3.24Å; C31-C34 PolarHBondContact O-N 3.01Å; C34-G36 VanDerWaalsContact C-N 3.32Å; C34-G36 PolarHBondContact O-N 3.26Å; C34-R37 PolarHBondContact O-N 3.13Å; C34-N38 WeakPolarHBondContact O-CB 3.31Å; C34-N38 PolarHBondContact O-N 3.37Å |
| 35 | V | 45.7 | Very low | 49.5 | Very low | 81 Ų | 81 | 103.9 Ų | 103.9 | 49% | 0.491 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.2 | -37.6 | 174.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | C31 N38 R39 | C31-V35 WeakPolarHBondContact O-CB 3.18Å; C31-V35 VanDerWaalsContact O-CG2 3.31Å; C31-V35 WeakPolarHBondContact O-CG2 3.44Å; C31-V35 PolarHBondContact O-N 2.92Å; V35-N38 PolarHBondContact O-N 2.87Å; V35-R39 WeakPolarHBondContact O-CB 3.37Å; V35-R39 WeakPolarHBondContact O-CG 3.47Å; V35-R39 PolarHBondContact O-N 2.92Å |
| 36 | G | 39.9 | Very low | 46.9 | Very low | 29 Ų | 29 | 107.7 Ų | 107.7 | 30% | 0.299 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.9 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L32 C34 R39 L40 | L32-G36 WeakPolarHBondContact O-CA 3.49Å; L32-G36 PolarHBondContact O-N 3.39Å; C34-G36 VanDerWaalsContact C-N 3.32Å; C34-G36 PolarHBondContact O-N 3.26Å; G36-R39 PolarHBondContact O-N 3.15Å; G36-L40 WeakPolarHBondContact O-CB 3.14Å; G36-L40 WeakPolarHBondContact O-CG 3.42Å; G36-L40 PolarHBondContact O-N 3.03Å |
| 37 | R | 38 | Very low | 44.3 | Very low | 185 Ų | 185 | 113.3 Ų | 113.3 | 70% | 0.698 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.7 | -37.2 | 174.1 | -79 | 176.5 | 168.6 | 168.3 | -4.3 | 112.5 | R33 C34 R41 | R33-R37 WeakPolarHBondContact O-CB 3.26Å; R33-R37 WeakPolarHBondContact O-CG 3.32Å; R33-R37 PolarHBondContact O-N 2.87Å; C34-R37 PolarHBondContact O-N 3.13Å; R37-R41 WeakPolarHBondContact O-CG 3.39Å; R37-R41 PolarHBondContact O-N 2.95Å |
| 38 | N | 35 | Very low | 41.9 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.9 | -41.7 | 174.8 | -72.5 | -3 | 0 | 0 | 0 | 111.6 | C34 V35 R41 V42 | C34-N38 WeakPolarHBondContact O-CB 3.31Å; C34-N38 PolarHBondContact O-N 3.37Å; V35-N38 PolarHBondContact O-N 2.87Å; N38-R41 PolarHBondContact O-N 3.45Å; N38-V42 VanDerWaalsContact O-CG2 3.32Å; N38-V42 WeakPolarHBondContact O-CG2 3.47Å; N38-V42 PolarHBondContact O-N 3.03Å |
| 39 | R | 34 | Very low | 39.7 | Very low | 188 Ų | 188 | 120.3 Ų | 120.3 | 71% | 0.709 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63 | -42.7 | 172.5 | -82.1 | -172 | 169.1 | -165.9 | -2.6 | 112.3 | V35 G36 R41 V42 T43 | V35-R39 WeakPolarHBondContact O-CB 3.37Å; V35-R39 WeakPolarHBondContact O-CG 3.47Å; V35-R39 PolarHBondContact O-N 2.92Å; G36-R39 PolarHBondContact O-N 3.15Å; R39-R41 VanDerWaalsContact C-N 3.32Å; R39-R41 PolarHBondContact O-N 2.92Å; R39-V42 PolarHBondContact O-N 3.27Å; R39-T43 PolarHBondContact O-N 3.45Å; R39-T43 PolarHBondContact O-OG1 3.08Å |
| 40 | L | 32.5 | Very low | 37.4 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 62% | 0.618 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.3 | -34.7 | 175.3 | -83.3 | 161.4 | 0 | 0 | 0 | 112.6 | G36 A44 | G36-L40 WeakPolarHBondContact O-CB 3.14Å; G36-L40 WeakPolarHBondContact O-CG 3.42Å; G36-L40 PolarHBondContact O-N 3.03Å; L40-A44 WeakPolarHBondContact O-CB 3.49Å; L40-A44 PolarHBondContact O-N 3.35Å |
| 41 | R | 30.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 123.3 Ų | 123.3 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71 | -38.1 | 172.6 | -78.6 | -179.4 | 167.8 | -176.2 | -6.9 | 112.7 | R37 N38 R39 G45 | R37-R41 WeakPolarHBondContact O-CG 3.39Å; R37-R41 PolarHBondContact O-N 2.95Å; N38-R41 PolarHBondContact O-N 3.45Å; R39-R41 VanDerWaalsContact C-N 3.32Å; R39-R41 PolarHBondContact O-N 2.92Å; R41-G45 PolarHBondContact O-N 3.15Å |
| 42 | V | 31.2 | Very low | 34.1 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.4 | -32.2 | 176.5 | 173 | 0 | 0 | 0 | 0 | 112.2 | N38 R39 | N38-V42 VanDerWaalsContact O-CG2 3.32Å; N38-V42 WeakPolarHBondContact O-CG2 3.47Å; N38-V42 PolarHBondContact O-N 3.03Å; R39-V42 PolarHBondContact O-N 3.27Å |
| 43 | T | 31.3 | Very low | 32.6 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 51% | 0.509 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -90.8 | -26.1 | 177.6 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | R39 G45 F46 | R39-T43 PolarHBondContact O-N 3.45Å; R39-T43 PolarHBondContact O-OG1 3.08Å; T43-G45 VanDerWaalsContact C-N 3.25Å; T43-G45 PolarHBondContact O-N 2.85Å; T43-F46 PolarHBondContact O-N 3.15Å |
| 44 | A | 30.7 | Very low | 31.3 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 60% | 0.595 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.2 | -17.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L40 F46 | L40-A44 WeakPolarHBondContact O-CB 3.49Å; L40-A44 PolarHBondContact O-N 3.35Å; A44-F46 PolarHBondContact O-N 2.99Å |
| 45 | G | 29.2 | Very low | 30.4 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -8.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R41 T43 W47 | R41-G45 PolarHBondContact O-N 3.15Å; T43-G45 VanDerWaalsContact C-N 3.25Å; T43-G45 PolarHBondContact O-N 2.85Å; G45-W47 PolarHBondContact O-N 3Å |
| 46 | F | 27.1 | Very low | 29.5 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 77% | 0.768 | 70% | 0.696 | S | S | * | * | trans | -100.8 | 44 | -173.5 | -97.2 | -88.3 | 0 | 0 | 0 | 113.9 | T43 A44 | T43-F46 PolarHBondContact O-N 3.15Å; A44-F46 PolarHBondContact O-N 2.99Å | ||
| 47 | W | 24.3 | Very low | 28.8 | Very low | 214 Ų | 214 | 150.9 Ų | 150.9 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | trans | -139.3 | 90.5 | 178.8 | -74.9 | 91 | 0 | 0 | 0 | 114.2 | G45 | G45-W47 PolarHBondContact O-N 3Š| ||
| 48 | R | 26.3 | Very low | 28.2 | Very low | 243 Ų | 243 | 153 Ų | 153 | 92% | 0.917 | 73% | 0.728 | S | S | * | * | trans | -179.1 | 155.6 | 131.2 | -97 | 164.8 | -167.1 | -136.6 | 1.7 | 111.1 | ||||
| 49 | P | 25.8 | Very low | 27.8 | Very low | 101 Ų | 101 | 153.3 Ų | 153.3 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | trans | -110.4 | 179.5 | -130.8 | 13.8 | 8.1 | 0 | 0 | 0 | 114.8 | C51 | P49-C51 PolarHBondContact O-N 2.93Å; P49-C51 PolarHBondContact O-SG 3.49Å; P49-C51 VanDerWaalsContact O-SG 3.42Å | ||
| 50 | D | 24.9 | Very low | 27.5 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | trans | -36.8 | 92.7 | 171.7 | -73.5 | -97.7 | 0 | 0 | 0 | 114.5 | K53 | D50-K53 IonicContact OD1-NZ 2.75Å; D50-K53 PolarHBondContact OD1-NZ 2.86Å | ||
| 51 | C | 24.9 | Very low | 27.1 | Very low | 95 Ų | 95 | 151.6 Ų | 151.6 | 64% | 0.642 | 75% | 0.749 | S | S | * | * | trans | -128.5 | 2.4 | -179.8 | -74 | 0 | 0 | 0 | 0 | 115.6 | P49 | P49-C51 PolarHBondContact O-N 2.93Å; P49-C51 PolarHBondContact O-SG 3.49Å; P49-C51 VanDerWaalsContact O-SG 3.42Å | ||
| 52 | Y | 26.7 | Very low | 26.8 | Very low | 223 Ų | 223 | 150.8 Ų | 150.8 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | trans | -137 | 39.9 | 170.9 | -79.2 | -74.4 | 0 | 0 | 0 | 114.7 | K54 | Y52-K54 PolarHBondContact O-N 2.86Š| ||
| 53 | K | 26.1 | Very low | 26.6 | Very low | 166 Ų | 166 | 154.6 Ų | 154.6 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -72.3 | 100.3 | 151.7 | -84.9 | 172 | 176.8 | 140.4 | 0 | 108.5 | D50 | D50-K53 IonicContact OD1-NZ 2.75Å; D50-K53 PolarHBondContact OD1-NZ 2.86Å | ||
| 54 | K | 26.4 | Very low | 26.4 | Very low | 207 Ų | 207 | 156.5 Ų | 156.5 | 90% | 0.9 | 78% | 0.78 | S | S | * | * | trans | 137.9 | 73.4 | 163.9 | -78.1 | 169.7 | -178.5 | -179.7 | 0 | 112.6 | Y52 | Y52-K54 PolarHBondContact O-N 2.86Š| ||
| 55 | S | 27.3 | Very low | 26.3 | Very low | 113 Ų | 113 | 160.3 Ų | 160.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -146.4 | 130.7 | 136.6 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 56 | R | 27.7 | Very low | 26.1 | Very low | 241 Ų | 241 | 161.4 Ų | 161.4 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -38.1 | 132.8 | -178.8 | -70.5 | 167.1 | 172.1 | 172.8 | -6 | 112.6 | ||||
| 57 | Q | 24.6 | Very low | 26.1 | Very low | 170 Ų | 170 | 157.3 Ų | 157.3 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | cis | 64.7 | 121.9 | 36.6 | -151.5 | -173 | 33.8 | 0 | 0 | 113.7 | ||||
| 58 | R | 26.3 | Very low | 26.1 | Very low | 230 Ų | 230 | 154.4 Ų | 154.4 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | 83.2 | 125.1 | -174.9 | -52 | 176.7 | -177.8 | -166.3 | -3.2 | 113.4 | ||||
| 59 | S | 25.7 | Very low | 26.2 | Very low | 108 Ų | 108 | 150.7 Ų | 150.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | cis | 83 | 91.6 | 34 | -172.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 60 | E | 27.2 | Very low | 26.2 | Very low | 188 Ų | 188 | 151 Ų | 151 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -174.1 | 126.2 | 151.3 | -97.3 | 142.5 | -167.6 | 0 | 0 | 103.8 | ||||
| 61 | A | 24.4 | Very low | 26.2 | Very low | 82 Ų | 82 | 151.2 Ų | 151.2 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | cis | 80.3 | 120.3 | 44.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 62 | D | 24.9 | Very low | 26.3 | Very low | 157 Ų | 157 | 152 Ų | 152 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | 69.2 | 164.7 | 158.6 | -57 | -35.6 | 0 | 0 | 0 | 121.7 | ||||
| 63 | E | 27.7 | Very low | 26.3 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 74.6 | 95.3 | 175.3 | -54.3 | -169.9 | 158.4 | 0 | 0 | 116.3 | ||||
| 64 | V | 26.3 | Very low | 26.4 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | 78.1 | 99.7 | 56.9 | -178.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 65 | D | 28.4 | Very low | 26.4 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | 172.5 | 122.8 | 129.9 | -93.4 | -21.3 | 0 | 0 | 0 | 108.4 | |||||
| 66 | A | 25.1 | Very low | 26.2 | Very low | 91 Ų | 91 | 142.1 Ų | 142.1 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | cis | 82.6 | 74.9 | 27.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 67 | A | 27.4 | Very low | 26.1 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -174.9 | 113 | 141.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 68 | N | 24.5 | Very low | 26.1 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | 66.9 | 152 | 75.3 | -85.9 | -23.8 | 0 | 0 | 0 | 116 | |||||
| 69 | H | 28 | Very low | 26.1 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 86.4 | 126.9 | -178.6 | -53.1 | -76.1 | 0 | 0 | 0 | 115.7 | ||||
| 70 | T | 26.2 | Very low | 26.1 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | cis | -166.9 | 145.8 | -5.1 | 5.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 71 | T | 24.9 | Very low | 25.9 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 38.2 | 138.2 | 146 | 57 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 72 | S | 27.3 | Very low | 25.9 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | cis | -169.3 | -168.3 | 4 | 54.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 73 | Q | 26.3 | Very low | 25.8 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | -154 | 147.6 | 6.6 | -162.5 | -179.9 | 39.1 | 0 | 0 | 109 | ||||
| 74 | P | 28.3 | Very low | 25.7 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -108.5 | 135.6 | -172.8 | 37.1 | -29.5 | 0 | 0 | 0 | 114.8 | ||||
| 75 | V | 25 | Very low | 25.4 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -144.1 | 126.5 | 170.3 | -177.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 76 | A | 24.9 | Very low | 25.1 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | trans | 51.9 | 96.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 77 | S | 24.6 | Very low | 25 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | 10.8 | 119.9 | 126.2 | 58.9 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 78 | V | 25.5 | Very low | 24.8 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -128.2 | 102.9 | 151.7 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | P | 25.1 | Very low | 24.6 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -94.1 | 120.9 | 169 | 33.2 | -27 | 0 | 0 | 0 | 110.1 | ||||
| 80 | R | 26.2 | Very low | 24.3 | Very low | 241 Ų | 241 | 136 Ų | 136 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -153.6 | 113.4 | 156.9 | -116.9 | 161.6 | -169.3 | 165.5 | 3.6 | 113.3 | ||||
| 81 | T | 23 | Very low | 24.1 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -60.8 | 147.2 | 169.7 | 41.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 82 | R | 23.4 | Very low | 23.9 | Very low | 238 Ų | 238 | 139.9 Ų | 139.9 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | -175.2 | 163.3 | 113.6 | -98.2 | -177.1 | -179.2 | -169.4 | 0.4 | 111.6 | |||||
| 83 | P | 23.2 | Very low | 23.8 | Very low | 103 Ų | 103 | 139 Ų | 139 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | -101.5 | 156 | -143.4 | 38.2 | -37.1 | 0 | 0 | 0 | 114.8 | ||||
| 84 | L | 25.4 | Very low | 23.6 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | -119.7 | 82.7 | 151.2 | -86.6 | 161.5 | 0 | 0 | 0 | 108 | ||||
| 85 | S | 21.7 | Very low | 23.7 | Very low | 77 Ų | 77 | 139.7 Ų | 139.7 | 54% | 0.538 | 75% | 0.746 | S | S | . | * | trans | -62.5 | 162.3 | 155.2 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 86 | D | 21.9 | Very low | 23.8 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | trans | 90.3 | 15.6 | 166.2 | -44.8 | -23.5 | 0 | 0 | 0 | 118.7 | ||||
| 87 | F | 23.1 | Very low | 23.8 | Very low | 171 Ų | 171 | 141 Ų | 141 | 75% | 0.75 | 74% | 0.742 | S | S | * | * | trans | -102.6 | 97.9 | 158 | -82.6 | -82.5 | 0 | 0 | 0 | 111.6 | ||||
| 88 | A | 21.7 | Very low | 23.8 | Very low | 62 Ų | 62 | 137.9 Ų | 137.9 | 51% | 0.512 | 73% | 0.726 | S | S | . | * | trans | -71.7 | 141.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F90 | A88-F90 HydrophobicContact CB-CD2 4.33Å; A88-F90 HydrophobicContact CB-CE2 3.7Å; A88-F90 HydrophobicContact CB-CZ 4.06Å; A88-F90 WeakPolarHBondContact O-CD2 3.12Å; A88-F90 PolarHBondContact O-N 2.79Å; A88-F90 VanDerWaalsContact O-N 3.15Å | ||
| 89 | P | 20.7 | Very low | 23.9 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 84% | 0.844 | 70% | 0.703 | S | S | * | * | trans | -83.5 | 92.4 | -173.8 | 33.1 | -34.9 | 0 | 0 | 0 | 111.7 | S91 | P89-S91 PolarHBondContact O-N 2.88Å; P89-S91 VanDerWaalsContact O-N 3.08Å | ||
| 90 | F | 22.9 | Very low | 23.9 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | trans | -83.7 | 88.6 | 178.3 | -70.7 | -69.2 | 0 | 0 | 0 | 112.9 | A88 | A88-F90 HydrophobicContact CB-CD2 4.33Å; A88-F90 HydrophobicContact CB-CE2 3.7Å; A88-F90 HydrophobicContact CB-CZ 4.06Å; A88-F90 WeakPolarHBondContact O-CD2 3.12Å; A88-F90 PolarHBondContact O-N 2.79Å; A88-F90 VanDerWaalsContact O-N 3.15Å | ||
| 91 | S | 21.4 | Very low | 23.9 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | trans | 42.5 | 115.3 | 146.3 | 59.3 | 0 | 0 | 0 | 0 | 119.3 | P89 T93 | P89-S91 PolarHBondContact O-N 2.88Å; P89-S91 VanDerWaalsContact O-N 3.08Å; S91-T93 PolarHBondContact O-N 2.88Å | ||
| 92 | R | 20.5 | Very low | 24.1 | Very low | 234 Ų | 234 | 130.8 Ų | 130.8 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | trans | -46.5 | 107.6 | 162.6 | -74.6 | 177.7 | 167.6 | 175.2 | -6.7 | 111.7 | ||||
| 93 | T | 24.2 | Very low | 24.2 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 57% | 0.571 | 67% | 0.672 | S | S | * | * | trans | -84.7 | 114.1 | 168.7 | 31.6 | 0 | 0 | 0 | 0 | 109.9 | S91 | S91-T93 PolarHBondContact O-N 2.88Š| ||
| 94 | V | 23.3 | Very low | 24.3 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 81% | 0.806 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 142.3 | 177 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 95 | R | 29.8 | Very low | 24.3 | Very low | 169 Ų | 169 | 124.2 Ų | 124.2 | 64% | 0.638 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 132.5 | 174.4 | 178 | 179.2 | -179.7 | 143.6 | 1.2 | 111.1 | D97 | R95-D97 PolarHBondContact O-N 2.92Š|
| 96 | P | 27 | Very low | 24.6 | Very low | 78 Ų | 78 | 121.4 Ų | 121.4 | 51% | 0.506 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 122.4 | 170 | -20.5 | 32.4 | 0 | 0 | 0 | 111 | G98 | P96-G98 PolarHBondContact O-N 2.84Š|
| 97 | D | 25.4 | Very low | 24.9 | Very low | 165 Ų | 165 | 117 Ų | 117 | 88% | 0.882 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 126.8 | 168.8 | -72.7 | -41.5 | 0 | 0 | 0 | 109.7 | R95 | R95-D97 PolarHBondContact O-N 2.92Š|
| 98 | G | 25.2 | Very low | 25.3 | Very low | 42 Ų | 42 | 108.9 Ų | 108.9 | 43% | 0.433 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 113.2 | 10 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | P96 E100 | P96-G98 PolarHBondContact O-N 2.84Å; G98-E100 PolarHBondContact O-N 3.12Å |
| 99 | L | 26.9 | Very low | 25.7 | Very low | 70 Ų | 70 | 109.8 Ų | 109.8 | 37% | 0.366 | 55% | 0.547 | S | S | . | . | trans | -73.9 | 67.3 | 172.7 | -142.5 | 131.7 | 0 | 0 | 0 | 111.5 | ||||
| 100 | E | 25.3 | Very low | 26.1 | Very low | 167 Ų | 167 | 103.8 Ų | 103.8 | 78% | 0.78 | 51% | 0.509 | S | S | * | . | trans | -69.7 | 157.5 | 175.3 | -66.5 | -170.7 | 156 | 0 | 0 | 111.7 | G98 S102 | G98-E100 PolarHBondContact O-N 3.12Å; E100-S102 PolarHBondContact O-N 2.92Å | ||
| 101 | R | 26.4 | Very low | 26.4 | Very low | 187 Ų | 187 | 99.9 Ų | 99.9 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | trans | -66.9 | 66.8 | -175.4 | -71.3 | 175.8 | 169.2 | 167.4 | -5.6 | 112.9 | R103 D335 | R101-R103 PolarHBondContact O-N 3.49Å; R101-D335 IonicContact CZ-OD2 3.16Å; R101-D335 IonicContact NH1-OD1 2.9Å; R101-D335 IonicContact NH1-OD2 3.8Å; R101-D335 PolarHBondContact NH1-OD2 3.03Å; R101-D335 IonicContact NH2-OD1 2.76Å; R101-D335 PolarHBondContact NH2-OD1 3.37Å; R101-D335 IonicContact NH2-OD2 2.72Å | ||
| 102 | S | 26.6 | Very low | 26.8 | Very low | 45 Ų | 45 | 97 Ų | 97 | 32% | 0.315 | 47% | 0.468 | S | S | . | . | trans | -72.3 | 117.1 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | E100 S104 R244 | E100-S102 PolarHBondContact O-N 2.92Å; S102-S104 PolarHBondContact O-N 3.04Å; S102-S104 VanDerWaalsContact O-N 3.08Å; S102-R244 WeakPolarHBondContact CB-O 3.47Å; S102-R244 PolarHBondContact OG-O 3.49Å | ||
| 103 | R | 25.3 | Very low | 27.1 | Very low | 225 Ų | 225 | 86.8 Ų | 86.8 | 85% | 0.849 | 44% | 0.436 | S | S | * | . | trans | -79.7 | 88 | -177.8 | -65.5 | 179.1 | 177 | -170.8 | -2.8 | 110.6 | R101 | R101-R103 PolarHBondContact O-N 3.49Š| ||
| 104 | S | 26.4 | Very low | 27.3 | Very low | 18 Ų | 18 | 91 Ų | 91 | 13% | 0.126 | 45% | 0.446 | C | S | . | . | trans | -113.5 | 124.9 | 166.7 | 32.7 | 0 | 0 | 0 | 0 | 110.2 | S102 S106 R244 | S102-S104 PolarHBondContact O-N 3.04Å; S102-S104 VanDerWaalsContact O-N 3.08Å; S104-S106 PolarHBondContact O-N 3.46Å; S104-R244 WeakPolarHBondContact OG-CB 3.31Å; S104-R244 PolarHBondContact OG-N 2.87Å | ||
| 105 | N | 25.7 | Very low | 27.5 | Very low | 126 Ų | 126 | 91.1 Ų | 91.1 | 67% | 0.674 | 44% | 0.438 | S | S | * | . | trans | -96.1 | 73.1 | 176 | -71 | -13.3 | 0 | 0 | 0 | 108.5 | R241 | N105-R241 PolarHBondContact OD1-NH2 3.4Š| ||
| 106 | S | 28 | Very low | 27.3 | Very low | 19 Ų | 19 | 91.3 Ų | 91.3 | 13% | 0.133 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141 | 174 | 33.4 | 0 | 0 | 0 | 0 | 109.2 | S104 L242 | S104-S106 PolarHBondContact O-N 3.46Å; S106-L242 WeakPolarHBondContact O-CB 3.36Å; S106-L242 PolarHBondContact O-N 2.84Å; S106-L242 VanDerWaalsContact OG-CB 3.31Å; S106-L242 WeakPolarHBondContact OG-CB 3.25Å |
| 107 | E | 28 | Very low | 27.3 | Very low | 59 Ų | 59 | 95 Ų | 95 | 28% | 0.276 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.4 | -167.4 | -58.8 | -177.5 | -171.7 | 0 | 0 | 109.6 | R239 V271 | E107-R239 IonicContact OE1-CZ 3.62Å; E107-R239 IonicContact OE1-NE 3.73Å; E107-R239 IonicContact OE1-NH2 2.91Å; E107-R239 PolarHBondContact OE1-NH2 3.23Å; E107-R239 IonicContact OE2-CZ 3.2Å; E107-R239 IonicContact OE2-NE 2.7Å; E107-R239 PolarHBondContact OE2-NE 2.89Å; E107-R239 IonicContact OE2-NH2 3.75Å; E107-R239 PolarHBondContact OE2-NH2 3.1Å; E107-V271 VanDerWaalsContact O-O 3.14Å |
| 108 | I | 30.5 | Very low | 27.4 | Very low | 0 Ų | 0 | 94 Ų | 94 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 141 | 174.1 | -78.3 | 162.2 | 0 | 0 | 0 | 107.5 | A110 M155 R239 S240 L242 T268 Y270 | I108-A110 HydrophobicContact CG2-CB 4.27Å; I108-M155 HydrophobicContact CD1-CE 3.51Å; I108-R239 CarbonylContact O-C 3.54Å; I108-R239 VanDerWaalsContact O-CA 3.31Å; I108-R239 WeakPolarHBondContact O-CA 3.13Å; I108-S240 VanDerWaalsContact CB-OG 3.32Å; I108-S240 WeakPolarHBondContact CB-OG 3.32Å; I108-S240 VanDerWaalsContact CG2-OG 3.26Å; I108-S240 WeakPolarHBondContact CG2-OG 3.34Å; I108-S240 PolarHBondContact N-O 2.95Å; I108-S240 PolarHBondContact O-N 2.87Å; I108-L242 HydrophobicContact CD1-CD1 4.04Å; I108-L242 HydrophobicContact CD1-CD2 3.46Å; I108-L242 VanDerWaalsContact CD1-CD2 3.46Å; I108-L242 HydrophobicContact CD1-CG 3.47Å; I108-L242 VanDerWaalsContact CD1-CG 3.47Å; I108-L242 HydrophobicContact CG1-CD1 3.86Å; I108-L242 HydrophobicContact CG1-CD2 4.24Å; I108-L242 HydrophobicContact CG1-CG 3.75Å; I108-T268 HydrophobicContact CG2-CG2 3.23Å; I108-Y270 HydrophobicContact CD1-CD1 4.32Å; I108-Y270 HydrophobicContact CD1-CE1 4.06Å; I108-Y270 HydrophobicContact CG1-CD1 3.85Å; I108-Y270 HydrophobicContact CG1-CE1 4.11Å |
| 109 | Y | 30.4 | Very low | 27.4 | Very low | 81 Ų | 81 | 94.2 Ų | 94.2 | 32% | 0.318 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.1 | 162.5 | -66.4 | -88.7 | 0 | 0 | 0 | 109.3 | L237 H238 R239 V269 V271 | Y109-L237 HydrophobicContact CD1-CB 4.07Å; Y109-H238 WeakPolarHBondContact CA-O 3.43Å; Y109-R239 HydrophobicContact CD1-CB 4.48Å; Y109-R239 HydrophobicContact CE1-CB 4.25Å; Y109-R239 HydrophobicContact CE1-CG 4.33Å; Y109-V269 PolarHBondContact N-O 3.48Å; Y109-V269 VanDerWaalsContact N-O 3.15Å; Y109-V269 PolarHBondContact O-N 2.91Å; Y109-V269 VanDerWaalsContact O-O 3.11Å; Y109-V271 HydrophobicContact CD2-CB 4.2Å; Y109-V271 HydrophobicContact CD2-CG2 3.77Å; Y109-V271 HydrophobicContact CE2-CB 4.38Å; Y109-V271 HydrophobicContact CE2-CG2 4.31Å |
| 110 | A | 29.9 | Very low | 27.4 | Very low | 4 Ų | 4 | 99.3 Ų | 99.3 | 3% | 0.033 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110 | I108 H238 F264 T268 | I108-A110 HydrophobicContact CG2-CB 4.27Å; A110-H238 PolarHBondContact N-O 3.44Å; A110-H238 WeakPolarHBondContact O-CB 2.94Å; A110-H238 PolarHBondContact O-N 3.45Å; A110-F264 HydrophobicContact CB-CD2 4.3Å; A110-F264 HydrophobicContact CB-CE2 3.31Å; A110-F264 HydrophobicContact CB-CZ 3.66Å; A110-T268 HydrophobicContact CB-CG2 4.24Å |
| 111 | Y | 28 | Very low | 27.4 | Very low | 96 Ų | 96 | 98.8 Ų | 98.8 | 38% | 0.376 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 130.4 | -177 | 176.8 | -96.9 | 0 | 0 | 0 | 111.1 | F235 F264 M265 G266 R267 | Y111-F235 HydrophobicContact CE2-CB 4.24Å; Y111-F235 AromaticContact CE2-CD1 3.64Å; Y111-F235 HydrophobicContact CE2-CD1 3.64Å; Y111-F235 HydrophobicContact CE2-CE1 4.27Å; Y111-F235 HydrophobicContact CE2-CG 4.1Å; Y111-F264 WeakPolarHBondContact O-CE2 3.49Å; Y111-M265 CarbonylContact O-C 3.5Å; Y111-G266 VanDerWaalsContact O-CA 3.31Å; Y111-G266 WeakPolarHBondContact O-CA 3.46Å; Y111-R267 PolarHBondContact N-O 3.45Å |
| 112 | V | 29.1 | Very low | 27.4 | Very low | 26 Ų | 26 | 96.9 Ų | 96.9 | 16% | 0.158 | 47% | 0.468 | C | S | . | . | trans | -109.2 | 93.3 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | K114 P236 H238 F264 | V112-K114 PolarHBondContact O-N 2.63Å; V112-P236 HydrophobicContact CB-CG 4.26Å; V112-P236 PolarHBondContact N-O 3.08Å; V112-P236 WeakPolarHBondContact O-CG 3.47Å; V112-H238 HydrophobicContact CG2-CB 3.75Å; V112-F264 HydrophobicContact CG2-CD2 4.29Å | ||
| 113 | G | 27.2 | Very low | 27.5 | Very low | 20 Ų | 20 | 98.2 Ų | 98.2 | 21% | 0.206 | 48% | 0.478 | C | S | . | . | trans | -63.7 | 120.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q115 M265 | G113-Q115 PolarHBondContact O-N 3.19Å; G113-Q115 VanDerWaalsContact O-N 3.15Å; G113-M265 PolarHBondContact N-O 2.8Å | ||
| 114 | K | 29 | Very low | 27.5 | Very low | 180 Ų | 180 | 94.9 Ų | 94.9 | 78% | 0.783 | 48% | 0.477 | S | S | * | . | trans | -66.8 | 112.1 | 171.2 | -82 | -174.1 | 174.3 | 178.6 | 0 | 110 | V112 Q116 | V112-K114 PolarHBondContact O-N 2.63Å; K114-Q116 PolarHBondContact O-N 2.83Å | ||
| 115 | Q | 27.5 | Very low | 27.5 | Very low | 136 Ų | 136 | 97.8 Ų | 97.8 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | trans | -63.8 | 98.8 | 157.2 | -77.5 | -174.9 | -15.4 | 0 | 0 | 109.3 | G113 | G113-Q115 PolarHBondContact O-N 3.19Å; G113-Q115 VanDerWaalsContact O-N 3.15Å | ||
| 116 | Q | 25.7 | Very low | 27.5 | Very low | 173 Ų | 173 | 97 Ų | 97 | 81% | 0.808 | 49% | 0.494 | S | S | * | . | trans | -174.6 | 136.1 | 149.8 | -99.4 | 145.9 | 38.4 | 0 | 0 | 108.7 | K114 | K114-Q116 PolarHBondContact O-N 2.83Š| ||
| 117 | N | 25.9 | Very low | 27.5 | Very low | 156 Ų | 156 | 101.5 Ų | 101.5 | 83% | 0.834 | 53% | 0.525 | S | S | * | . | trans | 75.5 | 58 | 178.5 | -53.6 | -18.2 | 0 | 0 | 0 | 117.7 | G119 | N117-G119 PolarHBondContact O-N 3.29Š| ||
| 118 | F | 28.7 | Very low | 27.4 | Very low | 143 Ų | 143 | 104.8 Ų | 104.8 | 63% | 0.627 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -66.5 | 17.3 | 162.7 | -92.1 | -85.8 | 0 | 0 | 0 | 114.9 | H120 Y121 | F118-H120 VanDerWaalsContact C-N 3.34Å; F118-H120 PolarHBondContact O-N 3.23Å; F118-Y121 AromaticContact CD1-CD2 3.48Å; F118-Y121 HydrophobicContact CD1-CD2 3.48Å; F118-Y121 VanDerWaalsContact CD1-CD2 3.48Å; F118-Y121 AromaticContact CD1-CE2 3.7Å; F118-Y121 HydrophobicContact CD1-CE2 3.7Å; F118-Y121 HydrophobicContact CD1-CG 4.17Å; F118-Y121 AromaticContact CE1-CD2 3.77Å; F118-Y121 HydrophobicContact CE1-CD2 3.77Å; F118-Y121 AromaticContact CE1-CE2 3.49Å; F118-Y121 HydrophobicContact CE1-CE2 3.49Å; F118-Y121 VanDerWaalsContact CE1-CE2 3.49Å; F118-Y121 HydrophobicContact CE1-CG 4.45Å; F118-Y121 AromaticContact CE1-CZ 3.98Å; F118-Y121 HydrophobicContact CG-CD2 4.46Å; F118-Y121 HydrophobicContact CZ-CE2 4.38Å |
| 119 | G | 24.9 | Very low | 27.1 | Very low | 47 Ų | 47 | 108 Ų | 108 | 49% | 0.485 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -74.9 | -12.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | N117 L122 | N117-G119 PolarHBondContact O-N 3.29Å; G119-L122 WeakPolarHBondContact O-CD1 3.38Å |
| 120 | H | 27.3 | Very low | 26.9 | Very low | 177 Ų | 177 | 111.5 Ų | 111.5 | 82% | 0.819 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -123.6 | 13.6 | -174.2 | -72.8 | -73 | 0 | 0 | 0 | 115.3 | F118 L122 | F118-H120 VanDerWaalsContact C-N 3.34Å; F118-H120 PolarHBondContact O-N 3.23Å; H120-L122 PolarHBondContact O-N 3.34Å; H120-L122 VanDerWaalsContact O-N 3.08Å |
| 121 | Y | 25.8 | Very low | 26.7 | Very low | 157 Ų | 157 | 118.2 Ų | 118.2 | 62% | 0.616 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -0 | 165.4 | -97.4 | -95.3 | 0 | 0 | 0 | 113.6 | F118 I125 | F118-Y121 AromaticContact CD1-CD2 3.48Å; F118-Y121 HydrophobicContact CD1-CD2 3.48Å; F118-Y121 VanDerWaalsContact CD1-CD2 3.48Å; F118-Y121 AromaticContact CD1-CE2 3.7Å; F118-Y121 HydrophobicContact CD1-CE2 3.7Å; F118-Y121 HydrophobicContact CD1-CG 4.17Å; F118-Y121 AromaticContact CE1-CD2 3.77Å; F118-Y121 HydrophobicContact CE1-CD2 3.77Å; F118-Y121 AromaticContact CE1-CE2 3.49Å; F118-Y121 HydrophobicContact CE1-CE2 3.49Å; F118-Y121 VanDerWaalsContact CE1-CE2 3.49Å; F118-Y121 HydrophobicContact CE1-CG 4.45Å; F118-Y121 AromaticContact CE1-CZ 3.98Å; F118-Y121 HydrophobicContact CG-CD2 4.46Å; F118-Y121 HydrophobicContact CZ-CE2 4.38Å; Y121-I125 HydrophobicContact CD1-CD1 3.82Å; Y121-I125 HydrophobicContact CE1-CD1 4.36Å |
| 122 | L | 26.4 | Very low | 26.5 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 76% | 0.764 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -8.2 | -157 | -96.9 | 135 | 0 | 0 | 0 | 117.1 | G119 H120 | G119-L122 WeakPolarHBondContact O-CD1 3.38Å; H120-L122 PolarHBondContact O-N 3.34Å; H120-L122 VanDerWaalsContact O-N 3.08Å |
| 123 | S | 26.8 | Very low | 26.4 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 52% | 0.517 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -121.5 | -18.5 | -165.9 | 58 | 0 | 0 | 0 | 0 | 118.1 | C126 | S123-C126 PolarHBondContact O-SG 3.31Š|
| 124 | N | 26.2 | Very low | 26.2 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 83% | 0.829 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -131.1 | 16.8 | -171.8 | -79.8 | -35.8 | 0 | 0 | 0 | 114.9 | C126 | N124-C126 VanDerWaalsContact C-N 3.29Š|
| 125 | I | 26.7 | Very low | 25.9 | Very low | 79 Ų | 79 | 126.9 Ų | 126.9 | 41% | 0.405 | 67% | 0.668 | S | S | . | * | trans | -92.1 | 11.6 | 174.7 | -83.9 | -173.3 | 0 | 0 | 0 | 111.8 | Y121 S127 P129 | Y121-I125 HydrophobicContact CD1-CD1 3.82Å; Y121-I125 HydrophobicContact CE1-CD1 4.36Å; I125-S127 PolarHBondContact O-N 2.81Å; I125-P129 HydrophobicContact CB-CG 3.83Å; I125-P129 HydrophobicContact CD1-CG 4.02Å; I125-P129 HydrophobicContact CG1-CG 3.56Å; I125-P129 HydrophobicContact CG2-CG 3.59Å; I125-P129 WeakPolarHBondContact O-CD 3.13Å | ||
| 126 | C | 26.2 | Very low | 25.8 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | trans | -71.7 | 30.2 | -161.6 | -57.1 | 0 | 0 | 0 | 0 | 117.7 | S123 N124 | S123-C126 PolarHBondContact O-SG 3.31Å; N124-C126 VanDerWaalsContact C-N 3.29Å | ||
| 127 | S | 26.9 | Very low | 25.7 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 79% | 0.79 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -149.3 | -47.7 | 170.1 | 57.6 | 0 | 0 | 0 | 0 | 116.5 | I125 | I125-S127 PolarHBondContact O-N 2.81Š|
| 128 | N | 25.1 | Very low | 25.7 | Very low | 127 Ų | 127 | 116.7 Ų | 116.7 | 68% | 0.679 | 62% | 0.624 | S | S | * | * | trans | 173.7 | 99.5 | 160.2 | -101.8 | -42.6 | 0 | 0 | 0 | 113.4 | ||||
| 129 | P | 25.5 | Very low | 25.5 | Very low | 69 Ų | 69 | 114.5 Ų | 114.5 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | trans | -117.3 | 3.9 | 168.9 | 32.7 | -18.2 | 0 | 0 | 0 | 113.9 | I125 | I125-P129 HydrophobicContact CB-CG 3.83Å; I125-P129 HydrophobicContact CD1-CG 4.02Å; I125-P129 HydrophobicContact CG1-CG 3.56Å; I125-P129 HydrophobicContact CG2-CG 3.59Å; I125-P129 WeakPolarHBondContact O-CD 3.13Å | ||
| 130 | M | 26.4 | Very low | 25.6 | Very low | 153 Ų | 153 | 116.9 Ų | 116.9 | 75% | 0.754 | 62% | 0.616 | S | S | * | * | trans | -92.1 | 3.1 | -173.8 | -102.5 | -166 | 149.8 | 0 | 0 | 115.8 | ||||
| 131 | Q | 26 | Very low | 25.5 | Very low | 146 Ų | 146 | 111.5 Ų | 111.5 | 68% | 0.682 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -90 | -3.5 | -170.8 | -102.5 | -178.5 | -5.6 | 0 | 0 | 116.4 | ||
| 132 | Y | 23.8 | Very low | 25.5 | Very low | 184 Ų | 184 | 111.5 Ų | 111.5 | 72% | 0.722 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -135.2 | 15.6 | -179.4 | -68.6 | -73.8 | 0 | 0 | 0 | 115.1 | V134 | Y132-V134 PolarHBondContact O-N 2.93Š|
| 133 | D | 25.7 | Very low | 25.6 | Very low | 126 Ų | 126 | 107 Ų | 107 | 67% | 0.674 | 58% | 0.576 | S | S | * | * | trans | -75.4 | 67.1 | 163.7 | -77.6 | -28 | 0 | 0 | 0 | 110 | P135 | D133-P135 WeakPolarHBondContact O-CD 3.45Š| ||
| 134 | V | 23.6 | Very low | 25.6 | Very low | 116 Ų | 116 | 110.8 Ų | 110.8 | 70% | 0.703 | 59% | 0.59 | S | S | * | * | trans | -69.6 | 120.3 | 163.5 | 179.9 | 0 | 0 | 0 | 0 | 106.7 | Y132 A136 | Y132-V134 PolarHBondContact O-N 2.93Å; V134-A136 PolarHBondContact O-N 3.01Å; V134-A136 VanDerWaalsContact O-N 3.15Å | ||
| 135 | P | 23.4 | Very low | 25.6 | Very low | 77 Ų | 77 | 107.4 Ų | 107.4 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | trans | -59.3 | 123.8 | 175.6 | -18.2 | 29.7 | 0 | 0 | 0 | 108.9 | D133 Y137 | D133-P135 WeakPolarHBondContact O-CD 3.45Å; P135-Y137 HydrophobicContact CB-CD2 4.22Å; P135-Y137 HydrophobicContact CB-CE1 4.42Å; P135-Y137 HydrophobicContact CB-CE2 3.85Å; P135-Y137 HydrophobicContact CG-CE2 4.04Å; P135-Y137 WeakPolarHBondContact O-CD2 3.37Å; P135-Y137 PolarHBondContact O-N 2.78Å | ||
| 136 | A | 25.2 | Very low | 25.7 | Very low | 57 Ų | 57 | 110 Ų | 110 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | trans | -69.8 | 88.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | V134 S138 | V134-A136 PolarHBondContact O-N 3.01Å; V134-A136 VanDerWaalsContact O-N 3.15Å; A136-S138 VanDerWaalsContact C-N 3.33Å; A136-S138 PolarHBondContact O-N 3.12Å | ||
| 137 | Y | 23.5 | Very low | 25.9 | Very low | 158 Ų | 158 | 111.8 Ų | 111.8 | 62% | 0.62 | 61% | 0.61 | S | S | * | * | trans | -66.5 | 92.3 | 176.2 | -68.6 | -80.8 | 0 | 0 | 0 | 109.4 | P135 Q139 | P135-Y137 HydrophobicContact CB-CD2 4.22Å; P135-Y137 HydrophobicContact CB-CE1 4.42Å; P135-Y137 HydrophobicContact CB-CE2 3.85Å; P135-Y137 HydrophobicContact CG-CE2 4.04Å; P135-Y137 WeakPolarHBondContact O-CD2 3.37Å; P135-Y137 PolarHBondContact O-N 2.78Å; Y137-Q139 PolarHBondContact O-N 2.78Å | ||
| 138 | S | 25.5 | Very low | 26.2 | Very low | 36 Ų | 36 | 108 Ų | 108 | 25% | 0.252 | 58% | 0.583 | S | S | . | * | trans | -62 | 111.6 | 158.6 | 42 | 0 | 0 | 0 | 0 | 107.7 | A136 I140 S153 | A136-S138 VanDerWaalsContact C-N 3.33Å; A136-S138 PolarHBondContact O-N 3.12Å; S138-I140 VanDerWaalsContact C-N 3.33Å; S138-I140 PolarHBondContact O-N 3.08Å; S138-S153 WeakPolarHBondContact CB-OG 3.48Å | ||
| 139 | Q | 25.2 | Very low | 26.4 | Very low | 98 Ų | 98 | 107.1 Ų | 107.1 | 46% | 0.458 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.8 | 100.8 | 164.3 | -82.3 | -168 | -8.6 | 0 | 0 | 107.2 | Y137 L141 S153 Q154 | Y137-Q139 PolarHBondContact O-N 2.78Å; Q139-L141 PolarHBondContact O-N 3.39Å; Q139-L141 VanDerWaalsContact O-N 3.16Å; Q139-S153 WeakPolarHBondContact O-CA 3Å; Q139-Q154 HydrophobicContact CB-CB 4.34Å; Q139-Q154 PolarHBondContact O-N 3.15Å |
| 140 | I | 26.4 | Very low | 26.6 | Very low | 96 Ų | 96 | 108.4 Ų | 108.4 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.4 | 102.5 | 171.4 | -61.1 | 176.5 | 0 | 0 | 0 | 107 | S138 E142 L151 | S138-I140 VanDerWaalsContact C-N 3.33Å; S138-I140 PolarHBondContact O-N 3.08Å; I140-E142 HydrophobicContact CG2-CG 4.2Å; I140-E142 PolarHBondContact O-N 3.37Å; I140-E142 VanDerWaalsContact O-N 3.08Å; I140-L151 HydrophobicContact CG2-CB 4.31Å; I140-L151 HydrophobicContact CG2-CD1 3.86Å; I140-L151 HydrophobicContact CG2-CD2 3.78Å; I140-L151 HydrophobicContact CG2-CG 4.19Å |
| 141 | L | 26.1 | Very low | 26.7 | Very low | 64 Ų | 64 | 102.2 Ų | 102.2 | 34% | 0.335 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 93.3 | 167.7 | -80.3 | 143.6 | 0 | 0 | 0 | 108.2 | Q139 N143 Y152 Y255 | Q139-L141 PolarHBondContact O-N 3.39Å; Q139-L141 VanDerWaalsContact O-N 3.16Å; L141-N143 PolarHBondContact O-N 3.48Å; L141-Y152 PolarHBondContact N-O 3.27Å; L141-Y255 HydrophobicContact CD1-CE1 4.4Å |
| 142 | E | 25.9 | Very low | 26.9 | Very low | 157 Ų | 157 | 98.7 Ų | 98.7 | 73% | 0.734 | 53% | 0.529 | S | S | * | . | trans | -64.5 | 120.2 | 163.7 | -68.8 | -164.9 | 132 | 0 | 0 | 109 | I140 D144 L151 | I140-E142 HydrophobicContact CG2-CG 4.2Å; I140-E142 PolarHBondContact O-N 3.37Å; I140-E142 VanDerWaalsContact O-N 3.08Å; E142-D144 PolarHBondContact O-N 3.2Å; E142-L151 HydrophobicContact CG-CD2 4.45Å | ||
| 143 | N | 27.4 | Very low | 27.3 | Very low | 53 Ų | 53 | 90 Ų | 90 | 28% | 0.283 | 50% | 0.496 | S | S | . | . | trans | -64.7 | 106.5 | 169.7 | -91.5 | -27.7 | 0 | 0 | 0 | 109.1 | L141 G145 S148 | L141-N143 PolarHBondContact O-N 3.48Å; N143-G145 PolarHBondContact O-N 3Å; N143-S148 PolarHBondContact ND2-OG 2.88Å | ||
| 144 | D | 27.2 | Very low | 27.6 | Very low | 152 Ų | 152 | 85.8 Ų | 85.8 | 81% | 0.813 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 104.8 | 164.4 | -87.8 | -32.9 | 0 | 0 | 0 | 109.5 | E142 Q146 | E142-D144 PolarHBondContact O-N 3.2Å; D144-Q146 PolarHBondContact O-N 3.16Å |
| 145 | G | 26.5 | Very low | 28.1 | Very low | 84 Ų | 84 | 81.1 Ų | 81.1 | 87% | 0.866 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 12.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | N143 | N143-G145 PolarHBondContact O-N 3Š|
| 146 | Q | 28.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 83.3 Ų | 83.3 | 62% | 0.621 | 45% | 0.446 | S | S | * | . | trans | -115.7 | 138.4 | 173.8 | -70.1 | -162.9 | -5.3 | 0 | 0 | 114.5 | D144 S148 | D144-Q146 PolarHBondContact O-N 3.16Å; Q146-S148 PolarHBondContact O-N 3.12Å | ||
| 147 | T | 30.4 | Very low | 28.6 | Very low | 149 Ų | 149 | 84.3 Ų | 84.3 | 91% | 0.914 | 46% | 0.462 | S | S | * | . | trans | -73.5 | 21.2 | -171 | 49.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 148 | S | 32.8 | Very low | 29 | Very low | 32 Ų | 32 | 79.1 Ų | 79.1 | 22% | 0.224 | 44% | 0.443 | C | S | . | . | trans | -78.7 | 132.7 | 177.8 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | N143 Q146 E150 K260 | N143-S148 PolarHBondContact ND2-OG 2.88Å; Q146-S148 PolarHBondContact O-N 3.12Å; S148-E150 PolarHBondContact O-N 3.25Å; S148-E150 VanDerWaalsContact O-N 3.12Å; S148-K260 VanDerWaalsContact O-CD 3.31Å; S148-K260 WeakPolarHBondContact O-CD 3.3Å; S148-K260 WeakPolarHBondContact O-CE 3.48Å; S148-K260 PolarHBondContact O-NZ 3.37Å | ||
| 149 | D | 29.3 | Very low | 29.1 | Very low | 109 Ų | 109 | 82.5 Ų | 82.5 | 58% | 0.583 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -75 | 14.7 | 169 | -66.8 | -37.4 | 0 | 0 | 0 | 113.3 | Q259 K260 | D149-Q259 CarbonylContact O-C 3.56Å; D149-Q259 WeakPolarHBondContact O-CA 3.39Å; D149-K260 PolarHBondContact O-N 2.78Å |
| 150 | E | 31.2 | Very low | 29.3 | Very low | 97 Ų | 97 | 82.9 Ų | 82.9 | 45% | 0.453 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136 | -177.9 | -62.1 | 178.3 | 169.9 | 0 | 0 | 110.6 | S148 V257 | S148-E150 PolarHBondContact O-N 3.25Å; S148-E150 VanDerWaalsContact O-N 3.12Å; E150-V257 HydrophobicContact CB-CG1 4.11Å; E150-V257 HydrophobicContact CG-CG1 4.21Å |
| 151 | L | 26.4 | Very low | 29.4 | Very low | 22 Ų | 22 | 80.6 Ų | 80.6 | 12% | 0.115 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.6 | 170 | -65.8 | 170.9 | 0 | 0 | 0 | 109.3 | I140 E142 V257 I258 K260 | I140-L151 HydrophobicContact CG2-CB 4.31Å; I140-L151 HydrophobicContact CG2-CD1 3.86Å; I140-L151 HydrophobicContact CG2-CD2 3.78Å; I140-L151 HydrophobicContact CG2-CG 4.19Å; E142-L151 HydrophobicContact CG-CD2 4.45Å; L151-V257 WeakPolarHBondContact O-CA 3.41Å; L151-I258 WeakPolarHBondContact CB-O 3.3Å; L151-I258 PolarHBondContact N-O 3.38Å; L151-I258 PolarHBondContact O-N 2.93Å; L151-K260 HydrophobicContact CD1-CG 4Å; L151-K260 HydrophobicContact CD2-CD 4.44Å; L151-K260 HydrophobicContact CD2-CG 3.8Å; L151-K260 HydrophobicContact CG-CB 4.49Å; L151-K260 HydrophobicContact CG-CG 3.57Å |
| 152 | Y | 32.1 | Very low | 29.5 | Very low | 72 Ų | 72 | 81.3 Ų | 81.3 | 28% | 0.282 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.2 | 173.5 | -68.2 | -97.1 | 0 | 0 | 0 | 108.7 | L141 V257 | L141-Y152 PolarHBondContact N-O 3.27Å; Y152-V257 HydrophobicContact CD1-CG2 4.21Å; Y152-V257 HydrophobicContact CE1-CG2 3.89Å |
| 153 | S | 31.8 | Very low | 29.5 | Very low | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.1 | 175.4 | 151.3 | 0 | 0 | 0 | 0 | 109.5 | S138 Q139 Y255 S256 | S138-S153 WeakPolarHBondContact CB-OG 3.48Å; Q139-S153 WeakPolarHBondContact O-CA 3Å; S153-Y255 WeakPolarHBondContact O-CA 3.21Å; S153-S256 WeakPolarHBondContact CB-OG 3.31Å; S153-S256 PolarHBondContact N-O 2.85Å; S153-S256 PolarHBondContact O-N 3.46Å; S153-S256 PolarHBondContact OG-OG 3.19Å |
| 154 | Q | 32.5 | Very low | 29.6 | Very low | 37 Ų | 37 | 77.8 Ų | 77.8 | 17% | 0.173 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 130.3 | 166.9 | -170 | 173.3 | 1.4 | 0 | 0 | 109.4 | Q139 P253 Y255 | Q139-Q154 HydrophobicContact CB-CB 4.34Å; Q139-Q154 PolarHBondContact O-N 3.15Å; Q154-P253 HydrophobicContact CG-CB 4.15Å; Q154-Y255 HydrophobicContact CB-CD1 4.01Å; Q154-Y255 HydrophobicContact CB-CE1 3.78Å; Q154-Y255 HydrophobicContact CG-CD1 4.38Å; Q154-Y255 HydrophobicContact CG-CE1 3.92Å |
| 155 | M | 33.8 | Very low | 29.6 | Very low | 17 Ų | 17 | 77.4 Ų | 77.4 | 8% | 0.084 | 42% | 0.418 | C | S | . | . | trans | -103.3 | 141.2 | -178.2 | -60.1 | -165 | -68.1 | 0 | 0 | 112.6 | I108 L254 T268 Y270 | I108-M155 HydrophobicContact CD1-CE 3.51Å; M155-L254 HydrophobicContact CE-CB 4.34Å; M155-L254 PolarHBondContact N-O 2.88Å; M155-T268 HydrophobicContact CE-CG2 4.01Å; M155-T268 HydrophobicContact SD-CG2 3.55Å; M155-T268 VanDerWaalsContact SD-CG2 3.55Å; M155-Y270 HydrophobicContact CE-CE1 3.69Å; M155-Y270 WeakPolarHBondContact CE-OH 3.49Å | ||
| 156 | H | 30.4 | Very low | 29.7 | Very low | 124 Ų | 124 | 80.5 Ų | 80.5 | 57% | 0.574 | 42% | 0.415 | S | S | * | . | trans | -131.6 | 130.1 | 178.3 | -74.7 | -9.1 | 0 | 0 | 0 | 110.4 | ||||
| 157 | G | 28.1 | Very low | 29.8 | Very low | 78 Ų | 78 | 77.9 Ų | 77.9 | 80% | 0.804 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 79.6 | 57.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 158 | H | 31.6 | Very low | 29.7 | Very low | 49 Ų | 49 | 74.6 Ų | 74.6 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | trans | -131 | 146.3 | -177.8 | -65.5 | -22.7 | 0 | 0 | 0 | 114.4 | Y270 | H158-Y270 HydrophobicContact CB-CE2 3.7Š| ||
| 159 | E | 28.3 | Very low | 29.6 | Very low | 106 Ų | 106 | 78 Ų | 78 | 50% | 0.495 | 41% | 0.409 | S | S | . | . | trans | -79.4 | 142.1 | -177.7 | -60.1 | 169.4 | 161.1 | 0 | 0 | 112.2 | Y161 Y270 | E159-Y161 HydrophobicContact CB-CE2 3.74Å; E159-Y161 PolarHBondContact OE2-OH 3.19Å; E159-Y270 WeakPolarHBondContact O-CD2 3.41Å | ||
| 160 | F | 28.9 | Very low | 29.7 | Very low | 107 Ų | 107 | 79 Ų | 79 | 47% | 0.469 | 41% | 0.414 | S | S | . | . | trans | -99.8 | 130 | -179.6 | -61.6 | -92.5 | 0 | 0 | 0 | 112 | L217 L254 Y270 | F160-L217 HydrophobicContact CB-CD1 4.05Å; F160-L217 HydrophobicContact CB-CD2 4.27Å; F160-L217 HydrophobicContact CB-CG 4.05Å; F160-L217 HydrophobicContact CD2-CD1 4.05Å; F160-L217 HydrophobicContact CG-CD1 4.47Å; F160-L254 HydrophobicContact CE1-CD1 3.86Å; F160-L254 HydrophobicContact CZ-CD1 4.4Å; F160-Y270 HydrophobicContact CD1-CD2 4.13Å; F160-Y270 HydrophobicContact CD1-CE2 4.4Å; F160-Y270 HydrophobicContact CE1-CD2 4.41Å; F160-Y270 HydrophobicContact CE1-CE2 4.25Å | ||
| 161 | Y | 28.7 | Very low | 29.7 | Very low | 47 Ų | 47 | 81.8 Ų | 81.8 | 18% | 0.184 | 43% | 0.432 | C | S | . | . | trans | -116.9 | 125.8 | 175.8 | -63.3 | -92.3 | 0 | 0 | 0 | 109.9 | E159 S219 I221 V269 | E159-Y161 HydrophobicContact CB-CE2 3.74Å; E159-Y161 PolarHBondContact OE2-OH 3.19Å; Y161-S219 WeakPolarHBondContact CD1-O 3.33Å; Y161-S219 WeakPolarHBondContact CE1-O 3.49Å; Y161-I221 HydrophobicContact CD1-CD1 4.16Å; Y161-I221 HydrophobicContact CD1-CG1 4.17Å; Y161-I221 HydrophobicContact CE1-CD1 4.16Å; Y161-I221 HydrophobicContact CE1-CG1 4.15Å; Y161-V269 HydrophobicContact CD2-CG1 4.11Å | ||
| 162 | D | 27.4 | Very low | 29.7 | Very low | 79 Ų | 79 | 85.3 Ų | 85.3 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | trans | -113 | 136.6 | 176.2 | -165.7 | 34.4 | 0 | 0 | 0 | 110 | S272 | D162-S272 WeakPolarHBondContact OD1-CB 3.36Å; D162-S272 PolarHBondContact OD1-OG 3.05Å | ||
| 163 | N | 26.2 | Very low | 29.4 | Very low | 88 Ų | 88 | 85.1 Ų | 85.1 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | trans | 55.6 | 81.2 | -176.9 | -46.9 | -72.7 | 0 | 0 | 0 | 115.1 | R165 | N163-R165 PolarHBondContact O-N 2.88Š| ||
| 164 | I | 29.4 | Very low | 29 | Very low | 49 Ų | 49 | 96.6 Ų | 96.6 | 25% | 0.251 | 54% | 0.536 | S | S | . | . | trans | -64.7 | 115.2 | 148.6 | -63.9 | -173.1 | 0 | 0 | 0 | 105.9 | V271 | I164-V271 HydrophobicContact CB-CG1 4.4Å; I164-V271 HydrophobicContact CD1-CB 4.31Å; I164-V271 HydrophobicContact CD1-CG1 3.73Å; I164-V271 HydrophobicContact CD1-CG2 3.6Å; I164-V271 HydrophobicContact CG1-CG1 4.06Å | ||
| 165 | R | 28 | Very low | 28.7 | Very low | 143 Ų | 143 | 102 Ų | 102 | 54% | 0.54 | 57% | 0.566 | S | S | . | * | trans | -77 | 124.1 | 161.2 | -77.1 | -176.9 | 171.7 | -168.6 | -3.9 | 106.6 | N163 I167 | N163-R165 PolarHBondContact O-N 2.88Å; R165-I167 HydrophobicContact CB-CD1 4.24Å; R165-I167 HydrophobicContact CB-CG1 3.61Å; R165-I167 PolarHBondContact O-N 2.94Å | ||
| 166 | D | 29.2 | Very low | 28.2 | Very low | 149 Ų | 149 | 111.5 Ų | 111.5 | 80% | 0.797 | 61% | 0.607 | S | S | * | * | trans | -68.8 | 79 | 158.7 | -72.4 | -34.5 | 0 | 0 | 0 | 108 | S168 | D166-S168 PolarHBondContact O-N 2.97Å; D166-S168 VanDerWaalsContact O-N 3.12Å | ||
| 167 | I | 28.5 | Very low | 27.9 | Very low | 79 Ų | 79 | 108.7 Ų | 108.7 | 41% | 0.405 | 61% | 0.605 | S | S | . | * | trans | -76.4 | 96.1 | 168.2 | -54 | -174.1 | 0 | 0 | 0 | 106 | R165 K222 | R165-I167 HydrophobicContact CB-CD1 4.24Å; R165-I167 HydrophobicContact CB-CG1 3.61Å; R165-I167 PolarHBondContact O-N 2.94Å; I167-K222 HydrophobicContact CD1-CG 4.25Å; I167-K222 WeakPolarHBondContact CD1-O 3.39Å; I167-K222 WeakPolarHBondContact CG1-O 3.05Å | ||
| 168 | S | 29.9 | Very low | 27.6 | Very low | 79 Ų | 79 | 109.3 Ų | 109.3 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | trans | -48.5 | 129.8 | 161.1 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | D166 D170 | D166-S168 PolarHBondContact O-N 2.97Å; D166-S168 VanDerWaalsContact O-N 3.12Å; S168-D170 PolarHBondContact O-N 3.4Å; S168-D170 VanDerWaalsContact O-N 3.08Å | ||
| 169 | P | 30.8 | Very low | 27.2 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 68% | 0.675 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -57.9 | -27.8 | -176.2 | -16 | 22.4 | 0 | 0 | 0 | 112.8 | ||
| 170 | D | 30.6 | Very low | 26.9 | Very low | 129 Ų | 129 | 114.6 Ų | 114.6 | 69% | 0.69 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -99.8 | 85.9 | -176.9 | -62.4 | -46.1 | 0 | 0 | 0 | 111.9 | S168 | S168-D170 PolarHBondContact O-N 3.4Å; S168-D170 VanDerWaalsContact O-N 3.08Å |
| 171 | N | 31 | Very low | 26.6 | Very low | 157 Ų | 157 | 114.7 Ų | 114.7 | 84% | 0.84 | 65% | 0.654 | S | S | * | * | -179.9 | 115.6 | 128.9 | -96.3 | -56.2 | 0 | 0 | 0 | 112 | G173 | N171-G173 PolarHBondContact O-N 2.65Š| |||
| 172 | G | 26.7 | Very low | 26.2 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 98% | 0.979 | 68% | 0.684 | S | S | * | * | trans | -69.5 | 91.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 173 | G | 25.7 | Very low | 26 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | trans | -143.9 | 118.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N171 N175 | N171-G173 PolarHBondContact O-N 2.65Å; G173-N175 PolarHBondContact O-N 2.72Å | ||
| 174 | R | 23.8 | Very low | 25.9 | Very low | 245 Ų | 245 | 126.9 Ų | 126.9 | 93% | 0.925 | 70% | 0.701 | S | S | * | * | trans | -57.8 | 128.9 | 173.8 | -64 | 168.4 | 175 | 167.4 | -2.3 | 109.9 | ||||
| 175 | N | 25.3 | Very low | 25.6 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | trans | -152.7 | 111.6 | 146.7 | -97.4 | -32.6 | 0 | 0 | 0 | 112.5 | G173 A177 | G173-N175 PolarHBondContact O-N 2.72Å; N175-A177 PolarHBondContact O-N 2.97Å | ||
| 176 | K | 23.3 | Very low | 25.4 | Very low | 215 Ų | 215 | 131.5 Ų | 131.5 | 94% | 0.935 | 73% | 0.733 | S | S | * | * | trans | -76.4 | 91.6 | 167.5 | -72 | 179.2 | 175.8 | -179.7 | 0 | 108.3 | A178 | K176-A178 PolarHBondContact O-N 3.18Š| ||
| 177 | A | 24.3 | Very low | 25.1 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 54% | 0.537 | 73% | 0.732 | S | S | . | * | trans | -83.9 | 97.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | N175 V179 | N175-A177 PolarHBondContact O-N 2.97Å; A177-V179 PolarHBondContact O-N 3.31Å | ||
| 178 | A | 21.5 | Very low | 24.8 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -72.5 | 112.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | K176 N180 | K176-A178 PolarHBondContact O-N 3.18Å; A178-N180 PolarHBondContact O-N 2.95Å | ||
| 179 | V | 24.4 | Very low | 24.5 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -89.4 | 103.6 | 177 | -178.4 | 0 | 0 | 0 | 0 | 108 | A177 | A177-V179 PolarHBondContact O-N 3.31Š| ||
| 180 | N | 22.2 | Very low | 24.1 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -65.7 | 139.8 | 174.7 | -75.9 | -22.4 | 0 | 0 | 0 | 110.8 | A178 | A178-N180 PolarHBondContact O-N 2.95Š| ||
| 181 | S | 21.1 | Very low | 23.9 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -35.1 | 123.9 | 172.5 | 50.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 182 | Y | 21.4 | Very low | 23.6 | Very low | 206 Ų | 206 | 135.8 Ų | 135.8 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | -142.3 | 153.2 | 154.2 | -84.8 | -73.2 | 0 | 0 | 0 | 111.3 | Y184 | Y182-Y184 PolarHBondContact O-N 2.78Š| ||
| 183 | D | 22.8 | Very low | 23.5 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 117.6 | -153.6 | -65.6 | -75.5 | 0 | 0 | 0 | 116.1 | ||
| 184 | Y | 23.6 | Very low | 23.5 | Very low | 121 Ų | 121 | 143 Ų | 143 | 48% | 0.475 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -90.4 | 156.2 | 150.7 | -80.6 | -111.2 | 0 | 0 | 0 | 109.1 | Y182 K186 R274 | Y182-Y184 PolarHBondContact O-N 2.78Å; Y184-K186 PolarHBondContact O-N 3.05Å; Y184-R274 VanDerWaalsContact OH-CZ 3.25Å; Y184-R274 PolarHBondContact OH-NH1 3.02Å; Y184-R274 PolarHBondContact OH-NH2 2.87Å |
| 185 | P | 23.8 | Very low | 23.6 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 119.9 | 160.9 | 25.2 | -33.2 | 0 | 0 | 0 | 108.2 | F187 | P185-F187 VanDerWaalsContact C-N 3.28Å; P185-F187 PolarHBondContact O-N 2.84Å |
| 186 | K | 22.7 | Very low | 23.6 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | -65.2 | 84.9 | -176.8 | -71 | 176.7 | 179.5 | 171.4 | 0 | 110.5 | Y184 S188 | Y184-K186 PolarHBondContact O-N 3.05Å; K186-S188 PolarHBondContact O-N 2.79Å; K186-S188 VanDerWaalsContact O-N 3.09Å | ||
| 187 | F | 23.8 | Very low | 23.7 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 77% | 0.772 | 74% | 0.736 | S | S | * | * | trans | -58.5 | 110.5 | 147.2 | -69.2 | -75.4 | 0 | 0 | 0 | 105.6 | P185 P189 | P185-F187 VanDerWaalsContact C-N 3.28Å; P185-F187 PolarHBondContact O-N 2.84Å; F187-P189 WeakPolarHBondContact O-CD 3.47Å | ||
| 188 | S | 21.4 | Very low | 23.8 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | -55.4 | 122.8 | -175.7 | 39.7 | 0 | 0 | 0 | 0 | 108.8 | K186 L190 | K186-S188 PolarHBondContact O-N 2.79Å; K186-S188 VanDerWaalsContact O-N 3.09Å; S188-L190 VanDerWaalsContact C-N 3.28Å; S188-L190 PolarHBondContact O-N 3.18Å | ||
| 189 | P | 24.6 | Very low | 24.1 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | -68.4 | 94.5 | 175.7 | 27.5 | -32.6 | 0 | 0 | 0 | 107.7 | F187 | F187-P189 WeakPolarHBondContact O-CD 3.47Š| ||
| 190 | L | 22.9 | Very low | 24.2 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -54.7 | 133.4 | 161.6 | -77.2 | 169.4 | 0 | 0 | 0 | 106.8 | S188 L192 | S188-L190 VanDerWaalsContact C-N 3.28Å; S188-L190 PolarHBondContact O-N 3.18Å; L190-L192 PolarHBondContact O-N 3.09Å | ||
| 191 | P | 25 | Very low | 24.3 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -58.6 | 119.1 | -171.7 | 21.7 | -32.7 | 0 | 0 | 0 | 109.9 | K193 | P191-K193 PolarHBondContact O-N 2.77Š| ||
| 192 | L | 26 | Very low | 24.6 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | trans | -57.2 | 106.5 | 179.2 | -68.1 | 169.2 | 0 | 0 | 0 | 108.9 | L190 Y218 | L190-L192 PolarHBondContact O-N 3.09Å; L192-Y218 HydrophobicContact CD1-CE2 4.44Å; L192-Y218 HydrophobicContact CD2-CE2 3.96Å | ||
| 193 | K | 24.4 | Very low | 24.8 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 128.7 | 167.5 | -75.5 | -176.3 | 177.5 | 177.5 | 0 | 107.5 | P191 R195 | P191-K193 PolarHBondContact O-N 2.77Å; K193-R195 PolarHBondContact O-N 3.34Å |
| 194 | P | 24.7 | Very low | 24.9 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 135 | 174.1 | 25.1 | -33 | 0 | 0 | 0 | 109.1 | ||
| 195 | R | 26.5 | Very low | 25 | Very low | 237 Ų | 237 | 138.8 Ų | 138.8 | 89% | 0.894 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 121.3 | 174.8 | -179.6 | 176.6 | -179.8 | 160.6 | 0.1 | 108.4 | K193 S197 | K193-R195 PolarHBondContact O-N 3.34Å; R195-S197 PolarHBondContact O-N 2.95Å; R195-S197 VanDerWaalsContact O-N 3.12Å |
| 196 | P | 24.3 | Very low | 25 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 119.9 | 179.2 | 23.4 | -31.7 | 0 | 0 | 0 | 109 | N198 A199 | P196-N198 PolarHBondContact O-N 3.07Å; P196-N198 VanDerWaalsContact O-N 3.16Å; P196-A199 HydrophobicContact CG-CB 4.32Å |
| 197 | S | 25.5 | Very low | 25.1 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -13.2 | -173.8 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | R195 | R195-S197 PolarHBondContact O-N 2.95Å; R195-S197 VanDerWaalsContact O-N 3.12Å |
| 198 | N | 27.5 | Very low | 25.1 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | 37.6 | -168.1 | -57.1 | 18.3 | 0 | 0 | 0 | 111.4 | P196 E200 | P196-N198 PolarHBondContact O-N 3.07Å; P196-N198 VanDerWaalsContact O-N 3.16Å; N198-E200 PolarHBondContact O-N 3.33Å |
| 199 | A | 27.2 | Very low | 25.3 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 59% | 0.587 | 77% | 0.766 | S | S | * | * | trans | -79.8 | 15.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | P196 | P196-A199 HydrophobicContact CG-CB 4.32Š| ||
| 200 | E | 26 | Very low | 25.2 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 133.1 | 158.7 | -64.2 | -179.7 | 168.8 | 0 | 0 | 108 | N198 | N198-E200 PolarHBondContact O-N 3.33Š|
| 201 | T | 25.9 | Very low | 25.2 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.8 | 53.6 | 178.9 | 69.2 | 0 | 0 | 0 | 0 | 118.8 | ||
| 202 | L | 27 | Very low | 25.1 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -121.9 | 112.8 | 151.5 | -82.8 | 167.3 | 0 | 0 | 0 | 111.7 | ||||
| 203 | T | 25.5 | Very low | 25 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | -77.2 | 139.9 | -176.9 | 44.7 | 0 | 0 | 0 | 0 | 112.1 | K205 | T203-K205 PolarHBondContact O-N 3.16Š| ||
| 204 | A | 24.1 | Very low | 25 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | -63.2 | 106.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 205 | K | 25.7 | Very low | 25.1 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -134.9 | 128.2 | 162.3 | -82.6 | -173.3 | 176 | 178.2 | 0 | 110.5 | T203 | T203-K205 PolarHBondContact O-N 3.16Š| ||
| 206 | Q | 24.7 | Very low | 24.9 | Very low | 178 Ų | 178 | 128 Ų | 128 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | 67.4 | 70.6 | 156.3 | -61.5 | 172.3 | -33.3 | 0 | 0 | 118 | A208 | Q206-A208 VanDerWaalsContact C-N 3.34Š| ||
| 207 | C | 24.6 | Very low | 24.9 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -100 | 48.8 | 146.2 | -71.1 | 0 | 0 | 0 | 0 | 111 | N209 | C207-N209 PolarHBondContact O-N 3.08Š| ||
| 208 | A | 23 | Very low | 24.7 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | -88.2 | 87.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q206 | Q206-A208 VanDerWaalsContact C-N 3.34Š| ||
| 209 | N | 26 | Very low | 24.4 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 168.7 | 73.1 | 158.6 | -88.1 | -18.6 | 0 | 0 | 0 | 111.3 | C207 S211 | C207-N209 PolarHBondContact O-N 3.08Å; N209-S211 WeakPolarHBondContact O-CB 3.35Å; N209-S211 PolarHBondContact O-N 2.63Å; N209-S211 PolarHBondContact O-OG 3.06Å |
| 210 | G | 23.7 | Very low | 24.2 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 97% | 0.969 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 49.9 | 16.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||
| 211 | S | 22.4 | Very low | 24.2 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -138.3 | 56.2 | -166.4 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | N209 | N209-S211 WeakPolarHBondContact O-CB 3.35Å; N209-S211 PolarHBondContact O-N 2.63Å; N209-S211 PolarHBondContact O-OG 3.06Å | ||
| 212 | C | 22 | Very low | 24.1 | Very low | 88 Ų | 88 | 123.3 Ų | 123.3 | 60% | 0.595 | 70% | 0.704 | S | S | * | * | trans | -123.1 | 70.4 | -179.9 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 213 | F | 25.4 | Very low | 24 | Very low | 216 Ų | 216 | 116.1 Ų | 116.1 | 95% | 0.947 | 67% | 0.668 | S | S | * | * | trans | -102.3 | 82.5 | 153.3 | -86.3 | -84.1 | 0 | 0 | 0 | 108 | ||||
| 214 | E | 24.3 | Very low | 24.2 | Very low | 154 Ų | 154 | 114.2 Ų | 114.2 | 72% | 0.72 | 66% | 0.656 | S | S | * | * | trans | -82 | 120.9 | 166.6 | -75.3 | -158.1 | 143.5 | 0 | 0 | 110 | H216 | E214-H216 PolarHBondContact O-N 3.32Å; E214-H216 IonicContact OE2-CD2 4Å; E214-H216 IonicContact OE2-CE1 3.01Å; E214-H216 IonicContact OE2-NE2 3.08Å; E214-H216 PolarHBondContact OE2-NE2 2.93Å | ||
| 215 | S | 25.4 | Very low | 24.4 | Very low | 108 Ų | 108 | 114 Ų | 114 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | trans | -86.7 | 83.9 | 178.1 | 59.8 | 0 | 0 | 0 | 0 | 111.3 | L217 | S215-L217 PolarHBondContact O-N 2.81Š| ||
| 216 | H | 23.9 | Very low | 24.6 | Very low | 118 Ų | 118 | 110 Ų | 110 | 55% | 0.546 | 63% | 0.633 | S | S | . | * | trans | -86.6 | 84.9 | 169.1 | -64.6 | -64.7 | 0 | 0 | 0 | 110.1 | E214 | E214-H216 PolarHBondContact O-N 3.32Å; E214-H216 IonicContact OE2-CD2 4Å; E214-H216 IonicContact OE2-CE1 3.01Å; E214-H216 IonicContact OE2-NE2 3.08Å; E214-H216 PolarHBondContact OE2-NE2 2.93Å | ||
| 217 | L | 22.9 | Very low | 24.9 | Very low | 83 Ų | 83 | 106.4 Ų | 106.4 | 44% | 0.435 | 62% | 0.619 | S | S | . | * | trans | -83.2 | 167.7 | 154.1 | -93.1 | 86.4 | 0 | 0 | 0 | 109.5 | F160 S215 | F160-L217 HydrophobicContact CB-CD1 4.05Å; F160-L217 HydrophobicContact CB-CD2 4.27Å; F160-L217 HydrophobicContact CB-CG 4.05Å; F160-L217 HydrophobicContact CD2-CD1 4.05Å; F160-L217 HydrophobicContact CG-CD1 4.47Å; S215-L217 PolarHBondContact O-N 2.81Å | ||
| 218 | Y | 21.2 | Very low | 25.1 | Very low | 193 Ų | 193 | 107.5 Ų | 107.5 | 76% | 0.757 | 62% | 0.617 | S | S | * | * | trans | 86 | 79.7 | 174.5 | -48.4 | -71.4 | 0 | 0 | 0 | 117.4 | L192 | L192-Y218 HydrophobicContact CD1-CE2 4.44Å; L192-Y218 HydrophobicContact CD2-CE2 3.96Å | ||
| 219 | S | 22.2 | Very low | 25.4 | Very low | 73 Ų | 73 | 109.1 Ų | 109.1 | 51% | 0.51 | 61% | 0.613 | S | S | . | * | -140.1 | 135.5 | 129.4 | 68.8 | 0 | 0 | 0 | 0 | 109.8 | Y161 I221 | Y161-S219 WeakPolarHBondContact CD1-O 3.33Å; Y161-S219 WeakPolarHBondContact CE1-O 3.49Å; S219-I221 PolarHBondContact O-N 3.46Å | |||
| 220 | A | 22.7 | Very low | 25.3 | Very low | 96 Ų | 96 | 112 Ų | 112 | 79% | 0.793 | 62% | 0.619 | S | S | * | * | trans | -85.5 | 111.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | K222 | A220-K222 PolarHBondContact O-N 3.39Š| ||
| 221 | I | 25.7 | Very low | 25.4 | Very low | 43 Ų | 43 | 109.4 Ų | 109.4 | 22% | 0.221 | 59% | 0.593 | C | S | . | * | trans | -72.2 | 114.3 | 164.7 | -55.9 | 177 | 0 | 0 | 0 | 106.3 | Y161 S219 S223 V269 | Y161-I221 HydrophobicContact CD1-CD1 4.16Å; Y161-I221 HydrophobicContact CD1-CG1 4.17Å; Y161-I221 HydrophobicContact CE1-CD1 4.16Å; Y161-I221 HydrophobicContact CE1-CG1 4.15Å; S219-I221 PolarHBondContact O-N 3.46Å; I221-S223 WeakPolarHBondContact CG2-O 3.33Å; I221-V269 HydrophobicContact CD1-CG1 4.5Å | ||
| 222 | K | 23.7 | Very low | 25.4 | Very low | 139 Ų | 139 | 111.1 Ų | 111.1 | 60% | 0.604 | 61% | 0.605 | S | S | * | * | trans | -89.7 | -20.6 | -167.3 | -120.7 | 177 | -179.8 | -179.6 | 0 | 112.3 | I167 A220 D226 | I167-K222 HydrophobicContact CD1-CG 4.25Å; I167-K222 WeakPolarHBondContact CD1-O 3.39Å; I167-K222 WeakPolarHBondContact CG1-O 3.05Å; A220-K222 PolarHBondContact O-N 3.39Å; K222-D226 VanDerWaalsContact C-OD2 3.32Å; K222-D226 WeakPolarHBondContact CA-OD2 3.37Å; K222-D226 WeakPolarHBondContact CB-OD2 3.4Å; K222-D226 PolarHBondContact N-OD2 3.42Å | ||
| 223 | S | 25.4 | Very low | 25.4 | Very low | 17 Ų | 17 | 109.9 Ų | 109.9 | 12% | 0.119 | 60% | 0.597 | C | S | . | * | trans | -161.3 | 157.9 | 174.2 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | I221 T225 D226 | I221-S223 WeakPolarHBondContact CG2-O 3.33Å; S223-T225 VanDerWaalsContact CB-OG1 3.27Å; S223-T225 WeakPolarHBondContact CB-OG1 3.49Å; S223-T225 PolarHBondContact O-N 2.85Å; S223-T225 PolarHBondContact OG-N 3.11Å; S223-T225 PolarHBondContact OG-OG1 3.03Å; S223-D226 PolarHBondContact N-OD2 3.33Å; S223-D226 WeakPolarHBondContact O-CB 3.4Å; S223-D226 PolarHBondContact O-N 2.88Å | ||
| 224 | V | 29.3 | Very low | 25.3 | Very low | 89 Ų | 89 | 105.4 Ų | 105.4 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -59.5 | -25.5 | 165.3 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | D226 L227 | V224-D226 VanDerWaalsContact C-N 3.27Å; V224-D226 PolarHBondContact O-N 3.28Å; V224-L227 WeakPolarHBondContact O-CB 3.43Å; V224-L227 PolarHBondContact O-N 3.33Å |
| 225 | T | 29.1 | Very low | 25.3 | Very low | 82 Ų | 82 | 101.9 Ų | 101.9 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -72.3 | -13.2 | 173 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | S223 L227 D228 | S223-T225 VanDerWaalsContact CB-OG1 3.27Å; S223-T225 WeakPolarHBondContact CB-OG1 3.49Å; S223-T225 PolarHBondContact O-N 2.85Å; S223-T225 PolarHBondContact OG-N 3.11Å; S223-T225 PolarHBondContact OG-OG1 3.03Å; T225-L227 PolarHBondContact O-N 3.42Å; T225-D228 VanDerWaalsContact O-CB 3.29Å; T225-D228 WeakPolarHBondContact O-CB 3.49Å; T225-D228 PolarHBondContact O-N 3.44Å |
| 226 | D | 30.2 | Very low | 25.3 | Very low | 94 Ų | 94 | 99.4 Ų | 99.4 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -77.3 | -7.2 | 173.2 | -64.1 | -32 | 0 | 0 | 0 | 112.5 | K222 S223 V224 D228 | K222-D226 VanDerWaalsContact C-OD2 3.32Å; K222-D226 WeakPolarHBondContact CA-OD2 3.37Å; K222-D226 WeakPolarHBondContact CB-OD2 3.4Å; K222-D226 PolarHBondContact N-OD2 3.42Å; S223-D226 PolarHBondContact N-OD2 3.33Å; S223-D226 WeakPolarHBondContact O-CB 3.4Å; S223-D226 PolarHBondContact O-N 2.88Å; V224-D226 VanDerWaalsContact C-N 3.27Å; V224-D226 PolarHBondContact O-N 3.28Å; D226-D228 PolarHBondContact O-N 3.49Å; D226-D228 VanDerWaalsContact O-N 3.08Å |
| 227 | L | 29.4 | Very low | 25.5 | Very low | 103 Ų | 103 | 98.2 Ų | 98.2 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -76.1 | 28.3 | 164.1 | -71.6 | 158.3 | 0 | 0 | 0 | 111.6 | V224 T225 I229 | V224-L227 WeakPolarHBondContact O-CB 3.43Å; V224-L227 PolarHBondContact O-N 3.33Å; T225-L227 PolarHBondContact O-N 3.42Å; L227-I229 PolarHBondContact O-N 2.87Å |
| 228 | D | 29.3 | Very low | 25.9 | Very low | 137 Ų | 137 | 96.1 Ų | 96.1 | 73% | 0.733 | 54% | 0.542 | S | S | * | . | trans | -70.8 | 63 | -179.4 | -127.4 | -0.3 | 0 | 0 | 0 | 111.9 | T225 D226 K230 | T225-D228 VanDerWaalsContact O-CB 3.29Å; T225-D228 WeakPolarHBondContact O-CB 3.49Å; T225-D228 PolarHBondContact O-N 3.44Å; D226-D228 PolarHBondContact O-N 3.49Å; D226-D228 VanDerWaalsContact O-N 3.08Å; D228-K230 VanDerWaalsContact C-N 3.26Å; D228-K230 PolarHBondContact O-N 3.2Å | ||
| 229 | I | 29.2 | Very low | 26.3 | Very low | 116 Ų | 116 | 94.4 Ų | 94.4 | 60% | 0.595 | 53% | 0.534 | S | S | * | . | trans | -66.1 | 95.2 | 158.9 | -56.4 | 174.9 | 0 | 0 | 0 | 105.6 | L227 G231 F235 | L227-I229 PolarHBondContact O-N 2.87Å; I229-G231 PolarHBondContact O-N 3.35Å; I229-F235 HydrophobicContact CB-CE2 4.48Å | ||
| 230 | K | 24.8 | Very low | 26.7 | Very low | 204 Ų | 204 | 91.2 Ų | 91.2 | 89% | 0.887 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -30.8 | 110.2 | 179.6 | -70.9 | 179.1 | 174.8 | 179.1 | 0 | 113 | D228 | D228-K230 VanDerWaalsContact C-N 3.26Å; D228-K230 PolarHBondContact O-N 3.2Å |
| 231 | G | 25.7 | Very low | 27.1 | Very low | 41 Ų | 41 | 94.1 Ų | 94.1 | 42% | 0.423 | 50% | 0.502 | S | S | . | . | S | Bend | trans | 121.8 | 84.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I229 S233 | I229-G231 PolarHBondContact O-N 3.35Å; G231-S233 WeakPolarHBondContact O-CB 3.35Å; G231-S233 PolarHBondContact O-N 2.69Å; G231-S233 PolarHBondContact O-OG 2.74Å |
| 232 | S | 22 | Very low | 27.5 | Very low | 139 Ų | 139 | 92.8 Ų | 92.8 | 97% | 0.972 | 50% | 0.495 | S | S | * | . | trans | 33.1 | 37.8 | 138.5 | 67.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 233 | S | 22.3 | Very low | 27.8 | Very low | 63 Ų | 63 | 88.3 Ų | 88.3 | 44% | 0.441 | 48% | 0.481 | S | S | . | . | trans | -123.6 | 111.8 | 178.8 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | G231 F235 | G231-S233 WeakPolarHBondContact O-CB 3.35Å; G231-S233 PolarHBondContact O-N 2.69Å; G231-S233 PolarHBondContact O-OG 2.74Å; S233-F235 VanDerWaalsContact O-CD2 3.25Å; S233-F235 WeakPolarHBondContact O-CD2 3.44Å; S233-F235 WeakPolarHBondContact O-CE2 3.32Å; S233-F235 PolarHBondContact O-N 3.15Å; S233-F235 VanDerWaalsContact OG-CZ 3.26Å; S233-F235 WeakPolarHBondContact OG-CZ 3.38Å | ||
| 234 | S | 23.4 | Very low | 28.1 | Very low | 122 Ų | 122 | 94.9 Ų | 94.9 | 85% | 0.853 | 50% | 0.504 | S | S | * | . | trans | -68.5 | 98.6 | 173.3 | 40.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 235 | F | 23.8 | Very low | 28 | Very low | 79 Ų | 79 | 92.3 Ų | 92.3 | 35% | 0.346 | 49% | 0.49 | S | S | . | . | trans | -72 | 126.9 | 175.7 | -61.6 | -74.3 | 0 | 0 | 0 | 110.3 | Y111 I229 S233 L237 | Y111-F235 HydrophobicContact CE2-CB 4.24Å; Y111-F235 AromaticContact CE2-CD1 3.64Å; Y111-F235 HydrophobicContact CE2-CD1 3.64Å; Y111-F235 HydrophobicContact CE2-CE1 4.27Å; Y111-F235 HydrophobicContact CE2-CG 4.1Å; I229-F235 HydrophobicContact CB-CE2 4.48Å; S233-F235 VanDerWaalsContact O-CD2 3.25Å; S233-F235 WeakPolarHBondContact O-CD2 3.44Å; S233-F235 WeakPolarHBondContact O-CE2 3.32Å; S233-F235 PolarHBondContact O-N 3.15Å; S233-F235 VanDerWaalsContact OG-CZ 3.26Å; S233-F235 WeakPolarHBondContact OG-CZ 3.38Å; F235-L237 PolarHBondContact O-N 3.01Å; F235-L237 VanDerWaalsContact O-N 3.14Å | ||
| 236 | P | 25.7 | Very low | 27.9 | Very low | 57 Ų | 57 | 96.2 Ų | 96.2 | 37% | 0.37 | 50% | 0.502 | S | S | . | . | trans | -70.8 | 110.2 | 174.7 | 27.9 | -32 | 0 | 0 | 0 | 110.1 | V112 | V112-P236 HydrophobicContact CB-CG 4.26Å; V112-P236 PolarHBondContact N-O 3.08Å; V112-P236 WeakPolarHBondContact O-CG 3.47Å | ||
| 237 | L | 27.6 | Very low | 27.6 | Very low | 92 Ų | 92 | 95.3 Ų | 95.3 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.3 | 171.4 | -66.8 | 170.8 | 0 | 0 | 0 | 109.6 | Y109 F235 R239 | Y109-L237 HydrophobicContact CD1-CB 4.07Å; F235-L237 PolarHBondContact O-N 3.01Å; F235-L237 VanDerWaalsContact O-N 3.14Å; L237-R239 PolarHBondContact O-N 2.98Å |
| 238 | H | 30.7 | Very low | 27.4 | Very low | 40 Ų | 40 | 93.1 Ų | 93.1 | 19% | 0.185 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 111.9 | 175.6 | -171.8 | -67.2 | 0 | 0 | 0 | 110.6 | Y109 A110 V112 S240 | Y109-H238 WeakPolarHBondContact CA-O 3.43Å; A110-H238 PolarHBondContact N-O 3.44Å; A110-H238 WeakPolarHBondContact O-CB 2.94Å; A110-H238 PolarHBondContact O-N 3.45Å; V112-H238 HydrophobicContact CG2-CB 3.75Å; H238-S240 PolarHBondContact O-N 3.29Å |
| 239 | R | 30.2 | Very low | 27.1 | Very low | 157 Ų | 157 | 95.4 Ų | 95.4 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 114.8 | 173.2 | -172.6 | -175.1 | -174.6 | -166 | 3.5 | 109.4 | E107 I108 Y109 L237 | E107-R239 IonicContact OE1-CZ 3.62Å; E107-R239 IonicContact OE1-NE 3.73Å; E107-R239 IonicContact OE1-NH2 2.91Å; E107-R239 PolarHBondContact OE1-NH2 3.23Å; E107-R239 IonicContact OE2-CZ 3.2Å; E107-R239 IonicContact OE2-NE 2.7Å; E107-R239 PolarHBondContact OE2-NE 2.89Å; E107-R239 IonicContact OE2-NH2 3.75Å; E107-R239 PolarHBondContact OE2-NH2 3.1Å; I108-R239 CarbonylContact O-C 3.54Å; I108-R239 VanDerWaalsContact O-CA 3.31Å; I108-R239 WeakPolarHBondContact O-CA 3.13Å; Y109-R239 HydrophobicContact CD1-CB 4.48Å; Y109-R239 HydrophobicContact CE1-CB 4.25Å; Y109-R239 HydrophobicContact CE1-CG 4.33Å; L237-R239 PolarHBondContact O-N 2.98Å |
| 240 | S | 30.1 | Very low | 26.8 | Very low | 6 Ų | 6 | 94.4 Ų | 94.4 | 4% | 0.042 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.5 | 174.9 | 56 | 0 | 0 | 0 | 0 | 111.2 | I108 H238 V257 | I108-S240 VanDerWaalsContact CB-OG 3.32Å; I108-S240 WeakPolarHBondContact CB-OG 3.32Å; I108-S240 VanDerWaalsContact CG2-OG 3.26Å; I108-S240 WeakPolarHBondContact CG2-OG 3.34Å; I108-S240 PolarHBondContact N-O 2.95Å; I108-S240 PolarHBondContact O-N 2.87Å; H238-S240 PolarHBondContact O-N 3.29Å; S240-V257 WeakPolarHBondContact CB-O 3.5Å |
| 241 | R | 32.1 | Very low | 27 | Very low | 156 Ų | 156 | 90.2 Ų | 90.2 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.3 | -175.8 | -167.4 | 179.7 | -169.4 | 162.2 | 9.1 | 110.4 | N105 | N105-R241 PolarHBondContact OD1-NH2 3.4Å |
| 242 | L | 32.7 | Very low | 27.1 | Very low | 15 Ų | 15 | 92.7 Ų | 92.7 | 8% | 0.079 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.9 | 171.3 | -85.9 | 168.5 | 0 | 0 | 0 | 110.8 | S106 I108 L254 Y270 | S106-L242 WeakPolarHBondContact O-CB 3.36Å; S106-L242 PolarHBondContact O-N 2.84Å; S106-L242 VanDerWaalsContact OG-CB 3.31Å; S106-L242 WeakPolarHBondContact OG-CB 3.25Å; I108-L242 HydrophobicContact CD1-CD1 4.04Å; I108-L242 HydrophobicContact CD1-CD2 3.46Å; I108-L242 VanDerWaalsContact CD1-CD2 3.46Å; I108-L242 HydrophobicContact CD1-CG 3.47Å; I108-L242 VanDerWaalsContact CD1-CG 3.47Å; I108-L242 HydrophobicContact CG1-CD1 3.86Å; I108-L242 HydrophobicContact CG1-CD2 4.24Å; I108-L242 HydrophobicContact CG1-CG 3.75Å; L242-L254 HydrophobicContact CD2-CB 4.06Å; L242-L254 HydrophobicContact CD2-CD2 3.63Å; L242-L254 HydrophobicContact CD2-CG 4.38Å; L242-Y270 HydrophobicContact CD1-CD1 4.34Å |
| 243 | S | 30.9 | Very low | 27.5 | Very low | 45 Ų | 45 | 88.6 Ų | 88.6 | 32% | 0.315 | 48% | 0.475 | S | S | . | . | trans | -92.8 | 107.4 | 164 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | S245 | S243-S245 PolarHBondContact O-N 3.27Š| ||
| 244 | R | 31.5 | Very low | 28.1 | Very low | 156 Ų | 156 | 87.9 Ų | 87.9 | 59% | 0.589 | 47% | 0.466 | S | S | * | . | trans | -79.3 | 108.5 | 165.9 | -65.8 | -176.7 | 175.2 | -168 | -3.6 | 109.8 | S102 S104 | S102-R244 WeakPolarHBondContact CB-O 3.47Å; S102-R244 PolarHBondContact OG-O 3.49Å; S104-R244 WeakPolarHBondContact OG-CB 3.31Å; S104-R244 PolarHBondContact OG-N 2.87Å | ||
| 245 | S | 27 | Very low | 28.6 | Very low | 35 Ų | 35 | 84.1 Ų | 84.1 | 25% | 0.245 | 43% | 0.433 | C | S | . | . | trans | -59.1 | 138.2 | 153.7 | 153.6 | 0 | 0 | 0 | 0 | 108.3 | S243 E252 | S243-S245 PolarHBondContact O-N 3.27Å; S245-E252 WeakPolarHBondContact CB-OE2 3.44Å; S245-E252 PolarHBondContact OG-OE2 3.29Å | ||
| 246 | H | 27.3 | Very low | 29.1 | Very low | 163 Ų | 163 | 80.5 Ų | 80.5 | 76% | 0.755 | 42% | 0.418 | S | S | * | . | trans | -116.2 | 58.1 | -171.1 | -159.9 | -61.5 | 0 | 0 | 0 | 111.2 | ||||
| 247 | I | 24.8 | Very low | 29.4 | Very low | 76 Ų | 76 | 79.2 Ų | 79.2 | 39% | 0.39 | 41% | 0.409 | S | S | . | . | trans | -127 | 104.8 | -178.5 | -53 | -178 | 0 | 0 | 0 | 111.1 | ||||
| 248 | G | 24.2 | Very low | 29.7 | Very low | 57 Ų | 57 | 75.6 Ų | 75.6 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 37 | 112.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | C250 | G248-C250 PolarHBondContact O-N 3.42Š|
| 249 | I | 23.7 | Very low | 29.7 | Very low | 185 Ų | 185 | 79.4 Ų | 79.4 | 95% | 0.949 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 72.8 | -26.5 | 143.7 | -52.5 | 174 | 0 | 0 | 0 | 117 | ||
| 250 | C | 22.3 | Very low | 29.6 | Very low | 95 Ų | 95 | 74.7 Ų | 74.7 | 64% | 0.642 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -99 | 143.8 | 176.8 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | G248 E252 | G248-C250 PolarHBondContact O-N 3.42Å; C250-E252 PolarHBondContact O-N 2.75Å |
| 251 | P | 28 | Very low | 29.5 | Very low | 116 Ų | 116 | 83.6 Ų | 83.6 | 75% | 0.753 | 43% | 0.433 | S | S | * | . | trans | -73.3 | 95.7 | 169.9 | 30.1 | -32.5 | 0 | 0 | 0 | 110 | ||||
| 252 | E | 29.4 | Very low | 29.4 | Very low | 93 Ų | 93 | 78.8 Ų | 78.8 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 145.6 | 176.2 | -68 | -172.3 | 155.4 | 0 | 0 | 111.9 | S245 C250 | S245-E252 WeakPolarHBondContact CB-OE2 3.44Å; S245-E252 PolarHBondContact OG-OE2 3.29Å; C250-E252 PolarHBondContact O-N 2.75Å |
| 253 | P | 29.3 | Very low | 29.1 | Very low | 52 Ų | 52 | 82.5 Ų | 82.5 | 34% | 0.338 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 142.2 | -178.9 | 27.4 | -34.9 | 0 | 0 | 0 | 112.1 | Q154 Y255 | Q154-P253 HydrophobicContact CG-CB 4.15Å; P253-Y255 HydrophobicContact CG-CE2 3.84Å; P253-Y255 WeakPolarHBondContact CG-OH 3.17Å; P253-Y255 VanDerWaalsContact O-CD2 3.3Å; P253-Y255 WeakPolarHBondContact O-CD2 3.22Å; P253-Y255 WeakPolarHBondContact O-CE2 3.4Å |
| 254 | L | 34.8 | Very low | 29.1 | Very low | 49 Ų | 49 | 82.4 Ų | 82.4 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 124.7 | 174.7 | -65.7 | 164 | 0 | 0 | 0 | 109.4 | M155 F160 L242 Y270 | M155-L254 HydrophobicContact CE-CB 4.34Å; M155-L254 PolarHBondContact N-O 2.88Å; F160-L254 HydrophobicContact CE1-CD1 3.86Å; F160-L254 HydrophobicContact CZ-CD1 4.4Å; L242-L254 HydrophobicContact CD2-CB 4.06Å; L242-L254 HydrophobicContact CD2-CD2 3.63Å; L242-L254 HydrophobicContact CD2-CG 4.38Å; L254-Y270 HydrophobicContact CB-CE1 4.21Å; L254-Y270 HydrophobicContact CD1-CD1 4.36Å; L254-Y270 HydrophobicContact CD1-CE1 3.57Å; L254-Y270 HydrophobicContact CD1-CE2 4.48Å; L254-Y270 HydrophobicContact CG-CE1 4.45Å |
| 255 | Y | 33.8 | Very low | 29 | Very low | 42 Ų | 42 | 80.7 Ų | 80.7 | 17% | 0.165 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 137 | 176.4 | -62.1 | -86 | 0 | 0 | 0 | 110.3 | L141 S153 Q154 P253 | L141-Y255 HydrophobicContact CD1-CE1 4.4Å; S153-Y255 WeakPolarHBondContact O-CA 3.21Å; Q154-Y255 HydrophobicContact CB-CD1 4.01Å; Q154-Y255 HydrophobicContact CB-CE1 3.78Å; Q154-Y255 HydrophobicContact CG-CD1 4.38Å; Q154-Y255 HydrophobicContact CG-CE1 3.92Å; P253-Y255 HydrophobicContact CG-CE2 3.84Å; P253-Y255 WeakPolarHBondContact CG-OH 3.17Å; P253-Y255 VanDerWaalsContact O-CD2 3.3Å; P253-Y255 WeakPolarHBondContact O-CD2 3.22Å; P253-Y255 WeakPolarHBondContact O-CE2 3.4Å |
| 256 | S | 34.4 | Very low | 29.1 | Very low | 3 Ų | 3 | 80.3 Ų | 80.3 | 2% | 0.021 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.9 | 165.7 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | S153 | S153-S256 WeakPolarHBondContact CB-OG 3.31Å; S153-S256 PolarHBondContact N-O 2.85Å; S153-S256 PolarHBondContact O-N 3.46Å; S153-S256 PolarHBondContact OG-OG 3.19Å |
| 257 | V | 33 | Very low | 29.2 | Very low | 31 Ų | 31 | 82.3 Ų | 82.3 | 19% | 0.188 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.1 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | E150 L151 Y152 S240 | E150-V257 HydrophobicContact CB-CG1 4.11Å; E150-V257 HydrophobicContact CG-CG1 4.21Å; L151-V257 WeakPolarHBondContact O-CA 3.41Å; Y152-V257 HydrophobicContact CD1-CG2 4.21Å; Y152-V257 HydrophobicContact CE1-CG2 3.89Å; S240-V257 WeakPolarHBondContact CB-O 3.5Å |
| 258 | I | 34.3 | Very low | 29.6 | Very low | 15 Ų | 15 | 79.2 Ų | 79.2 | 8% | 0.077 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.8 | -178.2 | -52.8 | 177.3 | 0 | 0 | 0 | 107.8 | L151 F264 | L151-I258 WeakPolarHBondContact CB-O 3.3Å; L151-I258 PolarHBondContact N-O 3.38Å; L151-I258 PolarHBondContact O-N 2.93Å; I258-F264 HydrophobicContact CD1-CB 4.13Å; I258-F264 HydrophobicContact CD1-CD1 4.28Å; I258-F264 HydrophobicContact CD1-CG 4.12Å |
| 259 | Q | 30.1 | Very low | 29.8 | Very low | 120 Ų | 120 | 78.8 Ų | 78.8 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 136.8 | 177.9 | -170.2 | 173.8 | 2.3 | 0 | 0 | 110.8 | D149 T262 | D149-Q259 CarbonylContact O-C 3.56Å; D149-Q259 WeakPolarHBondContact O-CA 3.39Å; Q259-T262 PolarHBondContact O-N 3.46Å; Q259-T262 PolarHBondContact O-OG1 3.26Å; Q259-T262 VanDerWaalsContact O-OG1 3.12Å |
| 260 | K | 28.4 | Very low | 30.2 | Very low | 59 Ų | 59 | 71.1 Ų | 71.1 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 145 | 171.3 | -81.3 | -172.5 | 178.9 | 162.5 | 0 | 109.8 | S148 D149 L151 T262 | S148-K260 VanDerWaalsContact O-CD 3.31Å; S148-K260 WeakPolarHBondContact O-CD 3.3Å; S148-K260 WeakPolarHBondContact O-CE 3.48Å; S148-K260 PolarHBondContact O-NZ 3.37Å; D149-K260 PolarHBondContact O-N 2.78Å; L151-K260 HydrophobicContact CD1-CG 4Å; L151-K260 HydrophobicContact CD2-CD 4.44Å; L151-K260 HydrophobicContact CD2-CG 3.8Å; L151-K260 HydrophobicContact CG-CB 4.49Å; L151-K260 HydrophobicContact CG-CG 3.57Å; K260-T262 PolarHBondContact O-N 2.81Å |
| 261 | Q | 27.3 | Very low | 30.5 | Very low | 192 Ų | 192 | 67.9 Ų | 67.9 | 90% | 0.897 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 2 | -178.5 | -47.1 | 177.4 | 3.9 | 0 | 0 | 116.4 | P263 | Q261-P263 WeakPolarHBondContact O-CD 3.33Š|
| 262 | T | 29.9 | Very low | 30.6 | Very low | 56 Ų | 56 | 64.3 Ų | 64.3 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | trans | -95.6 | 112.1 | 174.7 | -32 | 0 | 0 | 0 | 0 | 110.3 | Q259 K260 F264 | Q259-T262 PolarHBondContact O-N 3.46Å; Q259-T262 PolarHBondContact O-OG1 3.26Å; Q259-T262 VanDerWaalsContact O-OG1 3.12Å; K260-T262 PolarHBondContact O-N 2.81Å; T262-F264 PolarHBondContact O-N 3.48Å | ||
| 263 | P | 26.7 | Very low | 30.5 | Very low | 92 Ų | 92 | 62.1 Ų | 62.1 | 60% | 0.597 | 33% | 0.33 | S | S | * | . | trans | -69.4 | 115.3 | 179.3 | 27.1 | -33.2 | 0 | 0 | 0 | 110.4 | Q261 | Q261-P263 WeakPolarHBondContact O-CD 3.33Š| ||
| 264 | F | 31.5 | Very low | 30.4 | Very low | 43 Ų | 43 | 67 Ų | 67 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | trans | -94.4 | 114.5 | 176.3 | -180 | -106.8 | 0 | 0 | 0 | 110.9 | A110 Y111 V112 I258 T262 G266 | A110-F264 HydrophobicContact CB-CD2 4.3Å; A110-F264 HydrophobicContact CB-CE2 3.31Å; A110-F264 HydrophobicContact CB-CZ 3.66Å; Y111-F264 WeakPolarHBondContact O-CE2 3.49Å; V112-F264 HydrophobicContact CG2-CD2 4.29Å; I258-F264 HydrophobicContact CD1-CB 4.13Å; I258-F264 HydrophobicContact CD1-CD1 4.28Å; I258-F264 HydrophobicContact CD1-CG 4.12Å; T262-F264 PolarHBondContact O-N 3.48Å; F264-G266 WeakPolarHBondContact CZ-O 3.3Å | ||
| 265 | M | 29.1 | Very low | 30 | Very low | 120 Ų | 120 | 73.2 Ų | 73.2 | 59% | 0.591 | 37% | 0.372 | S | S | * | . | trans | -136.3 | 101 | 170.8 | -62.5 | -162.3 | 84.1 | 0 | 0 | 109.6 | Y111 G113 | Y111-M265 CarbonylContact O-C 3.5Å; G113-M265 PolarHBondContact N-O 2.8Å | ||
| 266 | G | 28.4 | Very low | 29.5 | Very low | 28 Ų | 28 | 79.3 Ų | 79.3 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 173.8 | -179.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y111 F264 | Y111-G266 VanDerWaalsContact O-CA 3.31Å; Y111-G266 WeakPolarHBondContact O-CA 3.46Å; F264-G266 WeakPolarHBondContact CZ-O 3.3Å |
| 267 | R | 30 | Very low | 29 | Very low | 205 Ų | 205 | 83.7 Ų | 83.7 | 77% | 0.774 | 43% | 0.428 | S | S | * | . | trans | -82.6 | 139.1 | 172.1 | -64.8 | -177.4 | -179.3 | 179.4 | 0.3 | 110 | Y111 | Y111-R267 PolarHBondContact N-O 3.45Š| ||
| 268 | T | 32.8 | Very low | 28.6 | Very low | 11 Ų | 11 | 93.3 Ų | 93.3 | 7% | 0.067 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.9 | 171.6 | -52.6 | 0 | 0 | 0 | 0 | 109.5 | I108 A110 M155 | I108-T268 HydrophobicContact CG2-CG2 3.23Å; A110-T268 HydrophobicContact CB-CG2 4.24Å; M155-T268 HydrophobicContact CE-CG2 4.01Å; M155-T268 HydrophobicContact SD-CG2 3.55Å; M155-T268 VanDerWaalsContact SD-CG2 3.55Å |
| 269 | V | 29.6 | Very low | 28.1 | Very low | 48 Ų | 48 | 97.1 Ų | 97.1 | 29% | 0.291 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 109 | Y109 Y161 I221 V271 | Y109-V269 PolarHBondContact N-O 3.48Å; Y109-V269 VanDerWaalsContact N-O 3.15Å; Y109-V269 PolarHBondContact O-N 2.91Å; Y109-V269 VanDerWaalsContact O-O 3.11Å; Y161-V269 HydrophobicContact CD2-CG1 4.11Å; I221-V269 HydrophobicContact CD1-CG1 4.5Å; V269-V271 HydrophobicContact CG1-CG2 4.5Å |
| 270 | Y | 30.9 | Very low | 27.7 | Very low | 23 Ų | 23 | 98.9 Ų | 98.9 | 9% | 0.09 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.5 | 172.9 | -61.7 | -74.2 | 0 | 0 | 0 | 110.3 | I108 M155 H158 E159 F160 L242 L254 | I108-Y270 HydrophobicContact CD1-CD1 4.32Å; I108-Y270 HydrophobicContact CD1-CE1 4.06Å; I108-Y270 HydrophobicContact CG1-CD1 3.85Å; I108-Y270 HydrophobicContact CG1-CE1 4.11Å; M155-Y270 HydrophobicContact CE-CE1 3.69Å; M155-Y270 WeakPolarHBondContact CE-OH 3.49Å; H158-Y270 HydrophobicContact CB-CE2 3.7Å; E159-Y270 WeakPolarHBondContact O-CD2 3.41Å; F160-Y270 HydrophobicContact CD1-CD2 4.13Å; F160-Y270 HydrophobicContact CD1-CE2 4.4Å; F160-Y270 HydrophobicContact CE1-CD2 4.41Å; F160-Y270 HydrophobicContact CE1-CE2 4.25Å; L242-Y270 HydrophobicContact CD1-CD1 4.34Å; L254-Y270 HydrophobicContact CB-CE1 4.21Å; L254-Y270 HydrophobicContact CD1-CD1 4.36Å; L254-Y270 HydrophobicContact CD1-CE1 3.57Å; L254-Y270 HydrophobicContact CD1-CE2 4.48Å; L254-Y270 HydrophobicContact CG-CE1 4.45Å |
| 271 | V | 28.9 | Very low | 27.6 | Very low | 27 Ų | 27 | 101.8 Ų | 101.8 | 16% | 0.164 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.9 | 173 | -178.4 | 0 | 0 | 0 | 0 | 109 | E107 Y109 I164 V269 G273 | E107-V271 VanDerWaalsContact O-O 3.14Å; Y109-V271 HydrophobicContact CD2-CB 4.2Å; Y109-V271 HydrophobicContact CD2-CG2 3.77Å; Y109-V271 HydrophobicContact CE2-CB 4.38Å; Y109-V271 HydrophobicContact CE2-CG2 4.31Å; I164-V271 HydrophobicContact CB-CG1 4.4Å; I164-V271 HydrophobicContact CD1-CB 4.31Å; I164-V271 HydrophobicContact CD1-CG1 3.73Å; I164-V271 HydrophobicContact CD1-CG2 3.6Å; I164-V271 HydrophobicContact CG1-CG1 4.06Å; V269-V271 HydrophobicContact CG1-CG2 4.5Å; V271-G273 VanDerWaalsContact C-N 3.28Å; V271-G273 PolarHBondContact O-N 2.9Å |
| 272 | S | 29.4 | Very low | 27.3 | Very low | 42 Ų | 42 | 102.8 Ų | 102.8 | 29% | 0.294 | 53% | 0.525 | S | S | . | . | trans | -70.1 | 85.1 | 172.7 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | D162 R274 | D162-S272 WeakPolarHBondContact OD1-CB 3.36Å; D162-S272 PolarHBondContact OD1-OG 3.05Å; S272-R274 PolarHBondContact O-N 2.86Å | ||
| 273 | G | 28.6 | Very low | 27.1 | Very low | 47 Ų | 47 | 107.5 Ų | 107.5 | 49% | 0.485 | 55% | 0.547 | S | S | . | . | trans | -69.5 | 51.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V271 M275 | V271-G273 VanDerWaalsContact C-N 3.28Å; V271-G273 PolarHBondContact O-N 2.9Å; G273-M275 VanDerWaalsContact C-N 3.26Å; G273-M275 PolarHBondContact O-N 2.81Å | ||
| 274 | R | 26.6 | Very low | 27 | Very low | 153 Ų | 153 | 105 Ų | 105 | 58% | 0.577 | 54% | 0.538 | S | S | * | . | trans | -69.6 | 88.6 | 170.5 | -84.6 | -172.5 | 168.5 | 166.3 | 1.5 | 109 | Y184 S272 F276 | Y184-R274 VanDerWaalsContact OH-CZ 3.25Å; Y184-R274 PolarHBondContact OH-NH1 3.02Å; Y184-R274 PolarHBondContact OH-NH2 2.87Å; S272-R274 PolarHBondContact O-N 2.86Å; R274-F276 PolarHBondContact O-N 3.45Å | ||
| 275 | M | 26.2 | Very low | 26.6 | Very low | 181 Ų | 181 | 115.1 Ų | 115.1 | 89% | 0.892 | 58% | 0.575 | S | S | * | * | trans | -48.3 | 109.7 | 166.2 | -163.4 | 173.6 | -167.5 | 0 | 0 | 108.5 | G273 | G273-M275 VanDerWaalsContact C-N 3.26Å; G273-M275 PolarHBondContact O-N 2.81Å | ||
| 276 | F | 23.7 | Very low | 26.4 | Very low | 169 Ų | 169 | 117.9 Ų | 117.9 | 74% | 0.741 | 59% | 0.59 | S | S | * | * | trans | -58.4 | 130 | 170 | -89 | -93.4 | 0 | 0 | 0 | 107.6 | R274 | R274-F276 PolarHBondContact O-N 3.45Š| ||
| 277 | P | 23.9 | Very low | 26.1 | Very low | 95 Ų | 95 | 119.3 Ų | 119.3 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -66.9 | 138.7 | 169.1 | 31.6 | -34 | 0 | 0 | 0 | 108 | ||
| 278 | Y | 23.2 | Very low | 25.9 | Very low | 234 Ų | 234 | 117.6 Ų | 117.6 | 92% | 0.918 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 78.8 | 48.8 | 171.3 | -42.2 | -71.1 | 0 | 0 | 0 | 118.8 | ||
| 279 | S | 24.4 | Very low | 25.4 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 66% | 0.664 | 65% | 0.652 | S | S | * | * | trans | -141 | 120.7 | 153.4 | 60.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 280 | D | 22.5 | Very low | 25.3 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 84% | 0.84 | 68% | 0.676 | S | S | * | * | trans | -64.9 | 141.4 | 178.8 | -68.5 | -49.8 | 0 | 0 | 0 | 111.7 | Y282 | D280-Y282 PolarHBondContact O-N 2.86Å; D280-Y282 VanDerWaalsContact O-N 3.09Å | ||
| 281 | P | 24.9 | Very low | 25.1 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | trans | -70.5 | 105.8 | 175.8 | 28.5 | -33.3 | 0 | 0 | 0 | 110.6 | ||||
| 282 | Y | 23 | Very low | 24.9 | Very low | 214 Ų | 214 | 135.8 Ų | 135.8 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | -75.1 | 126.4 | 173.4 | 179.6 | -100.3 | 0 | 0 | 0 | 111.2 | D280 | D280-Y282 PolarHBondContact O-N 2.86Å; D280-Y282 VanDerWaalsContact O-N 3.09Å | ||
| 283 | I | 24.6 | Very low | 24.8 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -104.9 | 93.5 | 177.8 | -55.5 | 177.5 | 0 | 0 | 0 | 109.1 | ||||
| 284 | G | 23.7 | Very low | 24.6 | Very low | 41 Ų | 41 | 144.7 Ų | 144.7 | 42% | 0.423 | 78% | 0.783 | S | S | . | * | trans | -80.2 | 136.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I286 | G284-I286 PolarHBondContact O-N 3.04Š| ||
| 285 | R | 24 | Very low | 24.6 | Very low | 254 Ų | 254 | 149 Ų | 149 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | -74.2 | 124 | 172 | -75.3 | -175.7 | 175.3 | -174.9 | -1.8 | 110 | G287 | R285-G287 PolarHBondContact O-N 3.29Š| ||
| 286 | I | 24.3 | Very low | 24.5 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -78.2 | 109.5 | 168.4 | -59.1 | 172.3 | 0 | 0 | 0 | 107.2 | G284 | G284-I286 PolarHBondContact O-N 3.04Š| ||
| 287 | G | 23.7 | Very low | 24.6 | Very low | 59 Ų | 59 | 143.4 Ų | 143.4 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | trans | 169.2 | 61.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R285 | R285-G287 PolarHBondContact O-N 3.29Š| ||
| 288 | D | 25.1 | Very low | 24.7 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -167.3 | 101.2 | 145.1 | -95.8 | -25 | 0 | 0 | 0 | 108.3 | ||||
| 289 | L | 23.2 | Very low | 24.9 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -77.5 | 127.2 | 166.4 | -90.8 | 71.9 | 0 | 0 | 0 | 107.8 | ||||
| 290 | G | 26 | Very low | 25.1 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -147.8 | 97 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 291 | D | 27.8 | Very low | 25.3 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -1.7 | 139.1 | 174.4 | -84.1 | -43 | 0 | 0 | 0 | 121.3 | ||||
| 292 | G | 23.8 | Very low | 25.3 | Very low | 69 Ų | 69 | 138.2 Ų | 138.2 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -81.4 | 149.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 293 | S | 27.1 | Very low | 25.6 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -175.1 | 139.6 | 136.9 | 44.5 | 0 | 0 | 0 | 0 | 113.2 | R295 | S293-R295 PolarHBondContact O-N 3.09Š| ||
| 294 | N | 25.1 | Very low | 25.6 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -7.6 | 113.3 | 160.7 | -59.2 | -31 | 0 | 0 | 0 | 118.4 | ||||
| 295 | R | 25.6 | Very low | 25.6 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -161.5 | 124 | 138.7 | -114.8 | 167.7 | -175.8 | -164.8 | -0.2 | 112.9 | S293 | S293-R295 PolarHBondContact O-N 3.09Š| ||
| 296 | P | 25.2 | Very low | 25.7 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -97.6 | 161.1 | 175.1 | 37.1 | -33.2 | 0 | 0 | 0 | 113.3 | ||||
| 297 | A | 25.7 | Very low | 25.8 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | 65.8 | 112.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 298 | G | 26.3 | Very low | 25.9 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 160.9 | 94.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 299 | L | 26.1 | Very low | 25.9 | Very low | 169 Ų | 169 | 135 Ų | 135 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -75.5 | -177.4 | 166.1 | -66.4 | 108.2 | 0 | 0 | 0 | 110.4 | ||||
| 300 | P | 28.7 | Very low | 26 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | -135.2 | 156.7 | -61.7 | 38.1 | -23.8 | 0 | 0 | 0 | 112.2 | |||||
| 301 | S | 28.2 | Very low | 26 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 179.6 | 125.5 | 151.2 | 51 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 302 | S | 24.7 | Very low | 26.1 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | 55.9 | 155.9 | 142.3 | -70.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 303 | P | 28.9 | Very low | 26.3 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -96.7 | -172.9 | -174.4 | 41.5 | -38.3 | 0 | 0 | 0 | 113.9 | ||||
| 304 | D | 24 | Very low | 26.2 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 80.9 | 133.2 | 164.6 | -64.2 | -29.3 | 0 | 0 | 0 | 119.4 | ||||
| 305 | Q | 25 | Very low | 26.2 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | 70.1 | 143.6 | 172.1 | -52.4 | 160.2 | 52.9 | 0 | 0 | 112.5 | ||||
| 306 | V | 25.9 | Very low | 26.3 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | cis | -150.1 | 119.4 | 34.6 | 176.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 307 | V | 25.4 | Very low | 26.3 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | 53.3 | 121.7 | 93.6 | 173.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 308 | Q | 25.9 | Very low | 26.5 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 66% | 0.659 | 77% | 0.767 | S | S | * | * | -174.9 | 131.1 | 79.3 | -132.7 | 147.4 | 69.7 | 0 | 0 | 108 | |||||
| 309 | R | 26 | Very low | 26.6 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | 64.8 | 145.7 | 106.5 | -70.3 | -163.6 | -167.7 | 149.2 | -2.7 | 116.1 | |||||
| 310 | T | 25.2 | Very low | 26.7 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | cis | -170.5 | 179.5 | -3.2 | 23.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 311 | R | 25.6 | Very low | 26.6 | Very low | 198 Ų | 198 | 143 Ų | 143 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | cis | -170.6 | 173.4 | 21 | -136.3 | 150.9 | -179.3 | -171.7 | 0.6 | 108.4 | ||||
| 312 | E | 29.2 | Very low | 26.5 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 65.5 | 142.1 | 155.6 | -68.4 | 141.1 | -135.5 | 0 | 0 | 117 | ||||
| 313 | S | 28 | Very low | 26.5 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | cis | -153.5 | 154.4 | -13 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 314 | E | 24.7 | Very low | 26.2 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -61.5 | 160.9 | 177 | -60.9 | 165.6 | 122.8 | 0 | 0 | 114.3 | ||||
| 315 | I | 26.6 | Very low | 26.3 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | 99.9 | 138.7 | 155.6 | -59.2 | 143.9 | 0 | 0 | 0 | 118.6 | ||||
| 316 | A | 27.5 | Very low | 26.3 | Very low | 78 Ų | 78 | 146.6 Ų | 146.6 | 65% | 0.645 | 76% | 0.757 | S | S | * | * | trans | 85 | 94.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 317 | D | 25.8 | Very low | 26.2 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | 43.7 | 96.4 | 122.8 | -53.5 | -26 | 0 | 0 | 0 | 119.9 | |||||
| 318 | S | 28.9 | Very low | 26.2 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -152.7 | 134.7 | 133.6 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | M320 | S318-M320 PolarHBondContact O-N 3.45Š| ||
| 319 | E | 27.7 | Very low | 26.2 | Very low | 201 Ų | 201 | 149.9 Ų | 149.9 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | trans | -67 | 123.3 | -172.6 | -58.7 | 165.9 | 124.6 | 0 | 0 | 111.9 | ||||
| 320 | M | 29.1 | Very low | 26.3 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | -129.9 | 119.3 | 160.4 | -154.4 | 178.3 | -174.5 | 0 | 0 | 109 | S318 S322 | S318-M320 PolarHBondContact O-N 3.45Å; M320-S322 PolarHBondContact O-N 3.35Å | ||
| 321 | P | 26.4 | Very low | 26.7 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | trans | -69.6 | 128.5 | -164.5 | 26 | -34.4 | 0 | 0 | 0 | 111.7 | C323 | P321-C323 PolarHBondContact O-N 2.92Å; P321-C323 VanDerWaalsContact O-N 3.1Å | ||
| 322 | S | 26.7 | Very low | 27 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | -62.2 | 112.4 | 167.5 | 50.3 | 0 | 0 | 0 | 0 | 109.5 | M320 N324 | M320-S322 PolarHBondContact O-N 3.35Å; S322-N324 PolarHBondContact O-N 3.28Å; S322-N324 PolarHBondContact O-ND2 2.88Å; S322-N324 PolarHBondContact OG-ND2 2.82Å; S322-N324 VanDerWaalsContact OG-ND2 3.14Å | ||
| 323 | C | 24.1 | Very low | 27.2 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | trans | -70.7 | 75.5 | 176.8 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | P321 Y325 | P321-C323 PolarHBondContact O-N 2.92Å; P321-C323 VanDerWaalsContact O-N 3.1Å; C323-Y325 HydrophobicContact CB-CD2 4.36Å; C323-Y325 HydrophobicContact CB-CE2 3.86Å; C323-Y325 WeakPolarHBondContact O-CD2 3.43Å; C323-Y325 PolarHBondContact O-N 2.89Å | ||
| 324 | N | 23.4 | Very low | 27.7 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -71 | 87.9 | 173.6 | -70.4 | -53.9 | 0 | 0 | 0 | 110.2 | S322 R326 | S322-N324 PolarHBondContact O-N 3.28Å; S322-N324 PolarHBondContact O-ND2 2.88Å; S322-N324 PolarHBondContact OG-ND2 2.82Å; S322-N324 VanDerWaalsContact OG-ND2 3.14Å; N324-R326 PolarHBondContact O-N 3.39Å | ||
| 325 | Y | 24.5 | Very low | 28.6 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 75% | 0.745 | 69% | 0.693 | S | S | * | * | trans | -70.1 | 95.2 | 172.9 | -72.8 | -74.4 | 0 | 0 | 0 | 111 | C323 Y327 | C323-Y325 HydrophobicContact CB-CD2 4.36Å; C323-Y325 HydrophobicContact CB-CE2 3.86Å; C323-Y325 WeakPolarHBondContact O-CD2 3.43Å; C323-Y325 PolarHBondContact O-N 2.89Å; Y325-Y327 PolarHBondContact O-N 2.88Å | ||
| 326 | R | 25.5 | Very low | 29.5 | Very low | 224 Ų | 224 | 129.4 Ų | 129.4 | 85% | 0.845 | 67% | 0.669 | S | S | * | * | trans | -83.8 | 100.7 | 178.1 | -156.3 | 177.3 | -164.5 | 176.5 | 5.7 | 109.5 | N324 L328 | N324-R326 PolarHBondContact O-N 3.39Å; R326-L328 PolarHBondContact O-N 3.44Å | ||
| 327 | Y | 25 | Very low | 30.2 | Very low | 219 Ų | 219 | 127 Ų | 127 | 86% | 0.859 | 65% | 0.645 | S | S | * | * | trans | -66.5 | 104.9 | 175.3 | -75.4 | -89.5 | 0 | 0 | 0 | 110.7 | Y325 S329 | Y325-Y327 PolarHBondContact O-N 2.88Å; Y327-S329 PolarHBondContact O-N 2.95Å | ||
| 328 | L | 25 | Very low | 31.1 | Very low | 115 Ų | 115 | 127 Ų | 127 | 60% | 0.602 | 63% | 0.633 | S | S | * | * | trans | -70.8 | 122.5 | 177.6 | -84.3 | 157.4 | 0 | 0 | 0 | 111 | R326 M330 L337 | R326-L328 PolarHBondContact O-N 3.44Å; L328-M330 PolarHBondContact O-N 2.8Å; L328-L337 HydrophobicContact CD1-CD2 4.5Å | ||
| 329 | S | 25.3 | Very low | 32.1 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 62% | 0.621 | S | S | * | * | trans | -72 | 89.5 | 177 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | Y327 R331 | Y327-S329 PolarHBondContact O-N 2.95Å; S329-R331 PolarHBondContact O-N 3.04Å | ||
| 330 | M | 29.3 | Very low | 33.2 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 38% | 0.379 | 59% | 0.594 | S | S | . | * | trans | -73.4 | 61.8 | 179.3 | -65.7 | -69.4 | -76.2 | 0 | 0 | 113 | L328 L334 L337 | L328-M330 PolarHBondContact O-N 2.8Å; M330-L334 HydrophobicContact CE-CD2 3.66Å; M330-L334 HydrophobicContact CE-CG 3.69Å; M330-L337 HydrophobicContact CE-CD2 4.38Å; M330-L337 HydrophobicContact SD-CB 4.42Å; M330-L337 HydrophobicContact SD-CD1 3.84Å; M330-L337 HydrophobicContact SD-CD2 3.76Å; M330-L337 HydrophobicContact SD-CG 4.21Å | ||
| 331 | R | 31.6 | Very low | 34.1 | Very low | 249 Ų | 249 | 120 Ų | 120 | 94% | 0.94 | 58% | 0.575 | S | S | * | * | trans | -75.7 | -3.4 | 159.8 | -104.4 | -174.6 | 176.4 | 175.5 | -0.1 | 112.4 | S329 | S329-R331 PolarHBondContact O-N 3.04Š| ||
| 332 | E | 32.4 | Very low | 35.4 | Very low | 56 Ų | 56 | 119.7 Ų | 119.7 | 26% | 0.262 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -112.3 | 149.1 | -172.9 | -58.6 | -178.9 | 156.4 | 0 | 0 | 111.1 | L334 V336 R340 | E332-L334 PolarHBondContact O-N 3.07Å; E332-V336 HydrophobicContact CB-CG1 4.5Å; E332-R340 IonicContact OE1-CZ 3.76Å; E332-R340 IonicContact OE1-NH1 3.95Å; E332-R340 PolarHBondContact OE1-NH1 3.35Å; E332-R340 IonicContact OE1-NH2 2.84Å; E332-R340 PolarHBondContact OE1-NH2 2.98Å; E332-R340 IonicContact OE2-CZ 3.91Å; E332-R340 IonicContact OE2-NE 3Å; E332-R340 IonicContact OE2-NH1 2.74Å; E332-R340 PolarHBondContact OE2-NH1 2.92Å; E332-R340 IonicContact OE2-NH2 3.37Å; E332-R340 PolarHBondContact OE2-NH2 3.4Å |
| 333 | P | 34.3 | Very low | 36.7 | Very low | 77 Ų | 77 | 123.2 Ų | 123.2 | 50% | 0.5 | 57% | 0.571 | S | S | . | * | trans | -56.1 | 140.2 | 168.6 | -21.7 | 32.1 | 0 | 0 | 0 | 110.6 | D335 V336 L337 | P333-D335 PolarHBondContact O-N 2.94Å; P333-V336 HydrophobicContact CB-CB 4.45Å; P333-V336 HydrophobicContact CB-CG2 4.09Å; P333-V336 HydrophobicContact CG-CG2 3.96Å; P333-V336 WeakPolarHBondContact O-CA 3.33Å; P333-V336 WeakPolarHBondContact O-CB 3.34Å; P333-V336 PolarHBondContact O-N 3.28Å; P333-L337 PolarHBondContact O-N 2.92Å; P333-L337 VanDerWaalsContact O-N 3.1Å | ||
| 334 | L | 37.8 | Very low | 37.8 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -48.2 | -36.1 | 172.4 | -90.4 | 156.4 | 0 | 0 | 0 | 112 | M330 E332 V336 L337 R338 | M330-L334 HydrophobicContact CE-CD2 3.66Å; M330-L334 HydrophobicContact CE-CG 3.69Å; E332-L334 PolarHBondContact O-N 3.07Å; L334-V336 VanDerWaalsContact C-N 3.32Å; L334-V336 PolarHBondContact O-N 2.93Å; L334-L337 PolarHBondContact O-N 2.73Å; L334-R338 WeakPolarHBondContact O-CB 3.31Å; L334-R338 PolarHBondContact O-N 2.9Å |
| 335 | D | 44.5 | Very low | 38.7 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 38% | 0.38 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73.3 | -22.6 | -177.5 | -40.2 | -68 | 0 | 0 | 0 | 112.5 | R101 P333 R339 | R101-D335 IonicContact CZ-OD2 3.16Å; R101-D335 IonicContact NH1-OD1 2.9Å; R101-D335 IonicContact NH1-OD2 3.8Å; R101-D335 PolarHBondContact NH1-OD2 3.03Å; R101-D335 IonicContact NH2-OD1 2.76Å; R101-D335 PolarHBondContact NH2-OD1 3.37Å; R101-D335 IonicContact NH2-OD2 2.72Å; P333-D335 PolarHBondContact O-N 2.94Å; D335-R339 VanDerWaalsContact O-CG 3.29Å; D335-R339 WeakPolarHBondContact O-CG 3.42Å; D335-R339 PolarHBondContact O-N 3.01Å |
| 336 | V | 44.7 | Very low | 39.4 | Very low | 55 Ų | 55 | 119.8 Ų | 119.8 | 33% | 0.333 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -82.6 | -43.4 | 171.5 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | E332 P333 L334 R338 R339 R340 | E332-V336 HydrophobicContact CB-CG1 4.5Å; P333-V336 HydrophobicContact CB-CB 4.45Å; P333-V336 HydrophobicContact CB-CG2 4.09Å; P333-V336 HydrophobicContact CG-CG2 3.96Å; P333-V336 WeakPolarHBondContact O-CA 3.33Å; P333-V336 WeakPolarHBondContact O-CB 3.34Å; P333-V336 PolarHBondContact O-N 3.28Å; L334-V336 VanDerWaalsContact C-N 3.32Å; L334-V336 PolarHBondContact O-N 2.93Å; V336-R338 VanDerWaalsContact C-N 3.34Å; V336-R339 PolarHBondContact O-N 3.2Å; V336-R340 WeakPolarHBondContact O-CB 3.44Å; V336-R340 PolarHBondContact O-N 2.86Å |
| 337 | L | 42.5 | Very low | 39.9 | Very low | 28 Ų | 28 | 119 Ų | 119 | 15% | 0.147 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -63.4 | -42.5 | 177.5 | -158.6 | 100.7 | 0 | 0 | 0 | 111 | L328 M330 P333 L334 R340 L341 | L328-L337 HydrophobicContact CD1-CD2 4.5Å; M330-L337 HydrophobicContact CE-CD2 4.38Å; M330-L337 HydrophobicContact SD-CB 4.42Å; M330-L337 HydrophobicContact SD-CD1 3.84Å; M330-L337 HydrophobicContact SD-CD2 3.76Å; M330-L337 HydrophobicContact SD-CG 4.21Å; P333-L337 PolarHBondContact O-N 2.92Å; P333-L337 VanDerWaalsContact O-N 3.1Å; L334-L337 PolarHBondContact O-N 2.73Å; L337-R340 WeakPolarHBondContact O-CB 3.32Å; L337-R340 PolarHBondContact O-N 3.43Å; L337-R340 VanDerWaalsContact O-N 3.15Å; L337-L341 HydrophobicContact CD2-CD1 3.97Å; L337-L341 HydrophobicContact CG-CD1 4.42Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.06Å |
| 338 | R | 45.1 | Very low | 40.1 | Very low | 164 Ų | 164 | 116.2 Ų | 116.2 | 62% | 0.619 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.8 | -51.1 | 175.7 | -179.8 | 171.6 | -177 | 158.4 | 7.5 | 112.1 | L334 V336 R340 L341 E342 | L334-R338 WeakPolarHBondContact O-CB 3.31Å; L334-R338 PolarHBondContact O-N 2.9Å; V336-R338 VanDerWaalsContact C-N 3.34Å; R338-R340 PolarHBondContact O-N 2.85Å; R338-L341 PolarHBondContact O-N 3.37Å; R338-E342 HydrophobicContact CG-CG 4.41Å; R338-E342 WeakPolarHBondContact CG-OE1 3.48Å; R338-E342 IonicContact CZ-OE1 3.8Å; R338-E342 IonicContact NE-OE1 3.64Å; R338-E342 PolarHBondContact NE-OE1 3.45Å; R338-E342 IonicContact NH2-OE1 2.78Å; R338-E342 WeakPolarHBondContact O-CB 3.46Å; R338-E342 VanDerWaalsContact O-CG 3.28Å; R338-E342 WeakPolarHBondContact O-CG 3.38Å; R338-E342 PolarHBondContact O-N 3.45Å |
| 339 | R | 48.5 | Very low | 40.5 | Very low | 161 Ų | 161 | 118.8 Ų | 118.8 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.7 | -36.4 | 174.1 | -74 | 177.8 | -154.5 | -176.6 | 5.1 | 112.4 | D335 V336 Q343 | D335-R339 VanDerWaalsContact O-CG 3.29Å; D335-R339 WeakPolarHBondContact O-CG 3.42Å; D335-R339 PolarHBondContact O-N 3.01Å; V336-R339 PolarHBondContact O-N 3.2Å; R339-Q343 VanDerWaalsContact O-CB 3.24Å; R339-Q343 WeakPolarHBondContact O-CB 3.47Å; R339-Q343 WeakPolarHBondContact O-CG 3.35Å; R339-Q343 PolarHBondContact O-N 3.47Å |
| 340 | R | 51.3 | Low | 40.6 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 38% | 0.381 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.3 | -41.3 | -179.7 | -156.6 | 178 | -61 | 174.4 | -1 | 111.9 | E332 V336 L337 R338 Q343 Q344 | E332-R340 IonicContact OE1-CZ 3.76Å; E332-R340 IonicContact OE1-NH1 3.95Å; E332-R340 PolarHBondContact OE1-NH1 3.35Å; E332-R340 IonicContact OE1-NH2 2.84Å; E332-R340 PolarHBondContact OE1-NH2 2.98Å; E332-R340 IonicContact OE2-CZ 3.91Å; E332-R340 IonicContact OE2-NE 3Å; E332-R340 IonicContact OE2-NH1 2.74Å; E332-R340 PolarHBondContact OE2-NH1 2.92Å; E332-R340 IonicContact OE2-NH2 3.37Å; E332-R340 PolarHBondContact OE2-NH2 3.4Å; V336-R340 WeakPolarHBondContact O-CB 3.44Å; V336-R340 PolarHBondContact O-N 2.86Å; L337-R340 WeakPolarHBondContact O-CB 3.32Å; L337-R340 PolarHBondContact O-N 3.43Å; L337-R340 VanDerWaalsContact O-N 3.15Å; R338-R340 PolarHBondContact O-N 2.85Å; R340-Q343 PolarHBondContact O-N 3.43Å; R340-Q344 VanDerWaalsContact O-CB 3.25Å; R340-Q344 WeakPolarHBondContact O-CB 3.4Å; R340-Q344 VanDerWaalsContact O-CG 3.27Å; R340-Q344 WeakPolarHBondContact O-CG 3.48Å; R340-Q344 PolarHBondContact O-N 3.4Å |
| 341 | L | 48.8 | Very low | 40.5 | Very low | 93 Ų | 93 | 127 Ų | 127 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65 | -44.9 | 172.8 | -69.1 | 166.5 | 0 | 0 | 0 | 111.1 | L337 R338 Q343 Q344 | L337-L341 HydrophobicContact CD2-CD1 3.97Å; L337-L341 HydrophobicContact CG-CD1 4.42Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.06Å; R338-L341 PolarHBondContact O-N 3.37Å; L341-Q343 VanDerWaalsContact C-N 3.29Å; L341-Q343 PolarHBondContact O-N 2.91Å; L341-Q344 PolarHBondContact O-N 2.97Å; L341-Q344 VanDerWaalsContact O-N 3.13Å |
| 342 | E | 53.6 | Low | 40.2 | Very low | 102 Ų | 102 | 121 Ų | 121 | 48% | 0.477 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.1 | -34 | 175.4 | -70.8 | 164.1 | 174.8 | 0 | 0 | 112.1 | R338 | R338-E342 HydrophobicContact CG-CG 4.41Å; R338-E342 WeakPolarHBondContact CG-OE1 3.48Å; R338-E342 IonicContact CZ-OE1 3.8Å; R338-E342 IonicContact NE-OE1 3.64Å; R338-E342 PolarHBondContact NE-OE1 3.45Å; R338-E342 IonicContact NH2-OE1 2.78Å; R338-E342 WeakPolarHBondContact O-CB 3.46Å; R338-E342 VanDerWaalsContact O-CG 3.28Å; R338-E342 WeakPolarHBondContact O-CG 3.38Å; R338-E342 PolarHBondContact O-N 3.45Å |
| 343 | Q | 53.6 | Low | 39.9 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 77% | 0.771 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -81.5 | -17.8 | 173.8 | -74.7 | 176.2 | -11.6 | 0 | 0 | 114.5 | R339 R340 L341 | R339-Q343 VanDerWaalsContact O-CB 3.24Å; R339-Q343 WeakPolarHBondContact O-CB 3.47Å; R339-Q343 WeakPolarHBondContact O-CG 3.35Å; R339-Q343 PolarHBondContact O-N 3.47Å; R340-Q343 PolarHBondContact O-N 3.43Å; L341-Q343 VanDerWaalsContact C-N 3.29Å; L341-Q343 PolarHBondContact O-N 2.91Å |
| 344 | Q | 48 | Very low | 39.5 | Very low | 126 Ų | 126 | 123 Ų | 123 | 59% | 0.589 | 63% | 0.626 | S | S | * | * | trans | -90.4 | 1.6 | -177.6 | -84.7 | -174.4 | -31.1 | 0 | 0 | 114.6 | R340 L341 G346 R347 | R340-Q344 VanDerWaalsContact O-CB 3.25Å; R340-Q344 WeakPolarHBondContact O-CB 3.4Å; R340-Q344 VanDerWaalsContact O-CG 3.27Å; R340-Q344 WeakPolarHBondContact O-CG 3.48Å; R340-Q344 PolarHBondContact O-N 3.4Å; L341-Q344 PolarHBondContact O-N 2.97Å; L341-Q344 VanDerWaalsContact O-N 3.13Å; Q344-G346 PolarHBondContact O-N 3.39Å; Q344-R347 PolarHBondContact O-N 2.87Å | ||
| 345 | N | 42 | Very low | 38.9 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 21.4 | 177 | -83.9 | -20.7 | 0 | 0 | 0 | 116.2 | ||
| 346 | G | 38.8 | Very low | 38.2 | Very low | 68 Ų | 68 | 127.1 Ų | 127.1 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.5 | 9.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q344 | Q344-G346 PolarHBondContact O-N 3.39Š|
| 347 | R | 36.4 | Very low | 37.1 | Very low | 209 Ų | 209 | 129 Ų | 129 | 79% | 0.789 | 67% | 0.672 | S | S | * | * | trans | -137.5 | 102 | 177.1 | -82.1 | -171.6 | 170.7 | 177.3 | -2.5 | 114.3 | Q344 F349 | Q344-R347 PolarHBondContact O-N 2.87Å; R347-F349 HydrophobicContact CB-CD2 4.2Å; R347-F349 HydrophobicContact CB-CE2 4.25Å; R347-F349 PolarHBondContact O-N 3.33Å | ||
| 348 | N | 29.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 70% | 0.701 | S | S | * | * | trans | -61.5 | 110 | 170.6 | -60.8 | -27.1 | 0 | 0 | 0 | 111.5 | ||||
| 349 | F | 33.5 | Very low | 35.5 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 74% | 0.737 | 70% | 0.703 | S | S | * | * | trans | -141.4 | 64.2 | 166.5 | -75.6 | -75.5 | 0 | 0 | 0 | 111.8 | R347 N351 | R347-F349 HydrophobicContact CB-CD2 4.2Å; R347-F349 HydrophobicContact CB-CE2 4.25Å; R347-F349 PolarHBondContact O-N 3.33Å; F349-N351 PolarHBondContact O-N 3.21Å | ||
| 350 | F | 25.7 | Very low | 34.5 | Very low | 204 Ų | 204 | 135.1 Ų | 135.1 | 90% | 0.895 | 71% | 0.711 | S | S | * | * | trans | -69.1 | 111.7 | 138.2 | -75.1 | -94.5 | 0 | 0 | 0 | 106.5 | ||||
| 351 | N | 28.3 | Very low | 33.2 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | 178.8 | 118.5 | 151.7 | -94.3 | -24.2 | 0 | 0 | 0 | 112.8 | F349 | F349-N351 PolarHBondContact O-N 3.21Š| ||
| 352 | S | 24.5 | Very low | 32 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 65.6 | 168 | 147.4 | -145.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 353 | A | 27.6 | Very low | 30.6 | Very low | 80 Ų | 80 | 141.9 Ų | 141.9 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | trans | 59.7 | 106.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 354 | S | 24.6 | Very low | 29.3 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | cis | 63.1 | 138.7 | 40.6 | 94.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 355 | D | 25.7 | Very low | 28.3 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 82.4 | 144.6 | 164.5 | -54.3 | -57.1 | 0 | 0 | 0 | 121.7 | ||||
| 356 | S | 29.1 | Very low | 27.6 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 72.1 | 87 | 168.3 | 66.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 357 | S | 23.3 | Very low | 27 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | trans | -51.6 | 139 | 150.4 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 358 | L | 26.7 | Very low | 26.7 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -139.8 | 104.5 | 154.3 | -147.4 | 84.2 | 0 | 0 | 0 | 109.9 | Y360 | L358-Y360 HydrophobicContact CD2-CD2 4.23Å; L358-Y360 HydrophobicContact CD2-CE2 3.55Å; L358-Y360 HydrophobicContact CG-CE2 4.37Å | ||
| 359 | H | 26.9 | Very low | 26.7 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 65% | 0.653 | 75% | 0.751 | S | S | * | * | trans | -80.8 | 125.6 | 177.5 | -67.1 | -104.9 | 0 | 0 | 0 | 109.7 | Y361 | H359-Y361 HydrophobicContact CB-CE2 4.36Š| ||
| 360 | Y | 27.1 | Very low | 26.7 | Very low | 200 Ų | 200 | 135.3 Ų | 135.3 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -119.8 | 102.8 | 159.9 | -83.9 | -67.6 | 0 | 0 | 0 | 109.6 | L358 | L358-Y360 HydrophobicContact CD2-CD2 4.23Å; L358-Y360 HydrophobicContact CD2-CE2 3.55Å; L358-Y360 HydrophobicContact CG-CE2 4.37Å | ||
| 361 | Y | 23.9 | Very low | 26.9 | Very low | 207 Ų | 207 | 128.4 Ų | 128.4 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -70.5 | 122.9 | 162.4 | -71.2 | -99.1 | 0 | 0 | 0 | 108.3 | H359 | H359-Y361 HydrophobicContact CB-CE2 4.36Š| ||
| 362 | T | 23.7 | Very low | 26.9 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -118.1 | 89.9 | 156 | 55.3 | 0 | 0 | 0 | 0 | 107.7 | I364 | T362-I364 PolarHBondContact O-N 2.91Š| ||
| 363 | S | 23.8 | Very low | 27.2 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -57.7 | 115.6 | 159.6 | 46.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 364 | I | 26.5 | Very low | 27.3 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | trans | -111.7 | 66.7 | 161.4 | -50.5 | 179.7 | 0 | 0 | 0 | 107.2 | T362 E366 | T362-I364 PolarHBondContact O-N 2.91Å; I364-E366 VanDerWaalsContact C-N 3.34Å | ||
| 365 | N | 27.7 | Very low | 27.3 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -75.8 | 100.9 | 131.3 | -81.8 | -8.8 | 0 | 0 | 0 | 104.2 | ||||
| 366 | E | 26.4 | Very low | 27.5 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 175.2 | 141.9 | 149.4 | -98.7 | 155.6 | -153 | 0 | 0 | 112.2 | I364 S368 | I364-E366 VanDerWaalsContact C-N 3.34Å; E366-S368 PolarHBondContact O-N 3.39Å |
| 367 | S | 26.6 | Very low | 27.6 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -36.2 | 123 | 171.1 | 46.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 368 | S | 30.3 | Very low | 27.8 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -142.4 | 53.3 | 161.7 | 38 | 0 | 0 | 0 | 0 | 110.1 | E366 P370 | E366-S368 PolarHBondContact O-N 3.39Å; S368-P370 WeakPolarHBondContact O-CD 3.43Å | ||
| 369 | D | 29.9 | Very low | 27.8 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 53% | 0.529 | 78% | 0.779 | S | S | . | * | trans | -91.7 | 116 | 170 | -166.7 | -14.7 | 0 | 0 | 0 | 108.8 | G371 Y372 | D369-G371 PolarHBondContact O-N 3.39Å; D369-G371 WeakPolarHBondContact OD1-CA 3.3Å; D369-G371 PolarHBondContact OD1-N 3.36Å; D369-Y372 WeakPolarHBondContact OD2-CD2 3.42Å | ||
| 370 | P | 33.3 | Very low | 27.9 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 0.2 | 171.9 | -13.2 | 29.9 | 0 | 0 | 0 | 113.3 | S368 | S368-P370 WeakPolarHBondContact O-CD 3.43Š|
| 371 | G | 29.7 | Very low | 27.9 | Very low | 60 Ų | 60 | 138.9 Ų | 138.9 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -9.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | D369 E373 | D369-G371 PolarHBondContact O-N 3.39Å; D369-G371 WeakPolarHBondContact OD1-CA 3.3Å; D369-G371 PolarHBondContact OD1-N 3.36Å; G371-E373 PolarHBondContact O-N 3.29Å |
| 372 | Y | 28.6 | Very low | 28.2 | Very low | 202 Ų | 202 | 134.7 Ų | 134.7 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -92.4 | 77.4 | 176 | -98.7 | -93.3 | 0 | 0 | 0 | 111.3 | D369 A374 | D369-Y372 WeakPolarHBondContact OD2-CD2 3.42Å; Y372-A374 PolarHBondContact O-N 3.3Å | ||
| 373 | E | 30.1 | Very low | 28.5 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -65.3 | 120.8 | 156.1 | -76.3 | -169.3 | 149.1 | 0 | 0 | 108.6 | G371 V375 | G371-E373 PolarHBondContact O-N 3.29Å; E373-V375 PolarHBondContact O-N 2.77Å | ||
| 374 | A | 30 | Very low | 28.8 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 123.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y372 S376 | Y372-A374 PolarHBondContact O-N 3.3Å; A374-S376 PolarHBondContact O-N 3.11Å; A374-S376 VanDerWaalsContact O-N 3.11Å | ||
| 375 | V | 24.5 | Very low | 29 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | trans | -69.7 | 102.9 | 163.1 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | E373 | E373-V375 PolarHBondContact O-N 2.77Š| ||
| 376 | S | 29.7 | Very low | 29.1 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -147.4 | 45.1 | 179.4 | -68 | 0 | 0 | 0 | 0 | 113 | A374 | A374-S376 PolarHBondContact O-N 3.11Å; A374-S376 VanDerWaalsContact O-N 3.11Å | ||
| 377 | L | 30.1 | Very low | 29.3 | Very low | 241 Ų | 241 | 134.2 Ų | 134.2 | 100% | 1.262 | 80% | 0.799 | S | S | * | * | trans | -175.2 | 0 | 144.6 | -101.8 | 164 | 0 | 0 | 0 | 110.6 |
Retrieved 377 of 377 residues in 77.9 ms
(Link to these results)