| 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 | 33.1 | Very low | 30.6 | Very low | 151 Ų | 151 | 91.6 Ų | 91.6 | 74% | 0.744 | 48% | 0.483 | S | S | * | . | 0 | -42.9 | 0 | -164.6 | 173.6 | -78.7 | 0 | 0 | 112.9 | D3 Y4 L5 P528 | M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.61Å; M1-Y4 PolarHBondContact O-N 2.95Å; M1-L5 PolarHBondContact O-N 2.94Å; M1-P528 HydrophobicContact CB-CG 4.21Å | |||
| 2 | A | 27.6 | Very low | 30.5 | Very low | 32 Ų | 32 | 94.8 Ų | 94.8 | 26% | 0.264 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -54.9 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | L5 K6 | A2-L5 CarbonylContact O-C 3.39Å; A2-L5 WeakPolarHBondContact O-CA 3.17Å; A2-L5 WeakPolarHBondContact O-CB 3.15Å; A2-L5 PolarHBondContact O-N 3.18Å; A2-K6 PolarHBondContact O-N 2.56Å |
| 3 | D | 28.6 | Very low | 30.3 | Very low | 64 Ų | 64 | 94.8 Ų | 94.8 | 34% | 0.342 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -77.4 | -26.7 | -179.7 | -48.5 | -68.5 | 0 | 0 | 0 | 113.6 | M1 L5 K6 S7 | M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.61Å; D3-L5 VanDerWaalsContact C-N 3.3Å; D3-K6 CarbonylContact O-C 3.55Å; D3-K6 WeakPolarHBondContact O-CA 3.4Å; D3-K6 WeakPolarHBondContact O-CB 3.29Å; D3-K6 PolarHBondContact O-N 2.87Å; D3-K6 VanDerWaalsContact O-N 3.09Å; D3-K6 WeakPolarHBondContact OD1-CD 3.47Å; D3-K6 WeakPolarHBondContact OD1-CE 3.23Å; D3-K6 IonicContact OD1-NZ 2.68Å; D3-K6 PolarHBondContact OD1-NZ 3.03Å; D3-S7 PolarHBondContact O-N 2.76Å; D3-S7 PolarHBondContact O-OG 2.76Å |
| 4 | Y | 32.4 | Very low | 30.3 | Very low | 110 Ų | 110 | 94.4 Ų | 94.4 | 43% | 0.431 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 165.9 | -102.5 | -98.1 | 0 | 0 | 0 | 111 | M1 S7 A8 R217 | M1-Y4 PolarHBondContact O-N 2.95Å; Y4-S7 PolarHBondContact O-N 2.71Å; Y4-A8 WeakPolarHBondContact O-CB 3.37Å; Y4-A8 PolarHBondContact O-N 2.83Å; Y4-R217 HydrophobicContact CE2-CG 4.1Å; Y4-R217 WeakPolarHBondContact OH-CG 3.32Å; Y4-R217 PolarHBondContact OH-NE 2.94Å |
| 5 | L | 31.5 | Very low | 30 | Very low | 101 Ų | 101 | 93.6 Ų | 93.6 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -33.1 | 167.6 | -81.2 | 168.6 | 0 | 0 | 0 | 112.4 | M1 A2 D3 L9 | M1-L5 PolarHBondContact O-N 2.94Å; A2-L5 CarbonylContact O-C 3.39Å; A2-L5 WeakPolarHBondContact O-CA 3.17Å; A2-L5 WeakPolarHBondContact O-CB 3.15Å; A2-L5 PolarHBondContact O-N 3.18Å; D3-L5 VanDerWaalsContact C-N 3.3Å; L5-L9 WeakPolarHBondContact O-CA 3.25Å; L5-L9 WeakPolarHBondContact O-CB 3.22Å; L5-L9 WeakPolarHBondContact O-CD1 3.49Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.24Å |
| 6 | K | 31.2 | Very low | 29.9 | Very low | 119 Ų | 119 | 97.7 Ų | 97.7 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 171.7 | -68.8 | 176.3 | -169.8 | 153.6 | 0 | 112.3 | A2 D3 L9 S10 | A2-K6 PolarHBondContact O-N 2.56Å; D3-K6 CarbonylContact O-C 3.55Å; D3-K6 WeakPolarHBondContact O-CA 3.4Å; D3-K6 WeakPolarHBondContact O-CB 3.29Å; D3-K6 PolarHBondContact O-N 2.87Å; D3-K6 VanDerWaalsContact O-N 3.09Å; D3-K6 WeakPolarHBondContact OD1-CD 3.47Å; D3-K6 WeakPolarHBondContact OD1-CE 3.23Å; D3-K6 IonicContact OD1-NZ 2.68Å; D3-K6 PolarHBondContact OD1-NZ 3.03Å; K6-L9 CarbonylContact O-C 3.56Å; K6-L9 PolarHBondContact O-N 2.95Å; K6-S10 WeakPolarHBondContact O-CB 3.34Å; K6-S10 PolarHBondContact O-N 3.48Å |
| 7 | S | 29.6 | Very low | 29.9 | Very low | 84 Ų | 84 | 97.1 Ų | 97.1 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.7 | -43.4 | 175.1 | -68 | 0 | 0 | 0 | 0 | 112 | D3 Y4 S10 Y11 | D3-S7 PolarHBondContact O-N 2.76Å; D3-S7 PolarHBondContact O-OG 2.76Å; Y4-S7 PolarHBondContact O-N 2.71Å; S7-S10 VanDerWaalsContact O-CB 3.29Å; S7-S10 WeakPolarHBondContact O-CB 3.42Å; S7-S10 PolarHBondContact O-N 3.2Å; S7-S10 VanDerWaalsContact O-N 3.17Å; S7-Y11 PolarHBondContact O-N 3.09Å |
| 8 | A | 29.2 | Very low | 29.8 | Very low | 38 Ų | 38 | 98.8 Ų | 98.8 | 31% | 0.314 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y4 S10 Y11 F12 | Y4-A8 WeakPolarHBondContact O-CB 3.37Å; Y4-A8 PolarHBondContact O-N 2.83Å; A8-S10 VanDerWaalsContact C-N 3.27Å; A8-S10 PolarHBondContact O-N 3.1Å; A8-Y11 WeakPolarHBondContact O-CA 3.33Å; A8-Y11 WeakPolarHBondContact O-CB 3.33Å; A8-Y11 PolarHBondContact O-N 3.47Å; A8-Y11 VanDerWaalsContact O-N 3.14Å; A8-F12 WeakPolarHBondContact O-CD2 3.29Å; A8-F12 PolarHBondContact O-N 2.98Å |
| 9 | L | 29.1 | Very low | 29.9 | Very low | 102 Ų | 102 | 103.4 Ų | 103.4 | 53% | 0.534 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.2 | -18.6 | 173.5 | -72.7 | 165.4 | 0 | 0 | 0 | 112.7 | L5 K6 Y11 F12 S13 | L5-L9 WeakPolarHBondContact O-CA 3.25Å; L5-L9 WeakPolarHBondContact O-CB 3.22Å; L5-L9 WeakPolarHBondContact O-CD1 3.49Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.24Å; K6-L9 CarbonylContact O-C 3.56Å; K6-L9 PolarHBondContact O-N 2.95Å; L9-Y11 VanDerWaalsContact C-N 3.33Å; L9-F12 HydrophobicContact CD2-CB 4.33Å; L9-F12 CarbonylContact O-C 3.57Å; L9-F12 PolarHBondContact O-N 2.91Å; L9-S13 WeakPolarHBondContact O-CA 3.34Å; L9-S13 WeakPolarHBondContact O-CB 3.19Å; L9-S13 PolarHBondContact O-N 2.8Å; L9-S13 PolarHBondContact O-OG 2.74Å |
| 10 | S | 31.4 | Very low | 29.9 | Very low | 76 Ų | 76 | 105.3 Ų | 105.3 | 53% | 0.531 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.2 | -41.6 | 167.6 | -166.6 | 0 | 0 | 0 | 0 | 109.8 | K6 S7 A8 S13 | K6-S10 WeakPolarHBondContact O-CB 3.34Å; K6-S10 PolarHBondContact O-N 3.48Å; S7-S10 VanDerWaalsContact O-CB 3.29Å; S7-S10 WeakPolarHBondContact O-CB 3.42Å; S7-S10 PolarHBondContact O-N 3.2Å; S7-S10 VanDerWaalsContact O-N 3.17Å; A8-S10 VanDerWaalsContact C-N 3.27Å; A8-S10 PolarHBondContact O-N 3.1Å; S10-S13 PolarHBondContact O-OG 3.08Å |
| 11 | Y | 32.9 | Very low | 30.2 | Very low | 131 Ų | 131 | 108.8 Ų | 108.8 | 51% | 0.514 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58.4 | -54.7 | 168.3 | -115.9 | -103.4 | 0 | 0 | 0 | 111.3 | S7 A8 L9 S13 T14 | S7-Y11 PolarHBondContact O-N 3.09Å; A8-Y11 WeakPolarHBondContact O-CA 3.33Å; A8-Y11 WeakPolarHBondContact O-CB 3.33Å; A8-Y11 PolarHBondContact O-N 3.47Å; A8-Y11 VanDerWaalsContact O-N 3.14Å; L9-Y11 VanDerWaalsContact C-N 3.33Å; Y11-S13 VanDerWaalsContact C-N 3.34Å; Y11-S13 PolarHBondContact O-N 3.35Å; Y11-T14 PolarHBondContact O-N 2.78Å |
| 12 | F | 30.1 | Very low | 31.3 | Very low | 129 Ų | 129 | 104.4 Ų | 104.4 | 57% | 0.566 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.2 | -22.2 | -179.3 | -65.2 | -65.8 | 0 | 0 | 0 | 114.8 | A8 L9 T14 S15 | A8-F12 WeakPolarHBondContact O-CD2 3.29Å; A8-F12 PolarHBondContact O-N 2.98Å; L9-F12 HydrophobicContact CD2-CB 4.33Å; L9-F12 CarbonylContact O-C 3.57Å; L9-F12 PolarHBondContact O-N 2.91Å; F12-T14 PolarHBondContact O-N 2.95Å; F12-T14 VanDerWaalsContact O-N 3.09Å; F12-S15 WeakPolarHBondContact O-CB 3.24Å; F12-S15 PolarHBondContact O-N 2.72Å; F12-S15 PolarHBondContact O-OG 2.94Å |
| 13 | S | 27.8 | Very low | 32.7 | Very low | 95 Ų | 95 | 109.6 Ų | 109.6 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -11.1 | 179.5 | 68.8 | 0 | 0 | 0 | 0 | 113.6 | L9 S10 Y11 S15 | L9-S13 WeakPolarHBondContact O-CA 3.34Å; L9-S13 WeakPolarHBondContact O-CB 3.19Å; L9-S13 PolarHBondContact O-N 2.8Å; L9-S13 PolarHBondContact O-OG 2.74Å; S10-S13 PolarHBondContact O-OG 3.08Å; Y11-S13 VanDerWaalsContact C-N 3.34Å; Y11-S13 PolarHBondContact O-N 3.35Å; S13-S15 VanDerWaalsContact C-N 3.32Å |
| 14 | T | 29.3 | Very low | 34.5 | Very low | 90 Ų | 90 | 107.2 Ų | 107.2 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -5.5 | 170.8 | -39.4 | 0 | 0 | 0 | 0 | 112.4 | Y11 F12 N16 T17 | Y11-T14 PolarHBondContact O-N 2.78Å; F12-T14 PolarHBondContact O-N 2.95Å; F12-T14 VanDerWaalsContact O-N 3.09Å; T14-N16 PolarHBondContact O-N 3.49Å; T14-T17 PolarHBondContact O-N 3.13Å; T14-T17 PolarHBondContact O-OG1 3.01Å; T14-T17 VanDerWaalsContact O-OG1 3.05Å |
| 15 | S | 26.2 | Very low | 36.2 | Very low | 82 Ų | 82 | 105.5 Ų | 105.5 | 57% | 0.573 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 41.6 | -173.2 | 85 | 0 | 0 | 0 | 0 | 115.4 | F12 S13 | F12-S15 WeakPolarHBondContact O-CB 3.24Å; F12-S15 PolarHBondContact O-N 2.72Å; F12-S15 PolarHBondContact O-OG 2.94Å; S13-S15 VanDerWaalsContact C-N 3.32Å |
| 16 | N | 28.5 | Very low | 38.3 | Very low | 159 Ų | 159 | 102.7 Ų | 102.7 | 85% | 0.85 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 1.6 | 152.3 | -126.8 | -6.2 | 0 | 0 | 0 | 111.5 | T14 | T14-N16 PolarHBondContact O-N 3.49Š|
| 17 | T | 30.5 | Very low | 40.6 | Very low | 87 Ų | 87 | 98.8 Ų | 98.8 | 53% | 0.534 | 55% | 0.549 | S | S | . | . | trans | -101.1 | 57.5 | 172.8 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | T14 K19 | T14-T17 PolarHBondContact O-N 3.13Å; T14-T17 PolarHBondContact O-OG1 3.01Å; T14-T17 VanDerWaalsContact O-OG1 3.05Å; T17-K19 PolarHBondContact O-N 2.95Å | ||
| 18 | T | 28.5 | Very low | 43.2 | Very low | 128 Ų | 128 | 98.4 Ų | 98.4 | 79% | 0.785 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 39.5 | 166.8 | 47.7 | 0 | 0 | 0 | 0 | 113 | ||
| 19 | K | 30.5 | Very low | 46 | Very low | 187 Ų | 187 | 98.1 Ų | 98.1 | 81% | 0.813 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.3 | -2.3 | -172.8 | -83.7 | -158.9 | 170.8 | -171.8 | 0 | 116.6 | T17 | T17-K19 PolarHBondContact O-N 2.95Š|
| 20 | N | 30.9 | Very low | 48.8 | Very low | 141 Ų | 141 | 97.4 Ų | 97.4 | 75% | 0.754 | 54% | 0.543 | S | S | * | . | trans | -106.7 | 85.9 | 167.4 | -78.9 | 23.3 | 0 | 0 | 0 | 108.9 | N22 | N20-N22 PolarHBondContact O-N 3.27Å; N20-N22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | E | 36.4 | Very low | 51.6 | Low | 179 Ų | 179 | 93.8 Ų | 93.8 | 84% | 0.836 | 52% | 0.518 | S | S | * | . | trans | -67.8 | 105.5 | 172.4 | -64.7 | -176.9 | 149.6 | 0 | 0 | 109.3 | ||||
| 22 | N | 54.5 | Low | 54 | Low | 59 Ų | 59 | 90 Ų | 90 | 32% | 0.316 | 52% | 0.518 | S | S | . | . | trans | 26 | 93.1 | 170 | -74.9 | -78.6 | 0 | 0 | 0 | 116 | N20 F24 L25 Y51 | N20-N22 PolarHBondContact O-N 3.27Å; N20-N22 VanDerWaalsContact O-N 3.1Å; N22-F24 PolarHBondContact O-N 2.66Å; N22-L25 HydrophobicContact CB-CB 4.43Å; N22-L25 HydrophobicContact CB-CD1 3.7Å; N22-L25 HydrophobicContact CB-CG 3.57Å; N22-L25 PolarHBondContact O-N 2.83Å; N22-Y51 PolarHBondContact OD1-OH 3.34Å | ||
| 23 | E | 57.1 | Low | 56.7 | Low | 140 Ų | 140 | 91.8 Ų | 91.8 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -18.3 | -179.1 | -171.8 | 172.9 | -166.6 | 0 | 0 | 115.8 | M108 | E23-M108 HydrophobicContact CG-CE 4.39Š|
| 24 | F | 66.3 | Low | 59.6 | Low | 14 Ų | 14 | 88.7 Ų | 88.7 | 6% | 0.061 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -13.8 | 176.3 | -88.9 | -122.2 | 0 | 0 | 0 | 115 | N22 G26 S27 I29 V38 R66 M108 E114 | N22-F24 PolarHBondContact O-N 2.66Å; F24-G26 PolarHBondContact O-N 2.98Å; F24-S27 VanDerWaalsContact O-CB 3.24Å; F24-S27 WeakPolarHBondContact O-CB 3.29Å; F24-S27 PolarHBondContact O-N 3.29Å; F24-S27 PolarHBondContact O-OG 2.87Å; F24-I29 HydrophobicContact CD1-CD1 4.1Å; F24-I29 HydrophobicContact CD1-CG2 4.47Å; F24-I29 HydrophobicContact CE1-CD1 4.04Å; F24-I29 HydrophobicContact CE1-CG2 3.96Å; F24-V38 HydrophobicContact CB-CG2 4.49Å; F24-V38 HydrophobicContact CD1-CG2 4.32Å; F24-V38 WeakPolarHBondContact O-CB 3.27Å; F24-R66 VanDerWaalsContact CE2-CZ 3.45Å; F24-R66 VanDerWaalsContact CE2-NH2 3.33Å; F24-M108 HydrophobicContact CE2-CE 4.03Å; F24-M108 HydrophobicContact CE2-SD 4.21Å; F24-E114 WeakPolarHBondContact CZ-OE1 3.41Å |
| 25 | L | 68.8 | Low | 62.6 | Low | 74 Ų | 74 | 86.1 Ų | 86.1 | 39% | 0.387 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 126.7 | -175.7 | -70.5 | -178.3 | 0 | 0 | 0 | 111.9 | N22 S27 V38 R40 Y51 | N22-L25 HydrophobicContact CB-CB 4.43Å; N22-L25 HydrophobicContact CB-CD1 3.7Å; N22-L25 HydrophobicContact CB-CG 3.57Å; N22-L25 PolarHBondContact O-N 2.83Å; L25-S27 PolarHBondContact O-N 3.17Å; L25-V38 HydrophobicContact CD2-CG1 4.17Å; L25-R40 VanDerWaalsContact CD2-CA 3.49Å; L25-Y51 HydrophobicContact CD2-CD1 4.18Å; L25-Y51 HydrophobicContact CD2-CE1 4.39Å |
| 26 | G | 74.8 | Confident | 65.8 | Low | 43 Ų | 43 | 82.2 Ų | 82.2 | 44% | 0.443 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F24 K37 V38 | F24-G26 PolarHBondContact O-N 2.98Å; G26-K37 WeakPolarHBondContact O-CE 3.39Å; G26-V38 WeakPolarHBondContact CA-O 3.39Å; G26-V38 PolarHBondContact N-O 2.94Å |
| 27 | S | 80.6 | Confident | 68.9 | Low | 37 Ų | 37 | 79.7 Ų | 79.7 | 26% | 0.259 | 44% | 0.444 | S | S | . | . | trans | -68 | 158.8 | 175.9 | 90.7 | 0 | 0 | 0 | 0 | 111 | F24 L25 K37 V38 | F24-S27 VanDerWaalsContact O-CB 3.24Å; F24-S27 WeakPolarHBondContact O-CB 3.29Å; F24-S27 PolarHBondContact O-N 3.29Å; F24-S27 PolarHBondContact O-OG 2.87Å; L25-S27 PolarHBondContact O-N 3.17Å; S27-K37 WeakPolarHBondContact O-CA 3.49Å; S27-V38 PolarHBondContact O-N 3.44Å | ||
| 28 | S | 84.7 | Confident | 71.8 | Confident | 76 Ų | 76 | 75.6 Ų | 75.6 | 53% | 0.531 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.7 | 174.6 | -55.6 | 0 | 0 | 0 | 0 | 109.1 | L36 | S28-L36 CarbonylContact C-O 3.34Å; S28-L36 WeakPolarHBondContact CA-O 3.39Å |
| 29 | I | 88.2 | Confident | 74.8 | Confident | 31 Ų | 31 | 76.2 Ų | 76.2 | 16% | 0.159 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 137.8 | -170.5 | 39.6 | 165.2 | 0 | 0 | 0 | 110 | F24 L36 V38 L64 L116 | F24-I29 HydrophobicContact CD1-CD1 4.1Å; F24-I29 HydrophobicContact CD1-CG2 4.47Å; F24-I29 HydrophobicContact CE1-CD1 4.04Å; F24-I29 HydrophobicContact CE1-CG2 3.96Å; I29-L36 HydrophobicContact CG1-CB 4.46Å; I29-L36 WeakPolarHBondContact CG1-O 3.31Å; I29-L36 PolarHBondContact N-O 3.44Å; I29-L36 PolarHBondContact O-N 3.03Å; I29-V38 HydrophobicContact CD1-CG2 3.83Å; I29-V38 HydrophobicContact CG1-CG2 4.15Å; I29-L64 HydrophobicContact CD1-CD1 4.44Å; I29-L64 HydrophobicContact CD1-CD2 3.54Å; I29-L116 HydrophobicContact CD1-CD1 4.28Å |
| 30 | S | 87.4 | Confident | 77.7 | Confident | 88 Ų | 88 | 73 Ų | 73 | 62% | 0.615 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.5 | 173.2 | -52 | 0 | 0 | 0 | 0 | 109.9 | L34 | S30-L34 CarbonylContact C-O 3.55Å; S30-L34 VanDerWaalsContact CA-O 3.29Å; S30-L34 WeakPolarHBondContact CA-O 3.35Å |
| 31 | V | 88.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 105.2 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | Q33 L34 L64 S99 A101 L116 V118 | V31-Q33 PolarHBondContact O-N 3.34Å; V31-L34 PolarHBondContact N-O 3.46Å; V31-L34 PolarHBondContact O-N 3.47Å; V31-L64 HydrophobicContact CG2-CD1 4.45Å; V31-S99 PolarHBondContact O-OG 2.98Å; V31-A101 HydrophobicContact CG1-CB 3.88Å; V31-L116 HydrophobicContact CG1-CB 4.47Å; V31-L116 HydrophobicContact CG2-CB 4.22Å; V31-L116 HydrophobicContact CG2-CD1 3.94Å; V31-V118 HydrophobicContact CB-CG2 3.91Å; V31-V118 HydrophobicContact CG1-CG2 3.79Å; V31-V118 HydrophobicContact CG2-CG2 4.24Å |
| 32 | G | 84.7 | Confident | 83 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 52% | 0.515 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -122.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 33 | Q | 85.8 | Confident | 84.4 | Confident | 167 Ų | 167 | 62.2 Ų | 62.2 | 78% | 0.78 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -14.7 | 178.7 | -63.6 | 178.9 | -6.5 | 0 | 0 | 113.8 | V31 | V31-Q33 PolarHBondContact O-N 3.34Š|
| 34 | L | 90.2 | Very high | 85.4 | Confident | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 141 | -178.8 | -68 | 172.5 | 0 | 0 | 0 | 110.9 | S30 V31 L36 Y62 F98 V118 | S30-L34 CarbonylContact C-O 3.55Å; S30-L34 VanDerWaalsContact CA-O 3.29Å; S30-L34 WeakPolarHBondContact CA-O 3.35Å; V31-L34 PolarHBondContact N-O 3.46Å; V31-L34 PolarHBondContact O-N 3.47Å; L34-L36 HydrophobicContact CB-CD1 4.47Å; L34-L36 HydrophobicContact CB-CD2 4.13Å; L34-L36 HydrophobicContact CB-CG 4.08Å; L34-Y62 HydrophobicContact CD1-CD1 4.47Å; L34-Y62 HydrophobicContact CD1-CE1 4.16Å; L34-Y62 HydrophobicContact CD2-CE2 4.5Å; L34-F98 HydrophobicContact CD1-CB 3.98Å; L34-V118 HydrophobicContact CD1-CG1 3.87Å |
| 35 | S | 91.9 | Very high | 85.5 | Confident | 36 Ų | 36 | 63.7 Ų | 63.7 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 102.4 | 176.7 | -159.7 | 0 | 0 | 0 | 0 | 108.4 | D55 V56 | S35-D55 PolarHBondContact N-OD2 3.4Å; S35-D55 CarbonylContact O-C 3.59Å; S35-D55 WeakPolarHBondContact O-CA 3.48Å; S35-V56 WeakPolarHBondContact O-CG2 3.4Å; S35-V56 PolarHBondContact O-N 3.47Å |
| 36 | L | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.1 | -163.1 | -60.3 | 177.7 | 0 | 0 | 0 | 111.7 | S28 I29 L34 A53 Q54 D55 Y62 V118 | S28-L36 CarbonylContact C-O 3.34Å; S28-L36 WeakPolarHBondContact CA-O 3.39Å; I29-L36 HydrophobicContact CG1-CB 4.46Å; I29-L36 WeakPolarHBondContact CG1-O 3.31Å; I29-L36 PolarHBondContact N-O 3.44Å; I29-L36 PolarHBondContact O-N 3.03Å; L34-L36 HydrophobicContact CB-CD1 4.47Å; L34-L36 HydrophobicContact CB-CD2 4.13Å; L34-L36 HydrophobicContact CB-CG 4.08Å; L36-A53 HydrophobicContact CB-CB 4.12Å; L36-Q54 CarbonylContact C-O 3.29Å; L36-Q54 WeakPolarHBondContact CA-O 3.41Å; L36-D55 HydrophobicContact CD2-CB 4.07Å; L36-Y62 HydrophobicContact CD2-CD2 3.72Å; L36-Y62 HydrophobicContact CD2-CE2 4.26Å; L36-Y62 HydrophobicContact CD2-CG 4.3Å; L36-V118 HydrophobicContact CD1-CG1 3.96Å; L36-V118 HydrophobicContact CD1-CG2 3.71Å |
| 37 | K | 92.9 | Very high | 85.2 | Confident | 107 Ų | 107 | 67.1 Ų | 67.1 | 47% | 0.465 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.3 | 170.5 | -174.8 | 169.8 | -174.3 | 170.3 | 0 | 110.7 | G26 S27 R39 A53 Q54 V56 | G26-K37 WeakPolarHBondContact O-CE 3.39Å; S27-K37 WeakPolarHBondContact O-CA 3.49Å; K37-R39 PolarHBondContact O-N 3.05Å; K37-A53 CarbonylContact O-C 3.53Å; K37-A53 WeakPolarHBondContact O-CA 3.26Å; K37-Q54 PolarHBondContact N-O 2.82Å; K37-Q54 PolarHBondContact O-N 3.12Å; K37-V56 HydrophobicContact CB-CG2 3.99Å |
| 38 | V | 92.2 | Very high | 85.3 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.6 | -175.5 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | F24 L25 G26 S27 I29 Y51 A53 L64 | F24-V38 HydrophobicContact CB-CG2 4.49Å; F24-V38 HydrophobicContact CD1-CG2 4.32Å; F24-V38 WeakPolarHBondContact O-CB 3.27Å; L25-V38 HydrophobicContact CD2-CG1 4.17Å; G26-V38 WeakPolarHBondContact CA-O 3.39Å; G26-V38 PolarHBondContact N-O 2.94Å; S27-V38 PolarHBondContact O-N 3.44Å; I29-V38 HydrophobicContact CD1-CG2 3.83Å; I29-V38 HydrophobicContact CG1-CG2 4.15Å; V38-Y51 HydrophobicContact CG1-CD1 3.66Å; V38-Y51 HydrophobicContact CG1-CE1 4.48Å; V38-Y51 HydrophobicContact CG1-CG 3.73Å; V38-A53 HydrophobicContact CG2-CB 4.43Å; V38-L64 HydrophobicContact CG2-CD2 4.02Å |
| 39 | R | 90.4 | Very high | 85.5 | Confident | 141 Ų | 141 | 63.7 Ų | 63.7 | 53% | 0.532 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -51.8 | -176.1 | -78.4 | -178.2 | 159 | -119.9 | -1 | 113.6 | K37 E52 Q54 | K37-R39 PolarHBondContact O-N 3.05Å; R39-E52 WeakPolarHBondContact CB-O 3.31Å; R39-E52 PolarHBondContact N-O 3.27Å; R39-Q54 HydrophobicContact CG-CB 4.45Å |
| 40 | R | 91.2 | Very high | 85.7 | Confident | 118 Ų | 118 | 63.9 Ų | 63.9 | 45% | 0.445 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 159.1 | -174 | 59.6 | 175.7 | 178.1 | 119.7 | 5.3 | 111.7 | L25 I42 Y51 E52 | L25-R40 VanDerWaalsContact CD2-CA 3.49Å; R40-I42 HydrophobicContact CG-CG2 4.17Å; R40-Y51 CarbonylContact O-C 3.55Å; R40-Y51 WeakPolarHBondContact O-CA 3.46Å; R40-Y51 WeakPolarHBondContact O-CB 3.45Å; R40-E52 HydrophobicContact CG-CB 3.99Å; R40-E52 IonicContact CZ-OE2 2.7Å; R40-E52 PolarHBondContact N-O 3.48Å; R40-E52 IonicContact NE-OE2 3.51Å; R40-E52 PolarHBondContact NE-OE2 3.23Å; R40-E52 IonicContact NH2-OE2 3.24Å; R40-E52 PolarHBondContact NH2-OE2 2.92Å; R40-E52 PolarHBondContact O-N 2.74Å |
| 41 | V | 89.5 | Confident | 86 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 140.8 | 162 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | I49 Y51 | V41-I49 HydrophobicContact CG1-CG2 3.9Å; V41-I49 HydrophobicContact CG2-CG2 4.05Å; V41-Y51 HydrophobicContact CB-CD1 4.48Å; V41-Y51 HydrophobicContact CG2-CD1 3.78Å; V41-Y51 HydrophobicContact CG2-CE1 3.53Å |
| 42 | I | 88.7 | Confident | 86.3 | Confident | 61 Ų | 61 | 60.6 Ų | 60.6 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -27 | 172.9 | 59.8 | 174.8 | 0 | 0 | 0 | 113.2 | R40 V50 E52 A63 F121 | R40-I42 HydrophobicContact CG-CG2 4.17Å; I42-V50 HydrophobicContact CD1-CG1 3.89Å; I42-V50 HydrophobicContact CG1-CB 4.06Å; I42-V50 HydrophobicContact CG1-CG1 3.87Å; I42-V50 VanDerWaalsContact CG1-O 3.32Å; I42-V50 WeakPolarHBondContact CG1-O 3.27Å; I42-V50 PolarHBondContact N-O 3.46Å; I42-E52 HydrophobicContact CG2-CB 3.72Å; I42-A63 HydrophobicContact CD1-CB 4.31Å; I42-F121 HydrophobicContact CD1-CD2 3.86Å; I42-F121 HydrophobicContact CD1-CE2 3.66Å; I42-F121 HydrophobicContact CG2-CE2 4.23Å |
| 43 | A | 83.7 | Confident | 86.8 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 155.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V50 | A43-V50 HydrophobicContact CB-CB 4.16Å; A43-V50 HydrophobicContact CB-CG2 4.23Å; A43-V50 PolarHBondContact N-O 3.02Å; A43-V50 VanDerWaalsContact N-O 3.15Å; A43-V50 PolarHBondContact O-N 3.45Å |
| 44 | E | 79.5 | Confident | 87.2 | Confident | 136 Ų | 136 | 51.5 Ų | 51.5 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 132.8 | 172.9 | 177 | 167.1 | -145.4 | 0 | 0 | 107.5 | I49 | E44-I49 HydrophobicContact CG-CG1 4.22Å |
| 45 | G | 67.2 | Low | 87.3 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 50% | 0.495 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 172.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y47 G48 | G45-Y47 PolarHBondContact O-N 3.12Å; G45-G48 PolarHBondContact N-O 2.98Å; G45-G48 PolarHBondContact O-N 3.11Å; G45-G48 VanDerWaalsContact O-O 3.06Å |
| 46 | G | 65.1 | Low | 87.1 | Confident | 86 Ų | 86 | 52.9 Ų | 52.9 | 89% | 0.887 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -12.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 47 | Y | 73 | Confident | 86.7 | Confident | 104 Ų | 104 | 59.2 Ų | 59.2 | 41% | 0.408 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -6.9 | 179.8 | -53.2 | -76.6 | 0 | 0 | 0 | 113.9 | G45 M67 | G45-Y47 PolarHBondContact O-N 3.12Å; Y47-M67 WeakPolarHBondContact O-CE 3.49Å |
| 48 | G | 83.3 | Confident | 86.2 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.7 | -178.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G45 R66 | G45-G48 PolarHBondContact N-O 2.98Å; G45-G48 PolarHBondContact O-N 3.11Å; G45-G48 VanDerWaalsContact O-O 3.06Å; G48-R66 CarbonylContact C-O 3.32Å; G48-R66 WeakPolarHBondContact CA-O 3.35Å |
| 49 | I | 88.5 | Confident | 85.8 | Confident | 24 Ų | 24 | 66 Ų | 66 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.2 | 177.2 | -55 | 174.3 | 0 | 0 | 0 | 108.4 | V41 E44 Y51 R66 | V41-I49 HydrophobicContact CG1-CG2 3.9Å; V41-I49 HydrophobicContact CG2-CG2 4.05Å; E44-I49 HydrophobicContact CG-CG1 4.22Å; I49-Y51 HydrophobicContact CB-CE2 3.92Å; I49-Y51 HydrophobicContact CG2-CD1 4.47Å; I49-Y51 HydrophobicContact CG2-CD2 4.22Å; I49-Y51 HydrophobicContact CG2-CE1 3.96Å; I49-Y51 HydrophobicContact CG2-CE2 3.68Å; I49-R66 PolarHBondContact N-O 2.82Å; I49-R66 PolarHBondContact O-N 3.14Å |
| 50 | V | 92.5 | Very high | 85.9 | Confident | 35 Ų | 35 | 63.2 Ų | 63.2 | 21% | 0.212 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.6 | 173.7 | -164.1 | 0 | 0 | 0 | 0 | 109.3 | I42 A43 A63 L64 K65 | I42-V50 HydrophobicContact CD1-CG1 3.89Å; I42-V50 HydrophobicContact CG1-CB 4.06Å; I42-V50 HydrophobicContact CG1-CG1 3.87Å; I42-V50 VanDerWaalsContact CG1-O 3.32Å; I42-V50 WeakPolarHBondContact CG1-O 3.27Å; I42-V50 PolarHBondContact N-O 3.46Å; A43-V50 HydrophobicContact CB-CB 4.16Å; A43-V50 HydrophobicContact CB-CG2 4.23Å; A43-V50 PolarHBondContact N-O 3.02Å; A43-V50 VanDerWaalsContact N-O 3.15Å; A43-V50 PolarHBondContact O-N 3.45Å; V50-A63 HydrophobicContact CG1-CB 4.32Å; V50-L64 CarbonylContact C-O 3.54Å; V50-L64 WeakPolarHBondContact CA-O 3.45Å; V50-K65 HydrophobicContact CG2-CB 4.37Å; V50-K65 HydrophobicContact CG2-CG 4.26Å |
| 51 | Y | 93.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 151 | 176.6 | -55.5 | -92.7 | 0 | 0 | 0 | 111.2 | N22 L25 V38 R40 V41 I49 L64 R66 | N22-Y51 PolarHBondContact OD1-OH 3.34Å; L25-Y51 HydrophobicContact CD2-CD1 4.18Å; L25-Y51 HydrophobicContact CD2-CE1 4.39Å; V38-Y51 HydrophobicContact CG1-CD1 3.66Å; V38-Y51 HydrophobicContact CG1-CE1 4.48Å; V38-Y51 HydrophobicContact CG1-CG 3.73Å; R40-Y51 CarbonylContact O-C 3.55Å; R40-Y51 WeakPolarHBondContact O-CA 3.46Å; R40-Y51 WeakPolarHBondContact O-CB 3.45Å; V41-Y51 HydrophobicContact CB-CD1 4.48Å; V41-Y51 HydrophobicContact CG2-CD1 3.78Å; V41-Y51 HydrophobicContact CG2-CE1 3.53Å; I49-Y51 HydrophobicContact CB-CE2 3.92Å; I49-Y51 HydrophobicContact CG2-CD1 4.47Å; I49-Y51 HydrophobicContact CG2-CD2 4.22Å; I49-Y51 HydrophobicContact CG2-CE1 3.96Å; I49-Y51 HydrophobicContact CG2-CE2 3.68Å; Y51-L64 HydrophobicContact CD2-CD2 4.35Å; Y51-L64 PolarHBondContact N-O 3.18Å; Y51-L64 PolarHBondContact O-N 2.91Å; Y51-R66 HydrophobicContact CD2-CB 4.41Å; Y51-R66 HydrophobicContact CE2-CB 3.92Å |
| 52 | E | 95.1 | Very high | 86.4 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 124.4 | 153.8 | -177.1 | -175.7 | 167.2 | 0 | 0 | 107.2 | R39 R40 I42 S61 F121 | R39-E52 WeakPolarHBondContact CB-O 3.31Å; R39-E52 PolarHBondContact N-O 3.27Å; R40-E52 HydrophobicContact CG-CB 3.99Å; R40-E52 IonicContact CZ-OE2 2.7Å; R40-E52 PolarHBondContact N-O 3.48Å; R40-E52 IonicContact NE-OE2 3.51Å; R40-E52 PolarHBondContact NE-OE2 3.23Å; R40-E52 IonicContact NH2-OE2 3.24Å; R40-E52 PolarHBondContact NH2-OE2 2.92Å; R40-E52 PolarHBondContact O-N 2.74Å; I42-E52 HydrophobicContact CG2-CB 3.72Å; E52-S61 WeakPolarHBondContact OE1-CB 3.24Å; E52-S61 PolarHBondContact OE1-OG 3.08Å; E52-F121 HydrophobicContact CB-CE2 4.48Å; E52-F121 HydrophobicContact CG-CD1 4.27Å; E52-F121 HydrophobicContact CG-CD2 4.48Å; E52-F121 HydrophobicContact CG-CE1 4.24Å; E52-F121 HydrophobicContact CG-CE2 4.48Å; E52-F121 HydrophobicContact CG-CG 4.41Å; E52-F121 HydrophobicContact CG-CZ 4.38Å |
| 53 | A | 94.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | L36 K37 V38 S61 Y62 L64 | L36-A53 HydrophobicContact CB-CB 4.12Å; K37-A53 CarbonylContact O-C 3.53Å; K37-A53 WeakPolarHBondContact O-CA 3.26Å; V38-A53 HydrophobicContact CG2-CB 4.43Å; A53-S61 CarbonylContact O-C 3.59Å; A53-S61 WeakPolarHBondContact O-CA 3.34Å; A53-Y62 PolarHBondContact N-O 2.91Å; A53-Y62 PolarHBondContact O-N 2.8Å; A53-Y62 VanDerWaalsContact O-O 3.12Å; A53-L64 HydrophobicContact CB-CB 4.27Å; A53-L64 HydrophobicContact CB-CD2 4.47Å |
| 54 | Q | 94.1 | Very high | 87.3 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.6 | -179.8 | -163.1 | -179 | 20.9 | 0 | 0 | 109.2 | L36 K37 R39 N59 I60 | L36-Q54 CarbonylContact C-O 3.29Å; L36-Q54 WeakPolarHBondContact CA-O 3.41Å; K37-Q54 PolarHBondContact N-O 2.82Å; K37-Q54 PolarHBondContact O-N 3.12Å; R39-Q54 HydrophobicContact CG-CB 4.45Å; Q54-N59 PolarHBondContact NE2-O 3.42Å; Q54-N59 PolarHBondContact NE2-OD1 2.95Å; Q54-I60 WeakPolarHBondContact CA-O 3.47Å; Q54-I60 VanDerWaalsContact CG-O 3.31Å; Q54-I60 WeakPolarHBondContact CG-O 3.38Å |
| 55 | D | 92.9 | Very high | 88 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.064 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 148.9 | 172.8 | -166.8 | -76.9 | 0 | 0 | 0 | 110.5 | S35 L36 N57 E58 I60 Y62 | S35-D55 PolarHBondContact N-OD2 3.4Å; S35-D55 CarbonylContact O-C 3.59Å; S35-D55 WeakPolarHBondContact O-CA 3.48Å; L36-D55 HydrophobicContact CD2-CB 4.07Å; D55-N57 WeakPolarHBondContact OD1-CA 3.38Å; D55-N57 WeakPolarHBondContact OD1-CB 3.43Å; D55-N57 PolarHBondContact OD1-N 2.79Å; D55-N57 PolarHBondContact OD1-ND2 3.27Å; D55-E58 CarbonylContact C-O 3.59Å; D55-E58 HydrophobicContact CB-CB 4.27Å; D55-E58 WeakPolarHBondContact CB-O 3.43Å; D55-E58 PolarHBondContact OD1-N 2.75Å; D55-I60 PolarHBondContact N-O 3.29Å; D55-Y62 HydrophobicContact CB-CE2 4Å |
| 56 | V | 87.3 | Confident | 89.2 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -84.4 | -25.7 | -176.5 | 175 | 0 | 0 | 0 | 0 | 111.4 | S35 K37 | S35-V56 WeakPolarHBondContact O-CG2 3.4Å; S35-V56 PolarHBondContact O-N 3.47Å; K37-V56 HydrophobicContact CB-CG2 3.99Å |
| 57 | N | 86.2 | Confident | 90.4 | Very high | 133 Ų | 133 | 43 Ų | 43 | 71% | 0.711 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -95 | -42.5 | 177.3 | -40.9 | -73.8 | 0 | 0 | 0 | 110.7 | D55 | D55-N57 WeakPolarHBondContact OD1-CA 3.38Å; D55-N57 WeakPolarHBondContact OD1-CB 3.43Å; D55-N57 PolarHBondContact OD1-N 2.79Å; D55-N57 PolarHBondContact OD1-ND2 3.27Å |
| 58 | E | 81.5 | Confident | 91.1 | Very high | 107 Ų | 107 | 39.9 Ų | 39.9 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -107.2 | 135.9 | -180 | -60.6 | -170.6 | 171.3 | 0 | 0 | 111.2 | D55 I60 | D55-E58 CarbonylContact C-O 3.59Å; D55-E58 HydrophobicContact CB-CB 4.27Å; D55-E58 WeakPolarHBondContact CB-O 3.43Å; D55-E58 PolarHBondContact OD1-N 2.75Å; E58-I60 HydrophobicContact CB-CD1 4.35Å; E58-I60 HydrophobicContact CB-CG1 4.21Å; E58-I60 PolarHBondContact O-N 3.01Å; E58-I60 WeakPolarHBondContact OE2-CD1 3.38Å |
| 59 | N | 84.5 | Confident | 91.2 | Very high | 143 Ų | 143 | 39.2 Ų | 39.2 | 77% | 0.765 | 21% | 0.206 | S | C | * | . | trans | -73.5 | 22.6 | -175.9 | -162.8 | 45.7 | 0 | 0 | 0 | 113.8 | Q54 | Q54-N59 PolarHBondContact NE2-O 3.42Å; Q54-N59 PolarHBondContact NE2-OD1 2.95Å | ||
| 60 | I | 92.2 | Very high | 90.9 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | trans | -89.5 | 133.4 | -173.9 | -59.2 | -178.8 | 0 | 0 | 0 | 110.6 | Q54 D55 E58 Y62 | Q54-I60 WeakPolarHBondContact CA-O 3.47Å; Q54-I60 VanDerWaalsContact CG-O 3.31Å; Q54-I60 WeakPolarHBondContact CG-O 3.38Å; D55-I60 PolarHBondContact N-O 3.29Å; E58-I60 HydrophobicContact CB-CD1 4.35Å; E58-I60 HydrophobicContact CB-CG1 4.21Å; E58-I60 PolarHBondContact O-N 3.01Å; E58-I60 WeakPolarHBondContact OE2-CD1 3.38Å; I60-Y62 HydrophobicContact CB-CE2 3.98Å; I60-Y62 HydrophobicContact CG2-CD2 4.26Å; I60-Y62 HydrophobicContact CG2-CE2 3.71Å | ||
| 61 | S | 94.5 | Very high | 90.5 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 139.4 | 170.8 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | E52 A53 F121 | E52-S61 WeakPolarHBondContact OE1-CB 3.24Å; E52-S61 PolarHBondContact OE1-OG 3.08Å; A53-S61 CarbonylContact O-C 3.59Å; A53-S61 WeakPolarHBondContact O-CA 3.34Å; S61-F121 VanDerWaalsContact O-CB 3.28Å; S61-F121 WeakPolarHBondContact O-CB 3.47Å |
| 62 | Y | 96.4 | Very high | 90.1 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 154.3 | 177 | -66.8 | -89.4 | 0 | 0 | 0 | 110.3 | L34 L36 A53 D55 I60 F98 V118 | L34-Y62 HydrophobicContact CD1-CD1 4.47Å; L34-Y62 HydrophobicContact CD1-CE1 4.16Å; L34-Y62 HydrophobicContact CD2-CE2 4.5Å; L36-Y62 HydrophobicContact CD2-CD2 3.72Å; L36-Y62 HydrophobicContact CD2-CE2 4.26Å; L36-Y62 HydrophobicContact CD2-CG 4.3Å; A53-Y62 PolarHBondContact N-O 2.91Å; A53-Y62 PolarHBondContact O-N 2.8Å; A53-Y62 VanDerWaalsContact O-O 3.12Å; D55-Y62 HydrophobicContact CB-CE2 4Å; I60-Y62 HydrophobicContact CB-CE2 3.98Å; I60-Y62 HydrophobicContact CG2-CD2 4.26Å; I60-Y62 HydrophobicContact CG2-CE2 3.71Å; Y62-F98 AromaticContact CD1-CD2 3.98Å; Y62-F98 HydrophobicContact CD1-CD2 3.98Å; Y62-F98 HydrophobicContact CD1-CE2 4.14Å; Y62-F98 HydrophobicContact CD1-CG 4.21Å; Y62-F98 AromaticContact CE1-CD1 3.75Å; Y62-F98 HydrophobicContact CE1-CD1 3.75Å; Y62-F98 AromaticContact CE1-CD2 3.85Å; Y62-F98 HydrophobicContact CE1-CD2 3.85Å; Y62-F98 AromaticContact CE1-CE1 3.76Å; Y62-F98 HydrophobicContact CE1-CE1 3.76Å; Y62-F98 AromaticContact CE1-CE2 3.85Å; Y62-F98 HydrophobicContact CE1-CE2 3.85Å; Y62-F98 AromaticContact CE1-CG 3.79Å; Y62-F98 HydrophobicContact CE1-CG 3.79Å; Y62-F98 AromaticContact CE1-CZ 3.8Å; Y62-F98 HydrophobicContact CE1-CZ 3.8Å; Y62-V118 HydrophobicContact CD1-CG1 3.84Å; Y62-V118 HydrophobicContact CG-CG1 4.06Å |
| 63 | A | 96.2 | Very high | 89.6 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 130.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I42 V50 V118 T119 | I42-A63 HydrophobicContact CD1-CB 4.31Å; V50-A63 HydrophobicContact CG1-CB 4.32Å; A63-V118 WeakPolarHBondContact O-CA 3.36Å; A63-T119 PolarHBondContact N-O 3.1Å; A63-T119 PolarHBondContact O-N 2.93Å |
| 64 | L | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 101.9 | -178.3 | 178 | 77.1 | 0 | 0 | 0 | 109.6 | I29 V31 V38 V50 Y51 A53 L116 I117 V118 | I29-L64 HydrophobicContact CD1-CD1 4.44Å; I29-L64 HydrophobicContact CD1-CD2 3.54Å; V31-L64 HydrophobicContact CG2-CD1 4.45Å; V38-L64 HydrophobicContact CG2-CD2 4.02Å; V50-L64 CarbonylContact C-O 3.54Å; V50-L64 WeakPolarHBondContact CA-O 3.45Å; Y51-L64 HydrophobicContact CD2-CD2 4.35Å; Y51-L64 PolarHBondContact N-O 3.18Å; Y51-L64 PolarHBondContact O-N 2.91Å; A53-L64 HydrophobicContact CB-CB 4.27Å; A53-L64 HydrophobicContact CB-CD2 4.47Å; L64-L116 HydrophobicContact CD1-CB 4.16Å; L64-L116 HydrophobicContact CD1-CD2 4.3Å; L64-I117 CarbonylContact C-O 3.46Å; L64-I117 WeakPolarHBondContact CA-O 3.49Å; L64-V118 HydrophobicContact CD1-CG2 3.85Å |
| 65 | K | 94.2 | Very high | 89.1 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115 | 174.1 | -173.3 | 178.8 | -176.6 | -176.7 | 0 | 108.6 | V50 M67 E81 I117 D188 | V50-K65 HydrophobicContact CG2-CB 4.37Å; V50-K65 HydrophobicContact CG2-CG 4.26Å; K65-M67 HydrophobicContact CD-CG 4.49Å; K65-M67 HydrophobicContact CD-SD 3.94Å; K65-M67 VanDerWaalsContact CE-SD 3.59Å; K65-M67 HydrophobicContact CG-CG 3.98Å; K65-M67 HydrophobicContact CG-SD 4.07Å; K65-E81 IonicContact NZ-OE1 2.75Å; K65-E81 PolarHBondContact NZ-OE1 3.37Å; K65-E81 IonicContact NZ-OE2 2.75Å; K65-E81 PolarHBondContact NZ-OE2 2.89Å; K65-I117 HydrophobicContact CB-CB 4.31Å; K65-I117 PolarHBondContact N-O 3.43Å; K65-I117 PolarHBondContact O-N 2.93Å; K65-D188 IonicContact NZ-OD1 3.57Å; K65-D188 PolarHBondContact NZ-OD1 2.9Å |
| 66 | R | 92 | Very high | 89 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.2 | 176.8 | -177 | -177.7 | -171.2 | -148.6 | -2.4 | 109.6 | F24 G48 I49 Y51 E114 F115 L116 | F24-R66 VanDerWaalsContact CE2-CZ 3.45Å; F24-R66 VanDerWaalsContact CE2-NH2 3.33Å; G48-R66 CarbonylContact C-O 3.32Å; G48-R66 WeakPolarHBondContact CA-O 3.35Å; I49-R66 PolarHBondContact N-O 2.82Å; I49-R66 PolarHBondContact O-N 3.14Å; Y51-R66 HydrophobicContact CD2-CB 4.41Å; Y51-R66 HydrophobicContact CE2-CB 3.92Å; R66-E114 HydrophobicContact CG-CG 4.36Å; R66-E114 IonicContact CZ-OE1 2.66Å; R66-E114 IonicContact CZ-OE2 3.22Å; R66-E114 IonicContact NE-OE1 2.84Å; R66-E114 PolarHBondContact NE-OE1 2.95Å; R66-E114 IonicContact NE-OE2 2.74Å; R66-E114 PolarHBondContact NE-OE2 3.35Å; R66-E114 IonicContact NH2-OE1 3.95Å; R66-E114 PolarHBondContact NH2-OE1 3.23Å; R66-E114 IonicContact NH2-OE2 2.68Å; R66-E114 PolarHBondContact NH2-OE2 3.48Å; R66-F115 WeakPolarHBondContact CA-O 3.31Å; R66-L116 HydrophobicContact CB-CD2 3.94Å; R66-L116 HydrophobicContact CG-CD2 3.82Å |
| 67 | M | 90.7 | Very high | 89.2 | Confident | 9 Ų | 9 | 60 Ų | 60 | 4% | 0.044 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.2 | -175.3 | -53.1 | 177.4 | 80.9 | 0 | 0 | 110.1 | Y47 K65 I78 F115 I117 | Y47-M67 WeakPolarHBondContact O-CE 3.49Å; K65-M67 HydrophobicContact CD-CG 4.49Å; K65-M67 HydrophobicContact CD-SD 3.94Å; K65-M67 VanDerWaalsContact CE-SD 3.59Å; K65-M67 HydrophobicContact CG-CG 3.98Å; K65-M67 HydrophobicContact CG-SD 4.07Å; M67-I78 HydrophobicContact CB-CD1 3.82Å; M67-I78 HydrophobicContact CB-CG1 4.43Å; M67-I78 HydrophobicContact CE-CD1 4.36Å; M67-I78 HydrophobicContact CE-CG1 3.83Å; M67-I78 HydrophobicContact SD-CG1 4.11Å; M67-I78 HydrophobicContact SD-CG2 4Å; M67-F115 HydrophobicContact CB-CB 4.43Å; M67-F115 PolarHBondContact N-O 3.24Å; M67-F115 PolarHBondContact O-N 3.09Å; M67-I117 HydrophobicContact SD-CD1 3.98Å |
| 68 | L | 87 | Confident | 89.5 | Confident | 40 Ų | 40 | 54.2 Ų | 54.2 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 111.8 | -178.7 | -80.4 | 166.4 | 0 | 0 | 0 | 110.6 | H70 V110 E114 | L68-H70 PolarHBondContact O-CE1 3.06Å; L68-H70 PolarHBondContact O-ND1 3.06Å; L68-V110 HydrophobicContact CD1-CG1 4.11Å; L68-V110 HydrophobicContact CD2-CG1 3.79Å; L68-E114 HydrophobicContact CD2-CB 3.8Å; L68-E114 HydrophobicContact CD2-CG 4.13Å |
| 69 | A | 85.4 | Confident | 90.2 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | A75 I78 G112 T113 F115 | A69-A75 HydrophobicContact CB-CB 3.72Å; A69-I78 HydrophobicContact CB-CD1 4.21Å; A69-G112 CarbonylContact O-C 3.55Å; A69-G112 WeakPolarHBondContact O-CA 3.45Å; A69-T113 PolarHBondContact N-O 3.33Å; A69-T113 PolarHBondContact O-N 2.74Å; A69-F115 HydrophobicContact CB-CD2 4.18Å; A69-F115 HydrophobicContact CB-CE2 3.77Å |
| 70 | H | 82.9 | Confident | 90.6 | Very high | 135 Ų | 135 | 46 Ų | 46 | 63% | 0.625 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -82.6 | -31.9 | 177.6 | -30.3 | -45.4 | 0 | 0 | 0 | 111.3 | L68 | L68-H70 PolarHBondContact O-CE1 3.06Å; L68-H70 PolarHBondContact O-ND1 3.06Å |
| 71 | D | 83.8 | Confident | 90.7 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 44% | 0.444 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -138.1 | 177.8 | -174.6 | 67.1 | -1.4 | 0 | 0 | 0 | 111.6 | S74 A75 | D71-S74 WeakPolarHBondContact OD1-CB 3.47Å; D71-S74 PolarHBondContact OD1-N 3.35Å; D71-S74 PolarHBondContact OD1-OG 2.86Å; D71-A75 PolarHBondContact O-N 3.15Å |
| 72 | K | 85.1 | Confident | 90.7 | Very high | 150 Ų | 150 | 41.2 Ų | 41.2 | 65% | 0.652 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -66.6 | -46.8 | 178.7 | 175.5 | 165.1 | -179.7 | 174.9 | 0 | 113.1 | S74 A75 D76 | K72-S74 VanDerWaalsContact C-N 3.3Å; K72-S74 PolarHBondContact O-N 3.13Å; K72-A75 WeakPolarHBondContact O-CA 3.24Å; K72-A75 WeakPolarHBondContact O-CB 3.38Å; K72-A75 PolarHBondContact O-N 2.96Å; K72-D76 WeakPolarHBondContact CE-OD2 3.46Å; K72-D76 WeakPolarHBondContact CG-OD2 3.26Å; K72-D76 PolarHBondContact O-N 2.95Å |
| 73 | P | 86 | Confident | 90.7 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -53.7 | -41.4 | 176.1 | -30 | 36.2 | 0 | 0 | 0 | 114.4 | D76 L77 | P73-D76 PolarHBondContact O-N 2.92Å; P73-L77 WeakPolarHBondContact O-CG 3.34Å; P73-L77 PolarHBondContact O-N 3.49Å; P73-L77 VanDerWaalsContact O-N 3.14Å |
| 74 | S | 86.7 | Confident | 90.7 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 20% | 0.203 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67 | -36.9 | 175.9 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | D71 K72 I78 | D71-S74 WeakPolarHBondContact OD1-CB 3.47Å; D71-S74 PolarHBondContact OD1-N 3.35Å; D71-S74 PolarHBondContact OD1-OG 2.86Å; K72-S74 VanDerWaalsContact C-N 3.3Å; K72-S74 PolarHBondContact O-N 3.13Å; S74-I78 WeakPolarHBondContact O-CD1 3.46Å; S74-I78 WeakPolarHBondContact O-CG1 3.4Å; S74-I78 PolarHBondContact O-N 3.26Å |
| 75 | A | 90.5 | Very high | 90.7 | Very high | 17 Ų | 17 | 45.3 Ų | 45.3 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A69 D71 K72 L77 I78 L79 F115 | A69-A75 HydrophobicContact CB-CB 3.72Å; D71-A75 PolarHBondContact O-N 3.15Å; K72-A75 WeakPolarHBondContact O-CA 3.24Å; K72-A75 WeakPolarHBondContact O-CB 3.38Å; K72-A75 PolarHBondContact O-N 2.96Å; A75-L77 VanDerWaalsContact C-N 3.28Å; A75-L77 PolarHBondContact O-N 3.34Å; A75-I78 PolarHBondContact O-N 3.44Å; A75-L79 WeakPolarHBondContact O-CB 3.46Å; A75-L79 PolarHBondContact O-N 3.33Å; A75-F115 HydrophobicContact CB-CE2 3.88Å; A75-F115 HydrophobicContact CB-CZ 3.96Å |
| 76 | D | 91.7 | Very high | 90.8 | Very high | 74 Ų | 74 | 47.6 Ų | 47.6 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.8 | -35.1 | -179.4 | -70.3 | -31.5 | 0 | 0 | 0 | 111.8 | K72 P73 L79 H80 | K72-D76 WeakPolarHBondContact CE-OD2 3.46Å; K72-D76 WeakPolarHBondContact CG-OD2 3.26Å; K72-D76 PolarHBondContact O-N 2.95Å; P73-D76 PolarHBondContact O-N 2.92Å; D76-L79 CarbonylContact O-C 3.56Å; D76-L79 PolarHBondContact O-N 3.34Å; D76-H80 PolarHBondContact O-N 3.22Å |
| 77 | L | 91.2 | Very high | 91 | Very high | 69 Ų | 69 | 49.7 Ų | 49.7 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.9 | -47.4 | 172.9 | -72.8 | 166.6 | 0 | 0 | 0 | 112.8 | P73 A75 L79 H80 E81 F218 | P73-L77 WeakPolarHBondContact O-CG 3.34Å; P73-L77 PolarHBondContact O-N 3.49Å; P73-L77 VanDerWaalsContact O-N 3.14Å; A75-L77 VanDerWaalsContact C-N 3.28Å; A75-L77 PolarHBondContact O-N 3.34Å; L77-L79 PolarHBondContact O-N 3.06Å; L77-H80 WeakPolarHBondContact O-CA 3.38Å; L77-H80 WeakPolarHBondContact O-CB 3.38Å; L77-H80 PolarHBondContact O-N 3.37Å; L77-E81 PolarHBondContact O-N 2.79Å; L77-F218 HydrophobicContact CD1-CE1 4.21Å; L77-F218 HydrophobicContact CD1-CZ 3.8Å; L77-F218 HydrophobicContact CD2-CE1 4.04Å; L77-F218 HydrophobicContact CD2-CZ 3.71Å; L77-F218 HydrophobicContact CG-CZ 4.43Å |
| 78 | I | 92.9 | Very high | 91.3 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 175.5 | -63.7 | 164.3 | 0 | 0 | 0 | 110.2 | M67 A69 S74 A75 H80 E81 V82 F115 I117 | M67-I78 HydrophobicContact CB-CD1 3.82Å; M67-I78 HydrophobicContact CB-CG1 4.43Å; M67-I78 HydrophobicContact CE-CD1 4.36Å; M67-I78 HydrophobicContact CE-CG1 3.83Å; M67-I78 HydrophobicContact SD-CG1 4.11Å; M67-I78 HydrophobicContact SD-CG2 4Å; A69-I78 HydrophobicContact CB-CD1 4.21Å; S74-I78 WeakPolarHBondContact O-CD1 3.46Å; S74-I78 WeakPolarHBondContact O-CG1 3.4Å; S74-I78 PolarHBondContact O-N 3.26Å; A75-I78 PolarHBondContact O-N 3.44Å; I78-H80 PolarHBondContact O-N 3.31Å; I78-E81 PolarHBondContact O-N 3.28Å; I78-V82 WeakPolarHBondContact O-CG2 3.26Å; I78-V82 PolarHBondContact O-N 2.92Å; I78-F115 HydrophobicContact CB-CD2 4.47Å; I78-F115 HydrophobicContact CB-CG 4.5Å; I78-F115 HydrophobicContact CD1-CD2 3.86Å; I78-F115 HydrophobicContact CD1-CE2 4.43Å; I78-F115 HydrophobicContact CD1-CG 4.45Å; I78-F115 HydrophobicContact CG2-CB 3.75Å; I78-F115 HydrophobicContact CG2-CD1 4.06Å; I78-F115 HydrophobicContact CG2-CD2 4.15Å; I78-F115 HydrophobicContact CG2-CG 3.73Å; I78-I117 HydrophobicContact CG2-CD1 4.33Å |
| 79 | L | 94.2 | Very high | 91.7 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 9% | 0.094 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.8 | -20.4 | 176 | -143.1 | 70.2 | 0 | 0 | 0 | 112.7 | A75 D76 L77 R83 F115 L1043 F1044 | A75-L79 WeakPolarHBondContact O-CB 3.46Å; A75-L79 PolarHBondContact O-N 3.33Å; D76-L79 CarbonylContact O-C 3.56Å; D76-L79 PolarHBondContact O-N 3.34Å; L77-L79 PolarHBondContact O-N 3.06Å; L79-R83 VanDerWaalsContact O-CG 3.3Å; L79-R83 WeakPolarHBondContact O-CG 3.43Å; L79-R83 PolarHBondContact O-N 3.41Å; L79-R83 PolarHBondContact O-NH1 2.89Å; L79-F115 HydrophobicContact CD1-CE1 3.98Å; L79-L1043 HydrophobicContact CD1-CD2 3.86Å; L79-L1043 HydrophobicContact CD2-CD2 3.64Å; L79-L1043 HydrophobicContact CG-CD2 3.46Å; L79-L1043 VanDerWaalsContact CG-CD2 3.46Å; L79-F1044 HydrophobicContact CD1-CE2 4.49Å; L79-F1044 HydrophobicContact CD1-CZ 3.93Å |
| 80 | H | 94 | Very high | 92.1 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -77.2 | -45.2 | 169 | -168.2 | 68.1 | 0 | 0 | 0 | 110.9 | D76 L77 I78 V82 R83 L84 | D76-H80 PolarHBondContact O-N 3.22Å; L77-H80 WeakPolarHBondContact O-CA 3.38Å; L77-H80 WeakPolarHBondContact O-CB 3.38Å; L77-H80 PolarHBondContact O-N 3.37Å; I78-H80 PolarHBondContact O-N 3.31Å; H80-V82 VanDerWaalsContact C-N 3.31Å; H80-V82 PolarHBondContact O-N 3.04Å; H80-R83 PolarHBondContact O-N 3.05Å; H80-L84 PolarHBondContact O-N 3.5Å |
| 81 | E | 94.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.028 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.1 | -47.1 | 174 | -174.3 | 178.1 | 172.6 | 0 | 0 | 111.4 | K65 L77 I78 R83 L84 L85 F189 G190 | K65-E81 IonicContact NZ-OE1 2.75Å; K65-E81 PolarHBondContact NZ-OE1 3.37Å; K65-E81 IonicContact NZ-OE2 2.75Å; K65-E81 PolarHBondContact NZ-OE2 2.89Å; L77-E81 PolarHBondContact O-N 2.79Å; I78-E81 PolarHBondContact O-N 3.28Å; E81-R83 VanDerWaalsContact C-N 3.33Å; E81-R83 PolarHBondContact O-N 3.03Å; E81-L84 PolarHBondContact O-N 3.32Å; E81-L85 HydrophobicContact CG-CD1 4.01Å; E81-L85 WeakPolarHBondContact O-CB 3.24Å; E81-L85 PolarHBondContact O-N 3.41Å; E81-F189 HydrophobicContact CG-CB 4.14Å; E81-G190 WeakPolarHBondContact OE2-CA 3.41Å |
| 82 | V | 95 | Very high | 93.4 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 112.5 | I78 H80 K86 F97 A100 I117 F1044 | I78-V82 WeakPolarHBondContact O-CG2 3.26Å; I78-V82 PolarHBondContact O-N 2.92Å; H80-V82 VanDerWaalsContact C-N 3.31Å; H80-V82 PolarHBondContact O-N 3.04Å; V82-K86 WeakPolarHBondContact O-CB 3.49Å; V82-K86 WeakPolarHBondContact O-CG 3.44Å; V82-K86 PolarHBondContact O-N 2.85Å; V82-F97 HydrophobicContact CG1-CE2 4.22Å; V82-F97 HydrophobicContact CG1-CZ 4.31Å; V82-A100 HydrophobicContact CG1-CB 3.94Å; V82-A100 HydrophobicContact CG2-CB 4.02Å; V82-I117 HydrophobicContact CG2-CD1 3.59Å; V82-I117 HydrophobicContact CG2-CG1 3.81Å; V82-F1044 HydrophobicContact CG1-CE1 4.38Å |
| 83 | R | 96.3 | Very high | 94 | Very high | 101 Ų | 101 | 40.9 Ų | 40.9 | 38% | 0.381 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.2 | -45 | 176.5 | -75.3 | 177.1 | -170.1 | 106.3 | -12.5 | 111.6 | L79 H80 E81 K86 Q87 L1043 | L79-R83 VanDerWaalsContact O-CG 3.3Å; L79-R83 WeakPolarHBondContact O-CG 3.43Å; L79-R83 PolarHBondContact O-N 3.41Å; L79-R83 PolarHBondContact O-NH1 2.89Å; H80-R83 PolarHBondContact O-N 3.05Å; E81-R83 VanDerWaalsContact C-N 3.33Å; E81-R83 PolarHBondContact O-N 3.03Å; R83-K86 PolarHBondContact O-N 2.85Å; R83-Q87 WeakPolarHBondContact O-CB 3.43Å; R83-Q87 PolarHBondContact O-N 2.8Å; R83-L1043 HydrophobicContact CG-CD2 4.47Å |
| 84 | L | 96.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 177.7 | -65.1 | -178.4 | 0 | 0 | 0 | 111.7 | H80 E81 K86 Q87 L88 V166 A192 T194 | H80-L84 PolarHBondContact O-N 3.5Å; E81-L84 PolarHBondContact O-N 3.32Å; L84-K86 VanDerWaalsContact C-N 3.35Å; L84-K86 PolarHBondContact O-N 3.37Å; L84-Q87 PolarHBondContact O-N 3.04Å; L84-L88 WeakPolarHBondContact O-CB 3.36Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.04Å; L84-V166 HydrophobicContact CD1-CG1 4.06Å; L84-V166 HydrophobicContact CD2-CG1 4.02Å; L84-V166 HydrophobicContact CD2-CG2 3.87Å; L84-A192 HydrophobicContact CD1-CB 3.57Å; L84-T194 HydrophobicContact CD2-CG2 4.36Å |
| 85 | L | 95.6 | Very high | 95 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.7 | -37.7 | 172.6 | -85.5 | 170.5 | 0 | 0 | 0 | 113 | E81 F97 I117 F189 | E81-L85 HydrophobicContact CG-CD1 4.01Å; E81-L85 WeakPolarHBondContact O-CB 3.24Å; E81-L85 PolarHBondContact O-N 3.41Å; L85-F97 HydrophobicContact CB-CB 4.17Å; L85-F97 HydrophobicContact CB-CD2 3.8Å; L85-F97 HydrophobicContact CB-CG 4.24Å; L85-F97 HydrophobicContact CD1-CD2 4.39Å; L85-F97 WeakPolarHBondContact O-CB 3.22Å; L85-I117 HydrophobicContact CD1-CG2 3.95Å; L85-F189 HydrophobicContact CD2-CD2 3.45Å; L85-F189 VanDerWaalsContact CD2-CD2 3.45Å; L85-F189 HydrophobicContact CD2-CE2 3.72Å; L85-F189 HydrophobicContact CD2-CG 4.47Å; L85-F189 HydrophobicContact CG-CD2 3.87Å |
| 86 | K | 95.4 | Very high | 95.4 | Very high | 73 Ų | 73 | 39.9 Ų | 39.9 | 32% | 0.317 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.4 | -42.5 | 171.9 | -80.2 | -176.3 | 174 | -167.7 | 0 | 111.6 | V82 R83 L84 N89 F97 L1043 F1044 | V82-K86 WeakPolarHBondContact O-CB 3.49Å; V82-K86 WeakPolarHBondContact O-CG 3.44Å; V82-K86 PolarHBondContact O-N 2.85Å; R83-K86 PolarHBondContact O-N 2.85Å; L84-K86 VanDerWaalsContact C-N 3.35Å; L84-K86 PolarHBondContact O-N 3.37Å; K86-N89 WeakPolarHBondContact O-CB 3.43Å; K86-F97 HydrophobicContact CD-CE1 4.28Å; K86-F97 HydrophobicContact CD-CZ 4.45Å; K86-F97 HydrophobicContact CG-CD1 3.86Å; K86-F97 HydrophobicContact CG-CE1 3.5Å; K86-F97 HydrophobicContact CG-CE2 4.48Å; K86-F97 HydrophobicContact CG-CZ 3.84Å; K86-L1043 PolarHBondContact NZ-O 3.17Å; K86-F1044 PolarHBondContact NZ-O 3.12Å |
| 87 | Q | 95.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 37 Ų | 37 | 37% | 0.369 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.2 | -43.2 | -176.9 | -179.6 | -179.5 | -12.4 | 0 | 0 | 113.4 | R83 L84 N89 | R83-Q87 WeakPolarHBondContact O-CB 3.43Å; R83-Q87 PolarHBondContact O-N 2.8Å; L84-Q87 PolarHBondContact O-N 3.04Å; Q87-N89 PolarHBondContact O-N 3.15Å |
| 88 | L | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 9.2 | -176.4 | -60.8 | 169.7 | 0 | 0 | 0 | 113.4 | L84 I94 M159 Q162 V166 F189 | L84-L88 WeakPolarHBondContact O-CB 3.36Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.04Å; L88-I94 HydrophobicContact CB-CG2 4.02Å; L88-I94 WeakPolarHBondContact O-CG2 3.5Å; L88-M159 HydrophobicContact CD1-CE 4.19Å; L88-M159 HydrophobicContact CD1-CG 3.95Å; L88-M159 HydrophobicContact CD2-CB 4.34Å; L88-M159 HydrophobicContact CD2-CG 4Å; L88-Q162 HydrophobicContact CD2-CG 3.69Å; L88-V166 HydrophobicContact CD1-CG1 4.34Å; L88-V166 HydrophobicContact CD2-CG2 4.4Å; L88-F189 HydrophobicContact CD1-CD1 3.86Å; L88-F189 HydrophobicContact CD1-CE1 3.65Å; L88-F189 HydrophobicContact CD1-CZ 4.39Å |
| 89 | N | 96.1 | Very high | 95.9 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 146.9 | -168.6 | -159 | 12.7 | 0 | 0 | 0 | 112.6 | K86 Q87 K96 F97 | K86-N89 WeakPolarHBondContact O-CB 3.43Å; Q87-N89 PolarHBondContact O-N 3.15Å; N89-K96 WeakPolarHBondContact OD1-CA 3.27Å; N89-K96 WeakPolarHBondContact OD1-CG 3.37Å; N89-F97 PolarHBondContact ND2-O 3.25Å; N89-F97 PolarHBondContact OD1-N 3.42Å |
| 90 | G | 94 | Very high | 95.9 | Very high | 62 Ų | 62 | 36.9 Ų | 36.9 | 64% | 0.639 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -16.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 91 | H | 97.2 | Very high | 95.8 | Very high | 23 Ų | 23 | 35.1 Ų | 35.1 | 11% | 0.106 | 19% | 0.189 | C | C | . | . | trans | -69.5 | 134.4 | 173.9 | -174.5 | -97.6 | 0 | 0 | 0 | 111.4 | N93 I94 R154 H158 | H91-N93 PolarHBondContact ND1-N 2.77Å; H91-N93 PolarHBondContact O-N 3.31Å; H91-N93 VanDerWaalsContact O-N 3.1Å; H91-I94 HydrophobicContact CB-CB 4.22Å; H91-I94 HydrophobicContact CB-CG1 3.91Å; H91-I94 PolarHBondContact O-N 3.34Å; H91-R154 PolarHBondContact CE1-O 2.96Å; H91-H158 HydrophobicContact CB-CB 4.28Å; H91-H158 AromaticContact CD2-CG 3.9Å; H91-H158 AromaticContact CD2-ND1 3.96Å; H91-H158 AromaticContact CG-CG 3.67Å | ||
| 92 | P | 96.4 | Very high | 95.5 | Very high | 75 Ų | 75 | 36 Ų | 36 | 49% | 0.487 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.7 | -174.1 | 20.2 | -34.4 | 0 | 0 | 0 | 114.6 | K185 | P92-K185 WeakPolarHBondContact O-CD 3.43Å; P92-K185 WeakPolarHBondContact O-CE 3.27Å; P92-K185 PolarHBondContact O-NZ 3.34Å; P92-K185 VanDerWaalsContact O-NZ 3.16Å |
| 93 | N | 97.9 | Very high | 94.6 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 10.3 | 179.6 | -53.5 | 109.9 | 0 | 0 | 0 | 114.8 | H91 Q151 I184 L186 | H91-N93 PolarHBondContact ND1-N 2.77Å; H91-N93 PolarHBondContact O-N 3.31Å; H91-N93 VanDerWaalsContact O-N 3.1Å; N93-Q151 VanDerWaalsContact CB-O 3.25Å; N93-Q151 WeakPolarHBondContact CB-O 3.43Å; N93-Q151 VanDerWaalsContact CG-O 3.29Å; N93-I184 WeakPolarHBondContact CA-O 3.49Å; N93-I184 PolarHBondContact ND2-O 3.03Å; N93-L186 PolarHBondContact O-N 3.47Å |
| 94 | I | 97.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -105.2 | 143.3 | 168.4 | -61.8 | -62.6 | 0 | 0 | 0 | 109 | L88 H91 K96 M159 K185 L186 F189 | L88-I94 HydrophobicContact CB-CG2 4.02Å; L88-I94 WeakPolarHBondContact O-CG2 3.5Å; H91-I94 HydrophobicContact CB-CB 4.22Å; H91-I94 HydrophobicContact CB-CG1 3.91Å; H91-I94 PolarHBondContact O-N 3.34Å; I94-K96 PolarHBondContact O-N 3.24Å; I94-M159 HydrophobicContact CD1-CG 4.06Å; I94-M159 HydrophobicContact CD1-SD 4.33Å; I94-K185 WeakPolarHBondContact O-CD 3.45Å; I94-K185 PolarHBondContact O-NZ 2.97Å; I94-L186 HydrophobicContact CD1-CB 4.24Å; I94-L186 HydrophobicContact CD1-CD1 4.36Å; I94-F189 HydrophobicContact CD1-CE1 4.5Å; I94-F189 HydrophobicContact CD1-CZ 4.17Å; I94-F189 HydrophobicContact CG2-CE2 4.32Å; I94-F189 HydrophobicContact CG2-CZ 3.91Å |
| 95 | L | 96.9 | Very high | 90.6 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 116.3 | 172.3 | -173.1 | 72.9 | 0 | 0 | 0 | 110.9 | F97 T119 E120 C122 L177 L186 C187 | L95-F97 PolarHBondContact O-N 2.81Å; L95-T119 HydrophobicContact CD2-CG2 3.88Å; L95-T119 HydrophobicContact CG-CG2 4.2Å; L95-E120 WeakPolarHBondContact CA-OE1 3.21Å; L95-E120 HydrophobicContact CD1-CG 3.58Å; L95-E120 HydrophobicContact CG-CG 4.46Å; L95-C122 VanDerWaalsContact CD1-SG 3.59Å; L95-L177 HydrophobicContact CD1-CD1 4.1Å; L95-L186 WeakPolarHBondContact CB-O 3.35Å; L95-L186 PolarHBondContact N-O 2.94Å; L95-C187 HydrophobicContact CB-CB 4.3Å; L95-C187 HydrophobicContact CD2-CB 3.88Å |
| 96 | K | 96.9 | Very high | 88.2 | Confident | 89 Ų | 89 | 50.1 Ų | 50.1 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -67 | 123.8 | -175.8 | -173.6 | 177.3 | 179.5 | 177.1 | 0 | 110.9 | N89 I94 F98 T119 E120 | N89-K96 WeakPolarHBondContact OD1-CA 3.27Å; N89-K96 WeakPolarHBondContact OD1-CG 3.37Å; I94-K96 PolarHBondContact O-N 3.24Å; K96-F98 HydrophobicContact CB-CE2 4.36Å; K96-F98 HydrophobicContact CD-CE2 3.92Å; K96-F98 HydrophobicContact CD-CZ 3.78Å; K96-F98 HydrophobicContact CG-CD2 4.46Å; K96-F98 HydrophobicContact CG-CE2 3.96Å; K96-F98 HydrophobicContact CG-CZ 4.29Å; K96-T119 CarbonylContact O-C 3.56Å; K96-T119 WeakPolarHBondContact O-CA 3.38Å; K96-T119 WeakPolarHBondContact O-CB 3.28Å; K96-E120 HydrophobicContact CB-CB 4.26Å; K96-E120 HydrophobicContact CB-CG 4.16Å; K96-E120 VanDerWaalsContact CB-OE1 3.32Å; K96-E120 WeakPolarHBondContact CB-OE1 3.39Å; K96-E120 PolarHBondContact N-OE1 3.01Å; K96-E120 PolarHBondContact O-N 3.09Å |
| 97 | F | 96.9 | Very high | 85.6 | Confident | 13 Ų | 13 | 56 Ų | 56 | 6% | 0.057 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 143.1 | 172.7 | 175.3 | -89.1 | 0 | 0 | 0 | 110.8 | V82 L85 K86 N89 L95 S99 A100 I117 | V82-F97 HydrophobicContact CG1-CE2 4.22Å; V82-F97 HydrophobicContact CG1-CZ 4.31Å; L85-F97 HydrophobicContact CB-CB 4.17Å; L85-F97 HydrophobicContact CB-CD2 3.8Å; L85-F97 HydrophobicContact CB-CG 4.24Å; L85-F97 HydrophobicContact CD1-CD2 4.39Å; L85-F97 WeakPolarHBondContact O-CB 3.22Å; K86-F97 HydrophobicContact CD-CE1 4.28Å; K86-F97 HydrophobicContact CD-CZ 4.45Å; K86-F97 HydrophobicContact CG-CD1 3.86Å; K86-F97 HydrophobicContact CG-CE1 3.5Å; K86-F97 HydrophobicContact CG-CE2 4.48Å; K86-F97 HydrophobicContact CG-CZ 3.84Å; N89-F97 PolarHBondContact ND2-O 3.25Å; N89-F97 PolarHBondContact OD1-N 3.42Å; L95-F97 PolarHBondContact O-N 2.81Å; F97-S99 WeakPolarHBondContact CE2-O 3.45Å; F97-A100 HydrophobicContact CE2-CB 3.97Å; F97-A100 HydrophobicContact CZ-CB 3.99Å; F97-I117 HydrophobicContact CD2-CG2 4.23Å; F97-I117 HydrophobicContact CE2-CG2 4.08Å |
| 98 | F | 95.4 | Very high | 83 | Confident | 73 Ų | 73 | 56 Ų | 56 | 32% | 0.32 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | -49.6 | 174.5 | -74.4 | -93.7 | 0 | 0 | 0 | 112.8 | L34 Y62 K96 V118 E120 | L34-F98 HydrophobicContact CD1-CB 3.98Å; Y62-F98 AromaticContact CD1-CD2 3.98Å; Y62-F98 HydrophobicContact CD1-CD2 3.98Å; Y62-F98 HydrophobicContact CD1-CE2 4.14Å; Y62-F98 HydrophobicContact CD1-CG 4.21Å; Y62-F98 AromaticContact CE1-CD1 3.75Å; Y62-F98 HydrophobicContact CE1-CD1 3.75Å; Y62-F98 AromaticContact CE1-CD2 3.85Å; Y62-F98 HydrophobicContact CE1-CD2 3.85Å; Y62-F98 AromaticContact CE1-CE1 3.76Å; Y62-F98 HydrophobicContact CE1-CE1 3.76Å; Y62-F98 AromaticContact CE1-CE2 3.85Å; Y62-F98 HydrophobicContact CE1-CE2 3.85Å; Y62-F98 AromaticContact CE1-CG 3.79Å; Y62-F98 HydrophobicContact CE1-CG 3.79Å; Y62-F98 AromaticContact CE1-CZ 3.8Å; Y62-F98 HydrophobicContact CE1-CZ 3.8Å; K96-F98 HydrophobicContact CB-CE2 4.36Å; K96-F98 HydrophobicContact CD-CE2 3.92Å; K96-F98 HydrophobicContact CD-CZ 3.78Å; K96-F98 HydrophobicContact CG-CD2 4.46Å; K96-F98 HydrophobicContact CG-CE2 3.96Å; K96-F98 HydrophobicContact CG-CZ 4.29Å; F98-V118 HydrophobicContact CB-CB 4.5Å; F98-V118 HydrophobicContact CB-CG1 4.22Å; F98-V118 PolarHBondContact N-O 2.93Å; F98-E120 HydrophobicContact CE2-CB 3.99Å |
| 99 | S | 94.6 | Very high | 80.5 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 164 | -176.4 | -158.2 | 0 | 0 | 0 | 0 | 112.2 | V31 F97 V118 | V31-S99 PolarHBondContact O-OG 2.98Å; F97-S99 WeakPolarHBondContact CE2-O 3.45Å; S99-V118 PolarHBondContact N-O 3.17Å; S99-V118 PolarHBondContact O-N 3.1Å |
| 100 | A | 94.4 | Very high | 78.1 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 5% | 0.05 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 157.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | V82 F97 L116 I117 F1044 | V82-A100 HydrophobicContact CG1-CB 3.94Å; V82-A100 HydrophobicContact CG2-CB 4.02Å; F97-A100 HydrophobicContact CE2-CB 3.97Å; F97-A100 HydrophobicContact CZ-CB 3.99Å; A100-L116 CarbonylContact C-O 3.49Å; A100-L116 WeakPolarHBondContact CA-O 3.48Å; A100-L116 WeakPolarHBondContact CB-O 3.45Å; A100-I117 HydrophobicContact CB-CG1 4.39Å; A100-F1044 VanDerWaalsContact C-CD1 3.47Å; A100-F1044 HydrophobicContact CB-CD1 3.92Å; A100-F1044 HydrophobicContact CB-CE1 3.65Å; A100-F1044 WeakPolarHBondContact O-CD1 3.33Å |
| 101 | A | 92.3 | Very high | 76.2 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 154 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | V31 L116 | V31-A101 HydrophobicContact CG1-CB 3.88Å; A101-L116 PolarHBondContact N-O 3.38Å; A101-L116 PolarHBondContact O-N 3.15Å |
| 102 | S | 88.2 | Confident | 74.7 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131.8 | 166 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | E114 V1040 | S102-E114 CarbonylContact C-O 3.55Å; S102-E114 VanDerWaalsContact CA-O 3.23Å; S102-E114 WeakPolarHBondContact CA-O 3.38Å; S102-V1040 WeakPolarHBondContact OG-CG1 3.17Å |
| 103 | V | 75.1 | Confident | 74 | Confident | 69 Ų | 69 | 64 Ų | 64 | 42% | 0.418 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 112.6 | 174.3 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | E114 L116 | V103-E114 HydrophobicContact CB-CB 4.26Å; V103-E114 PolarHBondContact N-O 2.73Å; V103-E114 PolarHBondContact O-N 3.21Å; V103-L116 HydrophobicContact CG2-CD1 4.28Å |
| 104 | G | 58.6 | Low | 73.5 | Confident | 47 Ų | 47 | 64 Ų | 64 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | trans | -74.7 | 161.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E106 | G104-E106 PolarHBondContact O-N 2.81Š| ||
| 105 | K | 50.1 | Low | 73.2 | Confident | 135 Ų | 135 | 64.3 Ų | 64.3 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 0.2 | -169.5 | -67.5 | 175.6 | 179.9 | 173.2 | 0 | 117.3 | K107 G112 | K105-K107 VanDerWaalsContact C-N 3.3Å; K105-K107 PolarHBondContact O-N 2.68Å; K105-G112 VanDerWaalsContact CE-C 3.45Å; K105-G112 WeakPolarHBondContact CE-O 3.38Å; K105-G112 WeakPolarHBondContact CG-O 3.39Å |
| 106 | E | 45 | Very low | 73.1 | Confident | 156 Ų | 156 | 63.8 Ų | 63.8 | 73% | 0.729 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -14.2 | -171.4 | -80.8 | 179.6 | 102.4 | 0 | 0 | 115.5 | G104 K1037 | G104-E106 PolarHBondContact O-N 2.81Å; E106-K1037 IonicContact OE2-NZ 3.42Å; E106-K1037 PolarHBondContact OE2-NZ 3.11Å |
| 107 | K | 42.3 | Very low | 73 | Confident | 195 Ų | 195 | 59.7 Ų | 59.7 | 85% | 0.848 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -129.4 | -9.5 | -170.4 | -70 | -173.4 | 178.4 | 177 | 0 | 117.6 | K105 | K105-K107 VanDerWaalsContact C-N 3.3Å; K105-K107 PolarHBondContact O-N 2.68Å |
| 108 | M | 38.8 | Very low | 73 | Confident | 81 Ų | 81 | 59.1 Ų | 59.1 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -137.3 | 150.2 | -178.8 | -79.8 | -174.8 | 163.4 | 0 | 0 | 112.5 | E23 F24 V110 | E23-M108 HydrophobicContact CG-CE 4.39Å; F24-M108 HydrophobicContact CE2-CE 4.03Å; F24-M108 HydrophobicContact CE2-SD 4.21Å; M108-V110 HydrophobicContact CB-CG2 4.4Å; M108-V110 PolarHBondContact O-N 3.01Å |
| 109 | K | 44.5 | Very low | 73 | Confident | 173 Ų | 173 | 56.1 Ų | 56.1 | 75% | 0.752 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -72.9 | 17.1 | -172.7 | -123.3 | 177.3 | -176.9 | 179.3 | 0 | 114.8 | ||
| 110 | V | 46.4 | Very low | 73.1 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | trans | -98.8 | 132 | -167.2 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | L68 M108 G112 | L68-V110 HydrophobicContact CD1-CG1 4.11Å; L68-V110 HydrophobicContact CD2-CG1 3.79Å; M108-V110 HydrophobicContact CB-CG2 4.4Å; M108-V110 PolarHBondContact O-N 3.01Å; V110-G112 PolarHBondContact O-N 2.81Å; V110-G112 VanDerWaalsContact O-N 3.1Å | ||
| 111 | I | 54.6 | Low | 73.2 | Confident | 104 Ų | 104 | 58.4 Ų | 58.4 | 53% | 0.533 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -88 | 79.4 | -175.4 | -53.1 | 155.6 | 0 | 0 | 0 | 109.2 | V1466 | I111-V1466 HydrophobicContact CD1-CB 3.82Å; I111-V1466 HydrophobicContact CD1-CG1 4.18Å; I111-V1466 HydrophobicContact CD1-CG2 3.72Å; I111-V1466 HydrophobicContact CG1-CG1 4.46Å |
| 112 | G | 66.6 | Low | 73.3 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 179.8 | -176 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | A69 K105 V110 | A69-G112 CarbonylContact O-C 3.55Å; A69-G112 WeakPolarHBondContact O-CA 3.45Å; K105-G112 VanDerWaalsContact CE-C 3.45Å; K105-G112 WeakPolarHBondContact CE-O 3.38Å; K105-G112 WeakPolarHBondContact CG-O 3.39Å; V110-G112 PolarHBondContact O-N 2.81Å; V110-G112 VanDerWaalsContact O-N 3.1Å |
| 113 | T | 80.7 | Confident | 73.5 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.3 | 159.8 | -59.1 | 0 | 0 | 0 | 0 | 107.2 | A69 F115 | A69-T113 PolarHBondContact N-O 3.33Å; A69-T113 PolarHBondContact O-N 2.74Å; T113-F115 HydrophobicContact CG2-CD2 4.35Å; T113-F115 HydrophobicContact CG2-CE2 3.73Å; T113-F115 HydrophobicContact CG2-CZ 3.95Å |
| 114 | E | 87.5 | Confident | 74.3 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 141.1 | 177.7 | -177.1 | 171.4 | 147.7 | 0 | 0 | 110.3 | F24 R66 L68 S102 V103 | F24-E114 WeakPolarHBondContact CZ-OE1 3.41Å; R66-E114 HydrophobicContact CG-CG 4.36Å; R66-E114 IonicContact CZ-OE1 2.66Å; R66-E114 IonicContact CZ-OE2 3.22Å; R66-E114 IonicContact NE-OE1 2.84Å; R66-E114 PolarHBondContact NE-OE1 2.95Å; R66-E114 IonicContact NE-OE2 2.74Å; R66-E114 PolarHBondContact NE-OE2 3.35Å; R66-E114 IonicContact NH2-OE1 3.95Å; R66-E114 PolarHBondContact NH2-OE1 3.23Å; R66-E114 IonicContact NH2-OE2 2.68Å; R66-E114 PolarHBondContact NH2-OE2 3.48Å; L68-E114 HydrophobicContact CD2-CB 3.8Å; L68-E114 HydrophobicContact CD2-CG 4.13Å; S102-E114 CarbonylContact C-O 3.55Å; S102-E114 VanDerWaalsContact CA-O 3.23Å; S102-E114 WeakPolarHBondContact CA-O 3.38Å; V103-E114 HydrophobicContact CB-CB 4.26Å; V103-E114 PolarHBondContact N-O 2.73Å; V103-E114 PolarHBondContact O-N 3.21Å |
| 115 | F | 92.5 | Very high | 76 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.8 | 175.8 | -70.8 | -89.3 | 0 | 0 | 0 | 110 | R66 M67 A69 A75 I78 L79 T113 F1044 | R66-F115 WeakPolarHBondContact CA-O 3.31Å; M67-F115 HydrophobicContact CB-CB 4.43Å; M67-F115 PolarHBondContact N-O 3.24Å; M67-F115 PolarHBondContact O-N 3.09Å; A69-F115 HydrophobicContact CB-CD2 4.18Å; A69-F115 HydrophobicContact CB-CE2 3.77Å; A75-F115 HydrophobicContact CB-CE2 3.88Å; A75-F115 HydrophobicContact CB-CZ 3.96Å; I78-F115 HydrophobicContact CB-CD2 4.47Å; I78-F115 HydrophobicContact CB-CG 4.5Å; I78-F115 HydrophobicContact CD1-CD2 3.86Å; I78-F115 HydrophobicContact CD1-CE2 4.43Å; I78-F115 HydrophobicContact CD1-CG 4.45Å; I78-F115 HydrophobicContact CG2-CB 3.75Å; I78-F115 HydrophobicContact CG2-CD1 4.06Å; I78-F115 HydrophobicContact CG2-CD2 4.15Å; I78-F115 HydrophobicContact CG2-CG 3.73Å; L79-F115 HydrophobicContact CD1-CE1 3.98Å; T113-F115 HydrophobicContact CG2-CD2 4.35Å; T113-F115 HydrophobicContact CG2-CE2 3.73Å; T113-F115 HydrophobicContact CG2-CZ 3.95Å; F115-F1044 HydrophobicContact CD1-CZ 4.08Å; F115-F1044 HydrophobicContact CE1-CZ 4.05Å |
| 116 | L | 93.9 | Very high | 78 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.3 | 175.6 | -62.8 | 177 | 0 | 0 | 0 | 108.3 | I29 V31 L64 R66 A100 A101 V103 | I29-L116 HydrophobicContact CD1-CD1 4.28Å; V31-L116 HydrophobicContact CG1-CB 4.47Å; V31-L116 HydrophobicContact CG2-CB 4.22Å; V31-L116 HydrophobicContact CG2-CD1 3.94Å; L64-L116 HydrophobicContact CD1-CB 4.16Å; L64-L116 HydrophobicContact CD1-CD2 4.3Å; R66-L116 HydrophobicContact CB-CD2 3.94Å; R66-L116 HydrophobicContact CG-CD2 3.82Å; A100-L116 CarbonylContact C-O 3.49Å; A100-L116 WeakPolarHBondContact CA-O 3.48Å; A100-L116 WeakPolarHBondContact CB-O 3.45Å; A101-L116 PolarHBondContact N-O 3.38Å; A101-L116 PolarHBondContact O-N 3.15Å; V103-L116 HydrophobicContact CG2-CD1 4.28Å |
| 117 | I | 95 | Very high | 80.4 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.7 | 176.9 | -51.7 | 177.3 | 0 | 0 | 0 | 108.2 | L64 K65 M67 I78 V82 L85 F97 A100 T119 | L64-I117 CarbonylContact C-O 3.46Å; L64-I117 WeakPolarHBondContact CA-O 3.49Å; K65-I117 HydrophobicContact CB-CB 4.31Å; K65-I117 PolarHBondContact N-O 3.43Å; K65-I117 PolarHBondContact O-N 2.93Å; M67-I117 HydrophobicContact SD-CD1 3.98Å; I78-I117 HydrophobicContact CG2-CD1 4.33Å; V82-I117 HydrophobicContact CG2-CD1 3.59Å; V82-I117 HydrophobicContact CG2-CG1 3.81Å; L85-I117 HydrophobicContact CD1-CG2 3.95Å; F97-I117 HydrophobicContact CD2-CG2 4.23Å; F97-I117 HydrophobicContact CE2-CG2 4.08Å; A100-I117 HydrophobicContact CB-CG1 4.39Å; I117-T119 HydrophobicContact CG2-CG2 4.46Å |
| 118 | V | 96 | Very high | 82.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.3 | -177.3 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | V31 L34 L36 Y62 A63 L64 F98 S99 | V31-V118 HydrophobicContact CB-CG2 3.91Å; V31-V118 HydrophobicContact CG1-CG2 3.79Å; V31-V118 HydrophobicContact CG2-CG2 4.24Å; L34-V118 HydrophobicContact CD1-CG1 3.87Å; L36-V118 HydrophobicContact CD1-CG1 3.96Å; L36-V118 HydrophobicContact CD1-CG2 3.71Å; Y62-V118 HydrophobicContact CD1-CG1 3.84Å; Y62-V118 HydrophobicContact CG-CG1 4.06Å; A63-V118 WeakPolarHBondContact O-CA 3.36Å; L64-V118 HydrophobicContact CD1-CG2 3.85Å; F98-V118 HydrophobicContact CB-CB 4.5Å; F98-V118 HydrophobicContact CB-CG1 4.22Å; F98-V118 PolarHBondContact N-O 2.93Å; S99-V118 PolarHBondContact N-O 3.17Å; S99-V118 PolarHBondContact O-N 3.1Å |
| 119 | T | 96.2 | Very high | 85.1 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 170.8 | 179.4 | 50.4 | 0 | 0 | 0 | 0 | 111.2 | A63 L95 K96 I117 | A63-T119 PolarHBondContact N-O 3.1Å; A63-T119 PolarHBondContact O-N 2.93Å; L95-T119 HydrophobicContact CD2-CG2 3.88Å; L95-T119 HydrophobicContact CG-CG2 4.2Å; K96-T119 CarbonylContact O-C 3.56Å; K96-T119 WeakPolarHBondContact O-CA 3.38Å; K96-T119 WeakPolarHBondContact O-CB 3.28Å; I117-T119 HydrophobicContact CG2-CG2 4.46Å |
| 120 | E | 96 | Very high | 87.2 | Confident | 39 Ų | 39 | 35.2 Ų | 35.2 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 144.3 | 173.8 | 69.5 | -166.8 | 134.4 | 0 | 0 | 112.3 | L95 K96 F98 C122 K185 | L95-E120 WeakPolarHBondContact CA-OE1 3.21Å; L95-E120 HydrophobicContact CD1-CG 3.58Å; L95-E120 HydrophobicContact CG-CG 4.46Å; K96-E120 HydrophobicContact CB-CB 4.26Å; K96-E120 HydrophobicContact CB-CG 4.16Å; K96-E120 VanDerWaalsContact CB-OE1 3.32Å; K96-E120 WeakPolarHBondContact CB-OE1 3.39Å; K96-E120 PolarHBondContact N-OE1 3.01Å; K96-E120 PolarHBondContact O-N 3.09Å; F98-E120 HydrophobicContact CE2-CB 3.99Å; E120-C122 PolarHBondContact O-N 3.03Å; E120-K185 WeakPolarHBondContact OE1-CD 3.36Å; E120-K185 WeakPolarHBondContact OE1-CE 3.43Å; E120-K185 IonicContact OE1-NZ 3.65Å; E120-K185 PolarHBondContact OE1-NZ 3.49Å; E120-K185 IonicContact OE2-NZ 3.63Å; E120-K185 PolarHBondContact OE2-NZ 2.99Å |
| 121 | F | 96.4 | Very high | 89.1 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 15% | 0.145 | 17% | 0.17 | C | C | . | . | trans | -86.5 | 94.4 | 173.5 | -178.1 | -125.1 | 0 | 0 | 0 | 111.5 | I42 E52 S61 K123 | I42-F121 HydrophobicContact CD1-CD2 3.86Å; I42-F121 HydrophobicContact CD1-CE2 3.66Å; I42-F121 HydrophobicContact CG2-CE2 4.23Å; E52-F121 HydrophobicContact CB-CE2 4.48Å; E52-F121 HydrophobicContact CG-CD1 4.27Å; E52-F121 HydrophobicContact CG-CD2 4.48Å; E52-F121 HydrophobicContact CG-CE1 4.24Å; E52-F121 HydrophobicContact CG-CE2 4.48Å; E52-F121 HydrophobicContact CG-CG 4.41Å; E52-F121 HydrophobicContact CG-CZ 4.38Å; S61-F121 VanDerWaalsContact O-CB 3.28Å; S61-F121 WeakPolarHBondContact O-CB 3.47Å; F121-K123 HydrophobicContact CD1-CG 3.85Å; F121-K123 HydrophobicContact CE1-CB 4.33Å; F121-K123 HydrophobicContact CE1-CG 3.93Å; F121-K123 PolarHBondContact O-N 2.95Å | ||
| 122 | C | 95.8 | Very high | 90.3 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | trans | -62 | 89.6 | 171.2 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | L95 E120 G124 G125 L177 L178 | L95-C122 VanDerWaalsContact CD1-SG 3.59Å; E120-C122 PolarHBondContact O-N 3.03Å; C122-G124 PolarHBondContact O-N 3.27Å; C122-G125 PolarHBondContact O-N 3.16Å; C122-L177 HydrophobicContact CB-CB 3.85Å; C122-L177 HydrophobicContact CB-CD1 4.18Å; C122-L178 CarbonylContact C-O 3.49Å; C122-L178 VanDerWaalsContact C-O 3.32Å; C122-L178 VanDerWaalsContact CB-O 3.3Å; C122-L178 WeakPolarHBondContact CB-O 3.2Å | ||
| 123 | K | 92.6 | Very high | 90.5 | Very high | 119 Ų | 119 | 33.1 Ų | 33.1 | 52% | 0.517 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.8 | -172.5 | -52 | -160.1 | -173.2 | 96.1 | 0 | 114.2 | F121 G125 D180 | F121-K123 HydrophobicContact CD1-CG 3.85Å; F121-K123 HydrophobicContact CE1-CB 4.33Å; F121-K123 HydrophobicContact CE1-CG 3.93Å; F121-K123 PolarHBondContact O-N 2.95Å; K123-G125 PolarHBondContact O-N 2.85Å; K123-D180 HydrophobicContact CB-CB 3.96Å; K123-D180 HydrophobicContact CD-CB 3.97Å; K123-D180 HydrophobicContact CG-CB 3.92Å; K123-D180 IonicContact NZ-OD2 3.28Å; K123-D180 PolarHBondContact NZ-OD2 3.33Å |
| 124 | G | 91.8 | Very high | 89.9 | Confident | 8 Ų | 8 | 33.7 Ų | 33.7 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -24.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C122 Y130 L178 | C122-G124 PolarHBondContact O-N 3.27Å; G124-Y130 WeakPolarHBondContact O-CE2 3.46Å; G124-Y130 PolarHBondContact O-OH 3.45Å; G124-L178 WeakPolarHBondContact CA-O 3.42Å; G124-L178 PolarHBondContact N-O 3.31Å |
| 125 | G | 93.3 | Very high | 88.7 | Confident | 26 Ų | 26 | 38 Ų | 38 | 27% | 0.268 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.4 | -151.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | C122 K123 L177 L178 | C122-G125 PolarHBondContact O-N 3.16Å; K123-G125 PolarHBondContact O-N 2.85Å; G125-L177 CarbonylContact O-C 3.57Å; G125-L177 VanDerWaalsContact O-CA 3.28Å; G125-L177 WeakPolarHBondContact O-CA 3.05Å; G125-L178 PolarHBondContact O-N 3.45Å |
| 126 | Q | 93.1 | Very high | 87.2 | Confident | 56 Ų | 56 | 40.4 Ų | 40.4 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 144.2 | -178.7 | -65.2 | 168.4 | -76.3 | 0 | 0 | 111.9 | D128 K129 Y130 E174 L177 | Q126-D128 WeakPolarHBondContact CB-OD1 3.37Å; Q126-K129 HydrophobicContact CB-CD 4.46Å; Q126-Y130 WeakPolarHBondContact O-CD2 3.23Å; Q126-Y130 WeakPolarHBondContact O-CE2 3.44Å; Q126-E174 PolarHBondContact NE2-O 3.09Å; Q126-L177 HydrophobicContact CB-CD2 4.34Å; Q126-L177 HydrophobicContact CG-CD2 3.61Å |
| 127 | L | 94 | Very high | 85.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -64 | -38.2 | -179 | 176.7 | 64.9 | 0 | 0 | 0 | 112.4 | K129 Y130 L131 I148 I173 L176 L178 I184 L329 | L127-K129 PolarHBondContact O-N 3.44Å; L127-Y130 PolarHBondContact O-N 2.94Å; L127-L131 HydrophobicContact CD1-CD2 4.06Å; L127-L131 HydrophobicContact CD2-CD2 4.46Å; L127-L131 HydrophobicContact CG-CD1 4.45Å; L127-L131 HydrophobicContact CG-CD2 4Å; L127-L131 HydrophobicContact CG-CG 4.36Å; L127-I148 HydrophobicContact CD1-CD1 4.18Å; L127-I148 HydrophobicContact CD2-CG2 3.6Å; L127-I173 HydrophobicContact CD2-CG1 4.35Å; L127-L176 HydrophobicContact CB-CB 3.97Å; L127-L176 WeakPolarHBondContact CB-O 3.25Å; L127-L176 HydrophobicContact CD2-CB 4.08Å; L127-L176 HydrophobicContact CD2-CD1 3.78Å; L127-L176 PolarHBondContact N-O 2.88Å; L127-L178 HydrophobicContact CD1-CD1 4.02Å; L127-L178 HydrophobicContact CD1-CG 4.45Å; L127-I184 HydrophobicContact CD1-CD1 4.06Å; L127-I184 HydrophobicContact CD2-CD1 4.02Å; L127-I184 HydrophobicContact CG-CD1 4.45Å; L127-L329 HydrophobicContact CD1-CD1 3.85Å |
| 128 | D | 90.6 | Very high | 83.9 | Confident | 54 Ų | 54 | 55 Ų | 55 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -42.3 | -44.7 | -179.2 | 74.9 | -49.7 | 0 | 0 | 0 | 112.7 | Q126 Y130 L131 I173 | Q126-D128 WeakPolarHBondContact CB-OD1 3.37Å; D128-Y130 PolarHBondContact O-N 3.28Å; D128-L131 PolarHBondContact O-N 2.94Å; D128-I173 HydrophobicContact CB-CG2 3.86Å |
| 129 | K | 89 | Confident | 82.9 | Confident | 109 Ų | 109 | 58.2 Ų | 58.2 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -64.6 | -22.7 | -177.2 | -74.3 | 143.7 | -164.1 | 175.7 | 0 | 113.3 | Q126 L127 R336 | Q126-K129 HydrophobicContact CB-CD 4.46Å; L127-K129 PolarHBondContact O-N 3.44Å; K129-R336 PolarHBondContact O-NH1 3.03Å; K129-R336 PolarHBondContact O-NH2 2.89Å |
| 130 | Y | 89.1 | Confident | 82.4 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 14% | 0.137 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -92.4 | -13.5 | -179.7 | -62.1 | -94.1 | 0 | 0 | 0 | 113.8 | G124 Q126 L127 D128 L178 F182 L329 V332 A333 | G124-Y130 WeakPolarHBondContact O-CE2 3.46Å; G124-Y130 PolarHBondContact O-OH 3.45Å; Q126-Y130 WeakPolarHBondContact O-CD2 3.23Å; Q126-Y130 WeakPolarHBondContact O-CE2 3.44Å; L127-Y130 PolarHBondContact O-N 2.94Å; D128-Y130 PolarHBondContact O-N 3.28Å; Y130-L178 HydrophobicContact CD2-CD1 3.49Å; Y130-L178 VanDerWaalsContact CD2-CD1 3.49Å; Y130-L178 HydrophobicContact CE2-CD1 3.6Å; Y130-L178 HydrophobicContact CG-CD1 4.07Å; Y130-F182 HydrophobicContact CE1-CE1 4.16Å; Y130-L329 HydrophobicContact CD1-CB 4.47Å; Y130-V332 HydrophobicContact CD1-CB 4.21Å; Y130-V332 HydrophobicContact CD1-CG1 3.82Å; Y130-A333 HydrophobicContact CE1-CB 3.91Å |
| 131 | L | 87.7 | Confident | 82.1 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -75.8 | 156.4 | -179.2 | -49.3 | 178.7 | 0 | 0 | 0 | 110.5 | L127 D128 L140 I173 Y252 L253 | L127-L131 HydrophobicContact CD1-CD2 4.06Å; L127-L131 HydrophobicContact CD2-CD2 4.46Å; L127-L131 HydrophobicContact CG-CD1 4.45Å; L127-L131 HydrophobicContact CG-CD2 4Å; L127-L131 HydrophobicContact CG-CG 4.36Å; D128-L131 PolarHBondContact O-N 2.94Å; L131-L140 HydrophobicContact CD2-CD1 3.68Å; L131-I173 HydrophobicContact CD1-CG1 3.62Å; L131-I173 HydrophobicContact CD1-CG2 4.15Å; L131-Y252 HydrophobicContact CD1-CD1 3.94Å; L131-Y252 HydrophobicContact CD1-CE1 3.62Å; L131-L253 HydrophobicContact CD1-CD2 4.26Å; L131-L253 HydrophobicContact CD2-CD2 3.83Å |
| 132 | P | 79.1 | Confident | 81.8 | Confident | 31 Ų | 31 | 58 Ų | 58 | 20% | 0.201 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 150.2 | 170.7 | -22.6 | 33.7 | 0 | 0 | 0 | 111.5 | C136 N138 L140 T256 | P132-C136 HydrophobicContact CB-CB 4.2Å; P132-N138 WeakPolarHBondContact CG-O 3.42Å; P132-L140 HydrophobicContact CG-CD2 4.5Å; P132-L140 HydrophobicContact CG-CG 4.12Å; P132-T256 HydrophobicContact CB-CG2 4.19Å; P132-T256 HydrophobicContact CG-CG2 4.24Å |
| 133 | A | 70.1 | Confident | 81.7 | Confident | 77 Ų | 77 | 60.3 Ų | 60.3 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 147.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K135 C136 | A133-K135 PolarHBondContact O-N 3.31Å; A133-C136 WeakPolarHBondContact O-CB 3.14Å; A133-C136 PolarHBondContact O-N 2.81Å |
| 134 | S | 68 | Low | 81.7 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 42% | 0.42 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.2 | -169.4 | -56 | 0 | 0 | 0 | 0 | 113.2 | C136 T256 | S134-C136 VanDerWaalsContact C-N 3.3Å; S134-C136 PolarHBondContact O-N 2.85Å; S134-T256 CarbonylContact C-O 3.53Å; S134-T256 WeakPolarHBondContact CA-O 3.13Å; S134-T256 WeakPolarHBondContact CB-O 3.47Å |
| 135 | K | 62.8 | Low | 81.9 | Confident | 101 Ų | 101 | 55 Ų | 55 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 27.1 | -179.3 | -52.6 | 172.2 | -176.6 | 173.2 | 0 | 114.4 | A133 T256 Y257 E261 | A133-K135 PolarHBondContact O-N 3.31Å; K135-T256 WeakPolarHBondContact CA-OG1 3.43Å; K135-T256 PolarHBondContact N-O 2.92Å; K135-T256 PolarHBondContact N-OG1 3.41Å; K135-T256 VanDerWaalsContact N-OG1 3.12Å; K135-Y257 HydrophobicContact CG-CD1 4.05Å; K135-Y257 HydrophobicContact CG-CG 4.39Å; K135-E261 IonicContact NZ-OE2 3.38Å |
| 136 | C | 60.2 | Low | 82 | Confident | 60 Ų | 60 | 53.8 Ų | 53.8 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | trans | -74.1 | 144.8 | 174.9 | -169.7 | 0 | 0 | 0 | 0 | 112 | P132 A133 S134 N138 | P132-C136 HydrophobicContact CB-CB 4.2Å; A133-C136 WeakPolarHBondContact O-CB 3.14Å; A133-C136 PolarHBondContact O-N 2.81Å; S134-C136 VanDerWaalsContact C-N 3.3Å; S134-C136 PolarHBondContact O-N 2.85Å; C136-N138 PolarHBondContact O-N 2.82Å | ||
| 137 | E | 55.4 | Low | 82.1 | Confident | 185 Ų | 185 | 52.1 Ų | 52.1 | 86% | 0.864 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -67.1 | -15 | -177.4 | -60.6 | -175.7 | 141.6 | 0 | 0 | 114.4 | P139 | E137-P139 WeakPolarHBondContact O-CD 3.48Š|
| 138 | N | 65.8 | Low | 82.3 | Confident | 129 Ų | 129 | 52.1 Ų | 52.1 | 69% | 0.69 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -103.8 | 89 | 174.6 | -71.7 | -36.3 | 0 | 0 | 0 | 110.2 | P132 C136 | P132-N138 WeakPolarHBondContact CG-O 3.42Å; C136-N138 PolarHBondContact O-N 2.82Å |
| 139 | P | 74.8 | Confident | 82.6 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 168.5 | 171.9 | 30.4 | -36.3 | 0 | 0 | 0 | 111.5 | E137 T256 | E137-P139 WeakPolarHBondContact O-CD 3.48Å; P139-T256 HydrophobicContact CB-CG2 4.39Å |
| 140 | L | 84.8 | Confident | 83 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 140.6 | 175 | -75.3 | 161.4 | 0 | 0 | 0 | 111 | L131 P132 S142 I144 I145 L253 L328 | L131-L140 HydrophobicContact CD2-CD1 3.68Å; P132-L140 HydrophobicContact CG-CD2 4.5Å; P132-L140 HydrophobicContact CG-CG 4.12Å; L140-S142 PolarHBondContact O-N 3.25Å; L140-I144 HydrophobicContact CD2-CG2 4.36Å; L140-I145 HydrophobicContact CB-CD1 4.2Å; L140-I145 HydrophobicContact CB-CG1 3.78Å; L140-L253 HydrophobicContact CD1-CD2 4.14Å; L140-L328 HydrophobicContact CD2-CD2 4.14Å |
| 141 | P | 89.3 | Confident | 83.5 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -57.6 | 139.9 | 172.4 | -23.4 | 33.9 | 0 | 0 | 0 | 111 | N143 I144 I145 L328 | P141-N143 PolarHBondContact O-N 3.02Å; P141-N143 VanDerWaalsContact O-N 3.14Å; P141-I144 HydrophobicContact CB-CG1 4.14Å; P141-I144 HydrophobicContact CG-CG1 4.33Å; P141-I144 WeakPolarHBondContact O-CA 3.38Å; P141-I144 WeakPolarHBondContact O-CB 3.43Å; P141-I144 PolarHBondContact O-N 3.04Å; P141-I145 PolarHBondContact O-N 3.04Å; P141-L328 HydrophobicContact CG-CD2 4Å |
| 142 | S | 91.3 | Very high | 84 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.8 | -39 | -170.6 | -156 | 0 | 0 | 0 | 0 | 112.9 | L140 I144 I145 L146 E282 N283 F286 R318 | L140-S142 PolarHBondContact O-N 3.25Å; S142-I144 VanDerWaalsContact C-N 3.31Å; S142-I144 PolarHBondContact O-N 3.22Å; S142-I145 WeakPolarHBondContact O-CB 3.21Å; S142-I145 PolarHBondContact O-N 2.99Å; S142-L146 PolarHBondContact O-N 2.85Å; S142-E282 WeakPolarHBondContact CB-OE1 3.21Å; S142-E282 PolarHBondContact OG-O 2.73Å; S142-N283 WeakPolarHBondContact CA-OD1 3.2Å; S142-N283 WeakPolarHBondContact CB-OD1 3.28Å; S142-N283 PolarHBondContact OG-OD1 3.15Å; S142-F286 WeakPolarHBondContact O-CE2 3.29Å; S142-F286 WeakPolarHBondContact O-CZ 3.21Å; S142-F286 WeakPolarHBondContact OG-CE2 3.24Å; S142-R318 PolarHBondContact OG-NH1 3.07Å |
| 143 | N | 93 | Very high | 84.9 | Confident | 58 Ų | 58 | 41.3 Ų | 41.3 | 31% | 0.31 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69 | -26.5 | 178.6 | -61.8 | -6.3 | 0 | 0 | 0 | 113.2 | P141 Q147 R318 V320 | P141-N143 PolarHBondContact O-N 3.02Å; P141-N143 VanDerWaalsContact O-N 3.14Å; N143-Q147 WeakPolarHBondContact O-CG 3.46Å; N143-Q147 PolarHBondContact O-N 3.43Å; N143-R318 PolarHBondContact OD1-NH1 2.97Å; N143-V320 HydrophobicContact CB-CG1 4.33Å; N143-V320 HydrophobicContact CB-CG2 3.77Å; N143-V320 WeakPolarHBondContact ND2-CG2 3.21Å |
| 144 | I | 93.2 | Very high | 86.2 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -77.6 | -37.9 | 175.2 | -58.1 | -60.7 | 0 | 0 | 0 | 110.6 | L140 P141 S142 L146 Q147 I148 I326 L328 | L140-I144 HydrophobicContact CD2-CG2 4.36Å; P141-I144 HydrophobicContact CB-CG1 4.14Å; P141-I144 HydrophobicContact CG-CG1 4.33Å; P141-I144 WeakPolarHBondContact O-CA 3.38Å; P141-I144 WeakPolarHBondContact O-CB 3.43Å; P141-I144 PolarHBondContact O-N 3.04Å; S142-I144 VanDerWaalsContact C-N 3.31Å; S142-I144 PolarHBondContact O-N 3.22Å; I144-L146 VanDerWaalsContact C-N 3.29Å; I144-L146 PolarHBondContact O-N 3.28Å; I144-Q147 PolarHBondContact O-N 3.07Å; I144-I148 HydrophobicContact CG2-CD1 3.84Å; I144-I148 HydrophobicContact CG2-CG1 4.4Å; I144-I148 WeakPolarHBondContact O-CB 3.44Å; I144-I148 VanDerWaalsContact O-CG1 3.26Å; I144-I148 WeakPolarHBondContact O-CG1 3.49Å; I144-I148 PolarHBondContact O-N 3.29Å; I144-I326 HydrophobicContact CD1-CG2 3.99Å; I144-I326 HydrophobicContact CG2-CG2 3.91Å; I144-L328 HydrophobicContact CD1-CB 3.69Å; I144-L328 HydrophobicContact CG1-CB 3.87Å; I144-L328 HydrophobicContact CG1-CD2 3.97Å; I144-L328 HydrophobicContact CG2-CD2 4.34Å |
| 145 | I | 94.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 170.2 | -60.9 | 169.4 | 0 | 0 | 0 | 109.5 | L140 P141 S142 I148 F149 L250 L253 F286 | L140-I145 HydrophobicContact CB-CD1 4.2Å; L140-I145 HydrophobicContact CB-CG1 3.78Å; P141-I145 PolarHBondContact O-N 3.04Å; S142-I145 WeakPolarHBondContact O-CB 3.21Å; S142-I145 PolarHBondContact O-N 2.99Å; I145-I148 PolarHBondContact O-N 2.87Å; I145-F149 VanDerWaalsContact O-CB 3.25Å; I145-F149 WeakPolarHBondContact O-CB 3.43Å; I145-F149 PolarHBondContact O-N 3.32Å; I145-L250 HydrophobicContact CG2-CD1 3.73Å; I145-L253 WeakPolarHBondContact CD1-O 3.35Å; I145-L253 HydrophobicContact CG1-CB 4.37Å; I145-L253 HydrophobicContact CG2-CB 3.99Å; I145-F286 HydrophobicContact CB-CD2 4.38Å; I145-F286 HydrophobicContact CB-CE2 3.76Å; I145-F286 HydrophobicContact CB-CZ 4.1Å; I145-F286 HydrophobicContact CD1-CD2 4.33Å; I145-F286 HydrophobicContact CD1-CE2 4.17Å; I145-F286 HydrophobicContact CG2-CD2 3.89Å; I145-F286 HydrophobicContact CG2-CE1 4.39Å; I145-F286 HydrophobicContact CG2-CE2 3.69Å; I145-F286 HydrophobicContact CG2-CG 4.33Å; I145-F286 HydrophobicContact CG2-CZ 3.99Å |
| 146 | L | 96 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.5 | -49.2 | 177.8 | -174.5 | 52.3 | 0 | 0 | 0 | 112.6 | S142 I144 F149 H150 F286 L311 L314 A315 V320 V322 | S142-L146 PolarHBondContact O-N 2.85Å; I144-L146 VanDerWaalsContact C-N 3.29Å; I144-L146 PolarHBondContact O-N 3.28Å; L146-F149 PolarHBondContact O-N 3.1Å; L146-H150 WeakPolarHBondContact O-CB 3.38Å; L146-H150 PolarHBondContact O-N 3.18Å; L146-F286 HydrophobicContact CB-CE1 4.34Å; L146-F286 HydrophobicContact CB-CZ 3.99Å; L146-F286 HydrophobicContact CD1-CE1 4.31Å; L146-L311 HydrophobicContact CD1-CB 4.16Å; L146-L311 HydrophobicContact CD1-CD2 3.64Å; L146-L311 HydrophobicContact CD1-CG 4.49Å; L146-L314 HydrophobicContact CD1-CD2 4.33Å; L146-L314 HydrophobicContact CD2-CG 4.26Å; L146-A315 HydrophobicContact CD2-CB 4.02Å; L146-V320 HydrophobicContact CD2-CB 4.37Å; L146-V320 HydrophobicContact CD2-CG1 4.41Å; L146-V322 HydrophobicContact CD1-CG1 4.44Å; L146-V322 HydrophobicContact CD2-CG1 4.29Å; L146-V322 HydrophobicContact CG-CG1 3.79Å |
| 147 | Q | 96.2 | Very high | 91.2 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 10% | 0.098 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.8 | -49.9 | 177 | -78.2 | -179.7 | -30.6 | 0 | 0 | 112.4 | N143 I144 Q151 V320 Q321 I326 | N143-Q147 WeakPolarHBondContact O-CG 3.46Å; N143-Q147 PolarHBondContact O-N 3.43Å; I144-Q147 PolarHBondContact O-N 3.07Å; Q147-Q151 WeakPolarHBondContact O-CB 3.44Å; Q147-Q151 VanDerWaalsContact O-CG 3.31Å; Q147-Q151 WeakPolarHBondContact O-CG 3.49Å; Q147-Q151 PolarHBondContact O-N 2.91Å; Q147-V320 HydrophobicContact CG-CG1 4.05Å; Q147-Q321 PolarHBondContact NE2-O 3.46Å; Q147-I326 HydrophobicContact CB-CD1 4.14Å; Q147-I326 HydrophobicContact CB-CG1 4.11Å; Q147-I326 HydrophobicContact CB-CG2 4.4Å |
| 148 | I | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.9 | -50.1 | 179 | -68 | 167 | 0 | 0 | 0 | 110.6 | L127 I144 I145 Q151 C152 I184 L253 I326 L329 | L127-I148 HydrophobicContact CD1-CD1 4.18Å; L127-I148 HydrophobicContact CD2-CG2 3.6Å; I144-I148 HydrophobicContact CG2-CD1 3.84Å; I144-I148 HydrophobicContact CG2-CG1 4.4Å; I144-I148 WeakPolarHBondContact O-CB 3.44Å; I144-I148 VanDerWaalsContact O-CG1 3.26Å; I144-I148 WeakPolarHBondContact O-CG1 3.49Å; I144-I148 PolarHBondContact O-N 3.29Å; I145-I148 PolarHBondContact O-N 2.87Å; I148-Q151 PolarHBondContact O-N 3.48Å; I148-C152 WeakPolarHBondContact O-CB 3.4Å; I148-C152 PolarHBondContact O-N 3.31Å; I148-I184 HydrophobicContact CG2-CD1 4.28Å; I148-I184 HydrophobicContact CG2-CG1 4.49Å; I148-L253 HydrophobicContact CB-CD1 4.29Å; I148-L253 HydrophobicContact CD1-CD2 4.21Å; I148-L253 HydrophobicContact CG2-CD1 3.66Å; I148-L253 HydrophobicContact CG2-CD2 4.12Å; I148-I326 HydrophobicContact CG1-CD1 3.83Å; I148-L329 HydrophobicContact CD1-CD1 4.26Å; I148-L329 HydrophobicContact CG1-CD1 4.3Å |
| 149 | F | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -73.9 | -39.4 | -171.1 | -168.8 | -115.1 | 0 | 0 | 0 | 112.6 | I145 L146 Q151 C152 C153 L246 I249 L250 L253 L289 L293 I307 L311 | I145-F149 VanDerWaalsContact O-CB 3.25Å; I145-F149 WeakPolarHBondContact O-CB 3.43Å; I145-F149 PolarHBondContact O-N 3.32Å; L146-F149 PolarHBondContact O-N 3.1Å; F149-Q151 PolarHBondContact O-N 3.04Å; F149-C152 WeakPolarHBondContact O-CB 3.45Å; F149-C152 PolarHBondContact O-N 3.5Å; F149-C153 VanDerWaalsContact CE1-SG 3.6Å; F149-C153 WeakPolarHBondContact O-CB 3.19Å; F149-C153 PolarHBondContact O-N 3.23Å; F149-C153 PolarHBondContact O-SG 2.88Å; F149-L246 HydrophobicContact CE2-CB 3.98Å; F149-L246 HydrophobicContact CE2-CD2 3.86Å; F149-L246 HydrophobicContact CE2-CG 4.49Å; F149-L246 VanDerWaalsContact CE2-O 3.3Å; F149-L246 WeakPolarHBondContact CE2-O 3.45Å; F149-L246 HydrophobicContact CZ-CB 3.98Å; F149-L246 HydrophobicContact CZ-CD2 4.4Å; F149-I249 HydrophobicContact CD2-CG2 3.92Å; F149-I249 HydrophobicContact CE2-CG2 4.06Å; F149-L250 HydrophobicContact CB-CD1 4.27Å; F149-L250 HydrophobicContact CD1-CB 4.49Å; F149-L250 HydrophobicContact CD1-CD1 3.91Å; F149-L250 HydrophobicContact CD1-CD2 4.13Å; F149-L250 HydrophobicContact CD1-CG 4.4Å; F149-L250 HydrophobicContact CD2-CB 4.07Å; F149-L250 HydrophobicContact CD2-CD1 4.33Å; F149-L250 HydrophobicContact CE1-CB 4.2Å; F149-L250 HydrophobicContact CE1-CD1 4.34Å; F149-L250 HydrophobicContact CE1-CD2 3.78Å; F149-L250 HydrophobicContact CE1-CG 4.33Å; F149-L250 HydrophobicContact CE2-CB 3.76Å; F149-L250 HydrophobicContact CG-CB 4.43Å; F149-L250 HydrophobicContact CG-CD1 3.91Å; F149-L250 HydrophobicContact CZ-CB 3.83Å; F149-L250 HydrophobicContact CZ-CD2 4.15Å; F149-L250 HydrophobicContact CZ-CG 4.45Å; F149-L253 HydrophobicContact CB-CD1 4.37Å; F149-L289 HydrophobicContact CE1-CD2 4.08Å; F149-L293 HydrophobicContact CE1-CD1 4.32Å; F149-L293 HydrophobicContact CZ-CD1 3.87Å; F149-I307 HydrophobicContact CE1-CG2 4.23Å; F149-L311 HydrophobicContact CD1-CD1 3.63Å; F149-L311 HydrophobicContact CD1-CD2 3.93Å; F149-L311 HydrophobicContact CD1-CG 4.42Å; F149-L311 HydrophobicContact CE1-CD1 3.93Å; F149-L311 HydrophobicContact CE1-CD2 4.48Å |
| 150 | H | 98 | Very high | 95.9 | Very high | 12 Ų | 12 | 18.7 Ų | 18.7 | 6% | 0.056 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 173.3 | 174.7 | -95.4 | 0 | 0 | 0 | 111.7 | L146 C152 C153 R154 L308 L311 V322 | L146-H150 WeakPolarHBondContact O-CB 3.38Å; L146-H150 PolarHBondContact O-N 3.18Å; H150-C152 PolarHBondContact O-N 3.48Å; H150-C153 PolarHBondContact O-N 3.33Å; H150-R154 WeakPolarHBondContact O-CG 3.46Å; H150-R154 PolarHBondContact O-N 3.46Å; H150-L308 VanDerWaalsContact CD2-CD2 3.46Å; H150-L308 WeakPolarHBondContact CD2-CD2 3.46Å; H150-L311 HydrophobicContact CB-CD1 4.5Å; H150-V322 HydrophobicContact CB-CB 4.09Å; H150-V322 HydrophobicContact CB-CG1 4.27Å; H150-V322 VanDerWaalsContact CE1-CG2 3.49Å; H150-V322 WeakPolarHBondContact CE1-CG2 3.29Å; H150-V322 WeakPolarHBondContact ND1-CB 3.12Å; H150-V322 WeakPolarHBondContact ND1-CG2 3.44Å |
| 151 | Q | 98.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.3 | -36.9 | 178.2 | -69.9 | -175.4 | 25.6 | 0 | 0 | 112.7 | N93 Q147 I148 F149 G155 I184 V322 G324 | N93-Q151 VanDerWaalsContact CB-O 3.25Å; N93-Q151 WeakPolarHBondContact CB-O 3.43Å; N93-Q151 VanDerWaalsContact CG-O 3.29Å; Q147-Q151 WeakPolarHBondContact O-CB 3.44Å; Q147-Q151 VanDerWaalsContact O-CG 3.31Å; Q147-Q151 WeakPolarHBondContact O-CG 3.49Å; Q147-Q151 PolarHBondContact O-N 2.91Å; I148-Q151 PolarHBondContact O-N 3.48Å; F149-Q151 PolarHBondContact O-N 3.04Å; Q151-G155 PolarHBondContact O-N 3.47Å; Q151-I184 HydrophobicContact CB-CB 3.82Å; Q151-I184 HydrophobicContact CB-CG1 4.24Å; Q151-I184 HydrophobicContact CB-CG2 4.47Å; Q151-V322 WeakPolarHBondContact CG-O 3.23Å; Q151-V322 PolarHBondContact NE2-O 3.46Å; Q151-G324 PolarHBondContact NE2-O 2.52Å |
| 152 | C | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | I148 F149 H150 R154 G155 V156 L176 L246 | I148-C152 WeakPolarHBondContact O-CB 3.4Å; I148-C152 PolarHBondContact O-N 3.31Å; F149-C152 WeakPolarHBondContact O-CB 3.45Å; F149-C152 PolarHBondContact O-N 3.5Å; H150-C152 PolarHBondContact O-N 3.48Å; C152-R154 VanDerWaalsContact C-N 3.33Å; C152-R154 PolarHBondContact O-N 3.22Å; C152-G155 WeakPolarHBondContact O-CA 3.25Å; C152-G155 PolarHBondContact O-N 3.37Å; C152-V156 PolarHBondContact O-N 3.21Å; C152-L176 HydrophobicContact CB-CD2 4.26Å; C152-L246 VanDerWaalsContact SG-CD2 3.59Å |
| 153 | C | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.2 | -36 | 179.1 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | F149 H150 G155 V156 Q157 I304 L308 L311 | F149-C153 VanDerWaalsContact CE1-SG 3.6Å; F149-C153 WeakPolarHBondContact O-CB 3.19Å; F149-C153 PolarHBondContact O-N 3.23Å; F149-C153 PolarHBondContact O-SG 2.88Å; H150-C153 PolarHBondContact O-N 3.33Å; C153-G155 VanDerWaalsContact C-N 3.32Å; C153-G155 PolarHBondContact O-N 3.42Å; C153-V156 PolarHBondContact O-N 3.25Å; C153-Q157 WeakPolarHBondContact O-CB 3.42Å; C153-Q157 PolarHBondContact O-N 2.91Å; C153-I304 HydrophobicContact CB-CD1 3.87Å; C153-L308 HydrophobicContact CB-CD2 3.6Å; C153-L308 HydrophobicContact CB-CG 3.98Å; C153-L311 HydrophobicContact CB-CD1 4.36Å |
| 154 | R | 98.3 | Very high | 97.1 | Very high | 96 Ų | 96 | 27.2 Ų | 27.2 | 36% | 0.362 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 172.3 | -75.2 | -74.4 | -73.1 | 163.3 | -8.9 | 112.3 | H91 H150 C152 H158 L308 | H91-R154 PolarHBondContact CE1-O 2.96Å; H150-R154 WeakPolarHBondContact O-CG 3.46Å; H150-R154 PolarHBondContact O-N 3.46Å; C152-R154 VanDerWaalsContact C-N 3.33Å; C152-R154 PolarHBondContact O-N 3.22Å; R154-H158 PolarHBondContact O-N 3.05Å; R154-L308 HydrophobicContact CG-CD1 4.4Å; R154-L308 HydrophobicContact CG-CD2 3.92Å |
| 155 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.3 | -50 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q151 C152 C153 Q157 H158 M159 | Q151-G155 PolarHBondContact O-N 3.47Å; C152-G155 WeakPolarHBondContact O-CA 3.25Å; C152-G155 PolarHBondContact O-N 3.37Å; C153-G155 VanDerWaalsContact C-N 3.32Å; C153-G155 PolarHBondContact O-N 3.42Å; G155-Q157 VanDerWaalsContact C-N 3.33Å; G155-Q157 PolarHBondContact O-N 2.91Å; G155-H158 PolarHBondContact O-N 3.26Å; G155-M159 PolarHBondContact O-N 3.33Å |
| 156 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -37.8 | 177.4 | -179 | 0 | 0 | 0 | 0 | 111.8 | C152 C153 H158 M159 H160 L171 L186 D242 L246 I304 | C152-V156 PolarHBondContact O-N 3.21Å; C153-V156 PolarHBondContact O-N 3.25Å; V156-H158 VanDerWaalsContact C-N 3.31Å; V156-H158 PolarHBondContact O-N 2.99Å; V156-M159 WeakPolarHBondContact O-CB 3.33Å; V156-M159 PolarHBondContact O-N 2.99Å; V156-H160 WeakPolarHBondContact CG1-CE1 3.36Å; V156-H160 WeakPolarHBondContact CG1-NE2 3.34Å; V156-H160 PolarHBondContact O-N 3.43Å; V156-L171 HydrophobicContact CG2-CD1 3.74Å; V156-L171 HydrophobicContact CG2-CD2 4.06Å; V156-L186 HydrophobicContact CG2-CD1 3.84Å; V156-D242 HydrophobicContact CG1-CB 4.46Å; V156-L246 HydrophobicContact CB-CD1 4.32Å; V156-L246 HydrophobicContact CG1-CD1 4.2Å; V156-L246 HydrophobicContact CG2-CD1 4.16Å; V156-L246 HydrophobicContact CG2-CD2 4.19Å; V156-L246 HydrophobicContact CG2-CG 4.46Å; V156-I304 HydrophobicContact CB-CD1 4.04Å; V156-I304 HydrophobicContact CB-CG1 4.21Å; V156-I304 HydrophobicContact CG1-CD1 4.03Å; V156-I304 HydrophobicContact CG1-CG1 4.11Å |
| 157 | Q | 98.5 | Very high | 97.6 | Very high | 38 Ų | 38 | 29.1 Ų | 29.1 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.6 | -45.5 | 175.1 | -176.2 | -175.9 | 43.3 | 0 | 0 | 111.3 | C153 G155 M159 H160 S161 I304 N305 L308 | C153-Q157 WeakPolarHBondContact O-CB 3.42Å; C153-Q157 PolarHBondContact O-N 2.91Å; G155-Q157 VanDerWaalsContact C-N 3.33Å; G155-Q157 PolarHBondContact O-N 2.91Å; Q157-M159 PolarHBondContact O-N 3.06Å; Q157-H160 PolarHBondContact O-N 3.47Å; Q157-S161 VanDerWaalsContact O-CB 3.27Å; Q157-S161 WeakPolarHBondContact O-CB 3.48Å; Q157-S161 PolarHBondContact O-N 2.71Å; Q157-S161 PolarHBondContact O-OG 3.21Å; Q157-I304 HydrophobicContact CB-CG1 3.97Å; Q157-I304 HydrophobicContact CB-CG2 4.19Å; Q157-I304 HydrophobicContact CG-CG2 4.28Å; Q157-N305 PolarHBondContact NE2-OD1 2.91Å; Q157-L308 HydrophobicContact CB-CD1 3.68Å; Q157-L308 HydrophobicContact CG-CD1 3.95Å; Q157-L308 VanDerWaalsContact OE1-CD1 3.28Å |
| 158 | H | 98.4 | Very high | 97.7 | Very high | 44 Ų | 44 | 28.1 Ų | 28.1 | 20% | 0.204 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.1 | -26.8 | 178.3 | -173.7 | 70.3 | 0 | 0 | 0 | 113.4 | H91 R154 G155 V156 S161 Q162 | H91-H158 HydrophobicContact CB-CB 4.28Å; H91-H158 AromaticContact CD2-CG 3.9Å; H91-H158 AromaticContact CD2-ND1 3.96Å; H91-H158 AromaticContact CG-CG 3.67Å; R154-H158 PolarHBondContact O-N 3.05Å; G155-H158 PolarHBondContact O-N 3.26Å; V156-H158 VanDerWaalsContact C-N 3.31Å; V156-H158 PolarHBondContact O-N 2.99Å; H158-S161 PolarHBondContact O-OG 2.87Å; H158-Q162 WeakPolarHBondContact O-CG 3.3Å; H158-Q162 PolarHBondContact O-NE2 2.9Å |
| 159 | M | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -77.9 | -44.5 | 173.6 | -59.5 | 178.9 | 65.1 | 0 | 0 | 111.8 | L88 I94 G155 V156 Q157 S161 Q162 V166 H168 L186 F189 | L88-M159 HydrophobicContact CD1-CE 4.19Å; L88-M159 HydrophobicContact CD1-CG 3.95Å; L88-M159 HydrophobicContact CD2-CB 4.34Å; L88-M159 HydrophobicContact CD2-CG 4Å; I94-M159 HydrophobicContact CD1-CG 4.06Å; I94-M159 HydrophobicContact CD1-SD 4.33Å; G155-M159 PolarHBondContact O-N 3.33Å; V156-M159 WeakPolarHBondContact O-CB 3.33Å; V156-M159 PolarHBondContact O-N 2.99Å; Q157-M159 PolarHBondContact O-N 3.06Å; M159-S161 VanDerWaalsContact C-N 3.32Å; M159-S161 PolarHBondContact O-N 2.82Å; M159-Q162 WeakPolarHBondContact O-CB 3.25Å; M159-Q162 VanDerWaalsContact O-CG 3.26Å; M159-Q162 WeakPolarHBondContact O-CG 3.49Å; M159-Q162 PolarHBondContact O-N 3.05Å; M159-V166 CarbonylContact C-O 3.35Å; M159-V166 HydrophobicContact CB-CB 4.25Å; M159-V166 WeakPolarHBondContact CB-O 3.47Å; M159-V166 HydrophobicContact CE-CB 4.41Å; M159-V166 HydrophobicContact CE-CG1 3.75Å; M159-V166 PolarHBondContact O-N 3.38Å; M159-H168 HydrophobicContact CE-CB 3.58Å; M159-H168 HydrophobicContact SD-CB 4.21Å; M159-L186 HydrophobicContact SD-CD1 4.33Å; M159-F189 HydrophobicContact CE-CD1 3.94Å; M159-F189 HydrophobicContact CE-CE1 3.75Å; M159-F189 HydrophobicContact SD-CE1 3.82Å |
| 160 | H | 98.3 | Very high | 97.5 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 12% | 0.12 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.5 | -23 | -178.7 | -68.9 | -169.8 | 0 | 0 | 0 | 112.7 | V156 Q157 Q162 V166 T239 D242 I304 | V156-H160 WeakPolarHBondContact CG1-CE1 3.36Å; V156-H160 WeakPolarHBondContact CG1-NE2 3.34Å; V156-H160 PolarHBondContact O-N 3.43Å; Q157-H160 PolarHBondContact O-N 3.47Å; H160-Q162 VanDerWaalsContact C-N 3.27Å; H160-Q162 PolarHBondContact O-N 3.34Å; H160-V166 PolarHBondContact CD2-O 3.4Å; H160-T239 HydrophobicContact CB-CG2 4.18Å; H160-T239 VanDerWaalsContact CD2-CG2 3.5Å; H160-T239 WeakPolarHBondContact CD2-CG2 3.21Å; H160-T239 PolarHBondContact CE1-O 2.89Å; H160-D242 IonicContact CD2-OD2 3.83Å; H160-D242 IonicContact CE1-OD2 3.55Å; H160-D242 IonicContact NE2-OD2 3.45Å; H160-D242 PolarHBondContact NE2-OD2 3.16Å; H160-I304 HydrophobicContact CB-CG2 4.05Å |
| 161 | S | 97.4 | Very high | 97.5 | Very high | 82 Ų | 82 | 29 Ų | 29 | 57% | 0.573 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0 | 174.5 | 71.6 | 0 | 0 | 0 | 0 | 114.6 | Q157 H158 M159 | Q157-S161 VanDerWaalsContact O-CB 3.27Å; Q157-S161 WeakPolarHBondContact O-CB 3.48Å; Q157-S161 PolarHBondContact O-N 2.71Å; Q157-S161 PolarHBondContact O-OG 3.21Å; H158-S161 PolarHBondContact O-OG 2.87Å; M159-S161 VanDerWaalsContact C-N 3.32Å; M159-S161 PolarHBondContact O-N 2.82Å |
| 162 | Q | 97.3 | Very high | 97.4 | Very high | 37 Ų | 37 | 30.4 Ų | 30.4 | 17% | 0.173 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -71.5 | 160.8 | 176.1 | -61.8 | -61 | -44.4 | 0 | 0 | 111.5 | L88 H158 M159 H160 P164 P165 V166 | L88-Q162 HydrophobicContact CD2-CG 3.69Å; H158-Q162 WeakPolarHBondContact O-CG 3.3Å; H158-Q162 PolarHBondContact O-NE2 2.9Å; M159-Q162 WeakPolarHBondContact O-CB 3.25Å; M159-Q162 VanDerWaalsContact O-CG 3.26Å; M159-Q162 WeakPolarHBondContact O-CG 3.49Å; M159-Q162 PolarHBondContact O-N 3.05Å; H160-Q162 VanDerWaalsContact C-N 3.27Å; H160-Q162 PolarHBondContact O-N 3.34Å; Q162-P164 VanDerWaalsContact C-C 3.43Å; Q162-P164 CarbonylContact C-O 3.57Å; Q162-P164 VanDerWaalsContact C-O 3.3Å; Q162-P164 VanDerWaalsContact CB-O 3.27Å; Q162-P164 WeakPolarHBondContact CB-O 3.49Å; Q162-P164 CarbonylContact O-C 3.55Å; Q162-P165 VanDerWaalsContact O-CA 3.31Å; Q162-P165 WeakPolarHBondContact O-CA 3.4Å; Q162-P165 WeakPolarHBondContact O-CD 3.48Å; Q162-V166 HydrophobicContact CB-CG2 4.03Å; Q162-V166 HydrophobicContact CG-CG2 3.92Å |
| 163 | C | 93.7 | Very high | 97.2 | Very high | 124 Ų | 124 | 30.6 Ų | 30.6 | 84% | 0.838 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -127.3 | 105.4 | 173.3 | -176 | 0 | 0 | 0 | 0 | 110.3 | ||
| 164 | P | 94.7 | Very high | 96.9 | Very high | 71 Ų | 71 | 33.8 Ų | 33.8 | 46% | 0.461 | 19% | 0.185 | S | C | . | . | S | Bend | cis | -66.1 | 156.4 | -5.2 | 29.6 | -36.5 | 0 | 0 | 0 | 113 | Q162 T194 | Q162-P164 VanDerWaalsContact C-C 3.43Å; Q162-P164 CarbonylContact C-O 3.57Å; Q162-P164 VanDerWaalsContact C-O 3.3Å; Q162-P164 VanDerWaalsContact CB-O 3.27Å; Q162-P164 WeakPolarHBondContact CB-O 3.49Å; Q162-P164 CarbonylContact O-C 3.55Å; P164-T194 HydrophobicContact CG-CG2 3.93Å |
| 165 | P | 97.4 | Very high | 96.8 | Very high | 51 Ų | 51 | 29.8 Ų | 29.8 | 33% | 0.331 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 141.8 | 176.5 | -26.8 | 36.1 | 0 | 0 | 0 | 112.5 | Q162 T194 T239 | Q162-P165 VanDerWaalsContact O-CA 3.31Å; Q162-P165 WeakPolarHBondContact O-CA 3.4Å; Q162-P165 WeakPolarHBondContact O-CD 3.48Å; P165-T194 WeakPolarHBondContact O-CA 3.34Å; P165-T239 HydrophobicContact CB-CG2 4Å |
| 166 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -98 | 124.3 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | L84 L88 M159 H160 Q162 A192 T194 | L84-V166 HydrophobicContact CD1-CG1 4.06Å; L84-V166 HydrophobicContact CD2-CG1 4.02Å; L84-V166 HydrophobicContact CD2-CG2 3.87Å; L88-V166 HydrophobicContact CD1-CG1 4.34Å; L88-V166 HydrophobicContact CD2-CG2 4.4Å; M159-V166 CarbonylContact C-O 3.35Å; M159-V166 HydrophobicContact CB-CB 4.25Å; M159-V166 WeakPolarHBondContact CB-O 3.47Å; M159-V166 HydrophobicContact CE-CB 4.41Å; M159-V166 HydrophobicContact CE-CG1 3.75Å; M159-V166 PolarHBondContact O-N 3.38Å; H160-V166 PolarHBondContact CD2-O 3.4Å; Q162-V166 HydrophobicContact CB-CG2 4.03Å; Q162-V166 HydrophobicContact CG-CG2 3.92Å; V166-A192 HydrophobicContact CG1-CB 4.27Å; V166-T194 HydrophobicContact CG2-CG2 3.92Å |
| 167 | I | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -100.4 | 129 | 176.6 | -52.6 | 154.9 | 0 | 0 | 0 | 107.3 | R169 A192 T193 I195 T239 D242 | I167-R169 HydrophobicContact CB-CG 4.45Å; I167-R169 HydrophobicContact CG2-CG 3.81Å; I167-A192 CarbonylContact O-C 3.3Å; I167-A192 VanDerWaalsContact O-CA 3.23Å; I167-A192 WeakPolarHBondContact O-CA 3.17Å; I167-A192 WeakPolarHBondContact O-CB 3.41Å; I167-T193 HydrophobicContact CB-CG2 4.3Å; I167-T193 HydrophobicContact CD1-CG2 4.39Å; I167-T193 PolarHBondContact N-O 2.78Å; I167-T193 PolarHBondContact O-N 3.02Å; I167-I195 WeakPolarHBondContact CD1-O 3.25Å; I167-T239 HydrophobicContact CG1-CG2 4.01Å; I167-D242 WeakPolarHBondContact CA-OD2 3.34Å |
| 168 | H | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -78 | -34.5 | -175.2 | -162.9 | -39.2 | 0 | 0 | 0 | 112.7 | M159 D170 L171 C187 D242 | M159-H168 HydrophobicContact CE-CB 3.58Å; M159-H168 HydrophobicContact SD-CB 4.21Å; H168-D170 PolarHBondContact O-N 2.97Å; H168-L171 HydrophobicContact CB-CD2 4.16Å; H168-L171 HydrophobicContact CB-CG 3.91Å; H168-L171 WeakPolarHBondContact CD2-CD2 3.5Å; H168-C187 PolarHBondContact CE1-O 3.29Å; H168-C187 PolarHBondContact NE2-O 2.99Å; H168-D242 PolarHBondContact N-OD1 2.85Å; H168-D242 PolarHBondContact N-OD2 2.89Å | ||
| 169 | R | 95.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 27.9 Ų | 27.9 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 62.1 | -15.9 | -179.9 | -63.3 | -160.2 | -63.1 | -169.1 | -1.4 | 116.8 | I167 S191 T193 E214 T219 M228 D242 | I167-R169 HydrophobicContact CB-CG 4.45Å; I167-R169 HydrophobicContact CG2-CG 3.81Å; R169-S191 VanDerWaalsContact CZ-O 3.29Å; R169-S191 PolarHBondContact NE-O 3.38Å; R169-S191 PolarHBondContact NH2-O 2.73Å; R169-T193 HydrophobicContact CG-CG2 4.14Å; R169-E214 IonicContact CZ-OE1 3.26Å; R169-E214 IonicContact NH1-OE1 2.74Å; R169-E214 PolarHBondContact NH1-OE1 3.34Å; R169-E214 IonicContact NH2-OE1 2.86Å; R169-T219 HydrophobicContact CB-CG2 4.06Å; R169-T219 WeakPolarHBondContact O-CB 3.3Å; R169-T219 WeakPolarHBondContact O-CG2 3.49Å; R169-M228 HydrophobicContact CG-CE 4.49Å; R169-D242 PolarHBondContact N-OD1 2.9Å |
| 170 | D | 96.1 | Very high | 96 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | trans | -136.5 | 41.6 | -177 | -161.2 | 49 | 0 | 0 | 0 | 112.3 | H168 K172 N175 T220 | H168-D170 PolarHBondContact O-N 2.97Å; D170-K172 VanDerWaalsContact CG-NZ 3.31Å; D170-K172 PolarHBondContact O-N 3.37Å; D170-K172 IonicContact OD1-NZ 3.51Å; D170-K172 PolarHBondContact OD1-NZ 2.94Å; D170-K172 IonicContact OD2-NZ 2.6Å; D170-K172 PolarHBondContact OD2-NZ 3.21Å; D170-N175 PolarHBondContact O-ND2 3.48Å; D170-N175 PolarHBondContact OD2-ND2 2.86Å; D170-N175 VanDerWaalsContact OD2-ND2 3.08Å; D170-T220 VanDerWaalsContact OD1-CB 3.25Å; D170-T220 WeakPolarHBondContact OD1-CB 3.41Å; D170-T220 PolarHBondContact OD1-N 2.87Å; D170-T220 PolarHBondContact OD1-OG1 3.16Å | ||
| 171 | L | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | trans | -66.4 | 122.6 | 168.3 | -73.5 | 176 | 0 | 0 | 0 | 110.3 | V156 H168 L186 Y223 D242 A245 L246 I249 | V156-L171 HydrophobicContact CG2-CD1 3.74Å; V156-L171 HydrophobicContact CG2-CD2 4.06Å; H168-L171 HydrophobicContact CB-CD2 4.16Å; H168-L171 HydrophobicContact CB-CG 3.91Å; H168-L171 WeakPolarHBondContact CD2-CD2 3.5Å; L171-L186 HydrophobicContact CD2-CD1 4.26Å; L171-L186 HydrophobicContact CD2-CD2 3.35Å; L171-L186 HydrophobicContact CD2-CG 4.48Å; L171-Y223 VanDerWaalsContact O-CD1 3.32Å; L171-Y223 WeakPolarHBondContact O-CD1 3.34Å; L171-D242 HydrophobicContact CD1-CB 3.64Å; L171-A245 HydrophobicContact CB-CB 3.76Å; L171-L246 HydrophobicContact CD1-CD2 4.36Å; L171-L246 HydrophobicContact CD1-CG 4.09Å; L171-I249 HydrophobicContact CB-CD1 4.22Å | ||
| 172 | K | 95.5 | Very high | 95.5 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | trans | -159.3 | 162.9 | 175.9 | 60.6 | 175.9 | 179.7 | -103.6 | 0 | 110.9 | D170 E174 N175 T220 Y223 | D170-K172 VanDerWaalsContact CG-NZ 3.31Å; D170-K172 PolarHBondContact O-N 3.37Å; D170-K172 IonicContact OD1-NZ 3.51Å; D170-K172 PolarHBondContact OD1-NZ 2.94Å; D170-K172 IonicContact OD2-NZ 2.6Å; D170-K172 PolarHBondContact OD2-NZ 3.21Å; K172-E174 VanDerWaalsContact CB-OE2 3.31Å; K172-E174 WeakPolarHBondContact CB-OE2 3.43Å; K172-E174 HydrophobicContact CD-CB 4.31Å; K172-E174 WeakPolarHBondContact CD-OE2 3.39Å; K172-E174 HydrophobicContact CG-CB 4.37Å; K172-E174 WeakPolarHBondContact CG-OE2 3.47Å; K172-E174 PolarHBondContact O-N 3.44Å; K172-N175 WeakPolarHBondContact CE-OD1 3.23Å; K172-N175 HydrophobicContact CG-CB 4Å; K172-N175 PolarHBondContact NZ-ND2 3.48Å; K172-N175 PolarHBondContact O-N 3.43Å; K172-T220 HydrophobicContact CD-CG2 4.4Å; K172-T220 PolarHBondContact NZ-OG1 3.16Å; K172-Y223 HydrophobicContact CB-CD1 4.36Å; K172-Y223 HydrophobicContact CB-CD2 3.78Å; K172-Y223 HydrophobicContact CB-CE1 3.99Å; K172-Y223 HydrophobicContact CB-CE2 3.35Å; K172-Y223 HydrophobicContact CB-CG 4.26Å; K172-Y223 VanDerWaalsContact CB-CZ 3.46Å | ||
| 173 | I | 94.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -61.5 | -28.6 | -175.1 | -127.3 | 68.6 | 0 | 0 | 0 | 112.9 | L127 D128 L131 N175 L176 Y223 I249 Y252 L253 | L127-I173 HydrophobicContact CD2-CG1 4.35Å; D128-I173 HydrophobicContact CB-CG2 3.86Å; L131-I173 HydrophobicContact CD1-CG1 3.62Å; L131-I173 HydrophobicContact CD1-CG2 4.15Å; I173-N175 VanDerWaalsContact C-N 3.31Å; I173-L176 HydrophobicContact CD1-CD1 4.13Å; I173-L176 PolarHBondContact O-N 3.25Å; I173-Y223 PolarHBondContact N-OH 3.23Å; I173-I249 HydrophobicContact CD1-CB 4.12Å; I173-I249 HydrophobicContact CD1-CG1 3.95Å; I173-I249 HydrophobicContact CD1-CG2 3.66Å; I173-Y252 HydrophobicContact CG1-CD1 4.25Å; I173-L253 HydrophobicContact CD1-CD2 4.24Å; I173-L253 HydrophobicContact CD1-CG 4.22Å |
| 174 | E | 92.4 | Very high | 95.6 | Very high | 68 Ų | 68 | 26.7 Ų | 26.7 | 32% | 0.318 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -75.3 | -19.4 | 179.5 | -55.3 | 90.2 | 152 | 0 | 0 | 113.1 | Q126 K172 | Q126-E174 PolarHBondContact NE2-O 3.09Å; K172-E174 VanDerWaalsContact CB-OE2 3.31Å; K172-E174 WeakPolarHBondContact CB-OE2 3.43Å; K172-E174 HydrophobicContact CD-CB 4.31Å; K172-E174 WeakPolarHBondContact CD-OE2 3.39Å; K172-E174 HydrophobicContact CG-CB 4.37Å; K172-E174 WeakPolarHBondContact CG-OE2 3.47Å; K172-E174 PolarHBondContact O-N 3.44Å |
| 175 | N | 95.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 6% | 0.059 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -96.9 | 12.6 | 176.8 | -72 | -0.3 | 0 | 0 | 0 | 112.2 | D170 K172 I173 C187 | D170-N175 PolarHBondContact O-ND2 3.48Å; D170-N175 PolarHBondContact OD2-ND2 2.86Å; D170-N175 VanDerWaalsContact OD2-ND2 3.08Å; K172-N175 WeakPolarHBondContact CE-OD1 3.23Å; K172-N175 HydrophobicContact CG-CB 4Å; K172-N175 PolarHBondContact NZ-ND2 3.48Å; K172-N175 PolarHBondContact O-N 3.43Å; I173-N175 VanDerWaalsContact C-N 3.31Å; N175-C187 PolarHBondContact O-N 2.71Å; N175-C187 VanDerWaalsContact O-N 3.14Å; N175-C187 PolarHBondContact O-SG 2.92Å |
| 176 | L | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.1 | 169 | -61.1 | 175.3 | 0 | 0 | 0 | 109.4 | L127 C152 I173 I184 L186 | L127-L176 HydrophobicContact CB-CB 3.97Å; L127-L176 WeakPolarHBondContact CB-O 3.25Å; L127-L176 HydrophobicContact CD2-CB 4.08Å; L127-L176 HydrophobicContact CD2-CD1 3.78Å; L127-L176 PolarHBondContact N-O 2.88Å; C152-L176 HydrophobicContact CB-CD2 4.26Å; I173-L176 HydrophobicContact CD1-CD1 4.13Å; I173-L176 PolarHBondContact O-N 3.25Å; L176-I184 HydrophobicContact CD2-CG2 3.94Å; L176-L186 HydrophobicContact CD2-CD2 3.52Å; L176-L186 HydrophobicContact CD2-CG 4.09Å |
| 177 | L | 96.6 | Very high | 95.6 | Very high | 30 Ų | 30 | 22.4 Ų | 22.4 | 16% | 0.157 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 155.7 | 176.1 | -62.9 | 175.3 | 0 | 0 | 0 | 111.3 | L95 C122 G125 Q126 I184 K185 C187 | L95-L177 HydrophobicContact CD1-CD1 4.1Å; C122-L177 HydrophobicContact CB-CB 3.85Å; C122-L177 HydrophobicContact CB-CD1 4.18Å; G125-L177 CarbonylContact O-C 3.57Å; G125-L177 VanDerWaalsContact O-CA 3.28Å; G125-L177 WeakPolarHBondContact O-CA 3.05Å; Q126-L177 HydrophobicContact CB-CD2 4.34Å; Q126-L177 HydrophobicContact CG-CD2 3.61Å; L177-I184 CarbonylContact O-C 3.52Å; L177-I184 WeakPolarHBondContact O-CA 3.39Å; L177-K185 HydrophobicContact CB-CB 4.18Å; L177-K185 PolarHBondContact N-O 3.02Å; L177-K185 PolarHBondContact O-N 3.24Å; L177-C187 HydrophobicContact CD1-CB 3.76Å; L177-C187 HydrophobicContact CG-CB 4.26Å |
| 178 | L | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.2 | 174.5 | -73.8 | 160.5 | 0 | 0 | 0 | 110.2 | C122 G124 G125 L127 Y130 F182 I183 I184 L329 | C122-L178 CarbonylContact C-O 3.49Å; C122-L178 VanDerWaalsContact C-O 3.32Å; C122-L178 VanDerWaalsContact CB-O 3.3Å; C122-L178 WeakPolarHBondContact CB-O 3.2Å; G124-L178 WeakPolarHBondContact CA-O 3.42Å; G124-L178 PolarHBondContact N-O 3.31Å; G125-L178 PolarHBondContact O-N 3.45Å; L127-L178 HydrophobicContact CD1-CD1 4.02Å; L127-L178 HydrophobicContact CD1-CG 4.45Å; Y130-L178 HydrophobicContact CD2-CD1 3.49Å; Y130-L178 VanDerWaalsContact CD2-CD1 3.49Å; Y130-L178 HydrophobicContact CE2-CD1 3.6Å; Y130-L178 HydrophobicContact CG-CD1 4.07Å; L178-F182 HydrophobicContact CD1-CD1 4.41Å; L178-F182 HydrophobicContact CD2-CB 4.37Å; L178-I183 WeakPolarHBondContact CA-O 3.45Å; L178-I184 HydrophobicContact CD2-CD1 3.64Å; L178-I184 HydrophobicContact CD2-CG1 4.44Å; L178-I184 HydrophobicContact CG-CD1 4.27Å; L178-L329 HydrophobicContact CD1-CD1 4.1Å; L178-L329 HydrophobicContact CD2-CD1 3.77Å |
| 179 | T | 94.7 | Very high | 95.2 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 8% | 0.08 | 12% | 0.123 | C | C | . | . | trans | -63.8 | 174 | 168.6 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | N181 F182 I183 K185 | T179-N181 PolarHBondContact O-N 3.23Å; T179-N181 PolarHBondContact OG1-N 2.93Å; T179-F182 PolarHBondContact O-N 3.19Å; T179-F182 VanDerWaalsContact O-N 3.08Å; T179-F182 PolarHBondContact OG1-N 2.85Å; T179-I183 HydrophobicContact CG2-CB 4.25Å; T179-I183 PolarHBondContact N-O 2.92Å; T179-I183 WeakPolarHBondContact OG1-CB 3.32Å; T179-I183 PolarHBondContact OG1-N 2.8Å; T179-K185 HydrophobicContact CG2-CD 4.35Å; T179-K185 HydrophobicContact CG2-CG 3.7Å | ||
| 180 | D | 90.8 | Very high | 95 | Very high | 75 Ų | 75 | 24.2 Ų | 24.2 | 40% | 0.401 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28.9 | 167 | 43.4 | 5.1 | 0 | 0 | 0 | 113.4 | K123 F182 | K123-D180 HydrophobicContact CB-CB 3.96Å; K123-D180 HydrophobicContact CD-CB 3.97Å; K123-D180 HydrophobicContact CG-CB 3.92Å; K123-D180 IonicContact NZ-OD2 3.28Å; K123-D180 PolarHBondContact NZ-OD2 3.33Å; D180-F182 VanDerWaalsContact C-N 3.3Å; D180-F182 WeakPolarHBondContact O-CD2 3.34Å; D180-F182 WeakPolarHBondContact O-CE2 3.36Å |
| 181 | N | 91.8 | Very high | 94.9 | Very high | 105 Ų | 105 | 24.1 Ų | 24.1 | 56% | 0.561 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 20.7 | 172.3 | -64.2 | -17.6 | 0 | 0 | 0 | 113 | T179 I183 S325 | T179-N181 PolarHBondContact O-N 3.23Å; T179-N181 PolarHBondContact OG1-N 2.93Å; N181-I183 PolarHBondContact O-N 2.94Å; N181-I183 VanDerWaalsContact O-N 3.1Å; N181-S325 VanDerWaalsContact O-CA 3.28Å; N181-S325 WeakPolarHBondContact O-CA 3.44Å; N181-S325 WeakPolarHBondContact O-CB 3.45Å; N181-S325 PolarHBondContact O-OG 3.23Å |
| 182 | F | 93.3 | Very high | 94.9 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 9% | 0.088 | 13% | 0.131 | C | C | . | . | trans | 54.1 | 30.2 | 175.1 | -61.7 | -88.8 | 0 | 0 | 0 | 115.7 | Y130 L178 T179 D180 I326 L329 E330 A333 | Y130-F182 HydrophobicContact CE1-CE1 4.16Å; L178-F182 HydrophobicContact CD1-CD1 4.41Å; L178-F182 HydrophobicContact CD2-CB 4.37Å; T179-F182 PolarHBondContact O-N 3.19Å; T179-F182 VanDerWaalsContact O-N 3.08Å; T179-F182 PolarHBondContact OG1-N 2.85Å; D180-F182 VanDerWaalsContact C-N 3.3Å; D180-F182 WeakPolarHBondContact O-CD2 3.34Å; D180-F182 WeakPolarHBondContact O-CE2 3.36Å; F182-I326 WeakPolarHBondContact O-CG1 3.15Å; F182-L329 HydrophobicContact CD1-CB 3.85Å; F182-E330 HydrophobicContact CD2-CB 3.62Å; F182-E330 HydrophobicContact CD2-CG 3.82Å; F182-E330 HydrophobicContact CE2-CB 3.78Å; F182-E330 HydrophobicContact CE2-CG 3.62Å; F182-E330 HydrophobicContact CG-CB 4.04Å; F182-E330 HydrophobicContact CZ-CB 4.31Å; F182-E330 HydrophobicContact CZ-CG 4.35Å; F182-A333 HydrophobicContact CE1-CB 3.74Å; F182-A333 HydrophobicContact CZ-CB 3.48Å; F182-A333 VanDerWaalsContact CZ-CB 3.48Å | ||
| 183 | I | 96.5 | Very high | 95 | Very high | 44 Ų | 44 | 23 Ų | 23 | 23% | 0.226 | 13% | 0.126 | C | C | . | . | trans | -86.6 | 138.3 | 171.6 | -58.4 | 176.1 | 0 | 0 | 0 | 108.9 | L178 T179 N181 | L178-I183 WeakPolarHBondContact CA-O 3.45Å; T179-I183 HydrophobicContact CG2-CB 4.25Å; T179-I183 PolarHBondContact N-O 2.92Å; T179-I183 WeakPolarHBondContact OG1-CB 3.32Å; T179-I183 PolarHBondContact OG1-N 2.8Å; N181-I183 PolarHBondContact O-N 2.94Å; N181-I183 VanDerWaalsContact O-N 3.1Å | ||
| 184 | I | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 135.7 | 179 | -63.7 | -69.1 | 0 | 0 | 0 | 111.6 | N93 L127 I148 Q151 L176 L177 L178 I326 | N93-I184 WeakPolarHBondContact CA-O 3.49Å; N93-I184 PolarHBondContact ND2-O 3.03Å; L127-I184 HydrophobicContact CD1-CD1 4.06Å; L127-I184 HydrophobicContact CD2-CD1 4.02Å; L127-I184 HydrophobicContact CG-CD1 4.45Å; I148-I184 HydrophobicContact CG2-CD1 4.28Å; I148-I184 HydrophobicContact CG2-CG1 4.49Å; Q151-I184 HydrophobicContact CB-CB 3.82Å; Q151-I184 HydrophobicContact CB-CG1 4.24Å; Q151-I184 HydrophobicContact CB-CG2 4.47Å; L176-I184 HydrophobicContact CD2-CG2 3.94Å; L177-I184 CarbonylContact O-C 3.52Å; L177-I184 WeakPolarHBondContact O-CA 3.39Å; L178-I184 HydrophobicContact CD2-CD1 3.64Å; L178-I184 HydrophobicContact CD2-CG1 4.44Å; L178-I184 HydrophobicContact CG-CD1 4.27Å; I184-I326 HydrophobicContact CD1-CD1 4.44Å; I184-I326 HydrophobicContact CG1-CD1 3.89Å |
| 185 | K | 97.7 | Very high | 95.1 | Very high | 18 Ų | 18 | 25.5 Ų | 25.5 | 8% | 0.078 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 123.3 | -179.8 | -71.3 | -79.6 | -174.7 | 163.8 | 0 | 110.5 | P92 I94 E120 L177 T179 | P92-K185 WeakPolarHBondContact O-CD 3.43Å; P92-K185 WeakPolarHBondContact O-CE 3.27Å; P92-K185 PolarHBondContact O-NZ 3.34Å; P92-K185 VanDerWaalsContact O-NZ 3.16Å; I94-K185 WeakPolarHBondContact O-CD 3.45Å; I94-K185 PolarHBondContact O-NZ 2.97Å; E120-K185 WeakPolarHBondContact OE1-CD 3.36Å; E120-K185 WeakPolarHBondContact OE1-CE 3.43Å; E120-K185 IonicContact OE1-NZ 3.65Å; E120-K185 PolarHBondContact OE1-NZ 3.49Å; E120-K185 IonicContact OE2-NZ 3.63Å; E120-K185 PolarHBondContact OE2-NZ 2.99Å; L177-K185 HydrophobicContact CB-CB 4.18Å; L177-K185 PolarHBondContact N-O 3.02Å; L177-K185 PolarHBondContact O-N 3.24Å; T179-K185 HydrophobicContact CG2-CD 4.35Å; T179-K185 HydrophobicContact CG2-CG 3.7Å |
| 186 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 138.8 | 169.6 | -82.9 | 168.1 | 0 | 0 | 0 | 111.8 | N93 I94 L95 V156 M159 L171 L176 F189 | N93-L186 PolarHBondContact O-N 3.47Å; I94-L186 HydrophobicContact CD1-CB 4.24Å; I94-L186 HydrophobicContact CD1-CD1 4.36Å; L95-L186 WeakPolarHBondContact CB-O 3.35Å; L95-L186 PolarHBondContact N-O 2.94Å; V156-L186 HydrophobicContact CG2-CD1 3.84Å; M159-L186 HydrophobicContact SD-CD1 4.33Å; L171-L186 HydrophobicContact CD2-CD1 4.26Å; L171-L186 HydrophobicContact CD2-CD2 3.35Å; L171-L186 HydrophobicContact CD2-CG 4.48Å; L176-L186 HydrophobicContact CD2-CD2 3.52Å; L176-L186 HydrophobicContact CD2-CG 4.09Å; L186-F189 HydrophobicContact CB-CZ 4.4Å |
| 187 | C | 95.1 | Very high | 95.1 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 10% | 0.095 | 17% | 0.169 | C | C | . | . | trans | -141.2 | 173.8 | 178.9 | 72.6 | 0 | 0 | 0 | 0 | 114.1 | L95 H168 N175 L177 | L95-C187 HydrophobicContact CB-CB 4.3Å; L95-C187 HydrophobicContact CD2-CB 3.88Å; H168-C187 PolarHBondContact CE1-O 3.29Å; H168-C187 PolarHBondContact NE2-O 2.99Å; N175-C187 PolarHBondContact O-N 2.71Å; N175-C187 VanDerWaalsContact O-N 3.14Å; N175-C187 PolarHBondContact O-SG 2.92Å; L177-C187 HydrophobicContact CD1-CB 3.76Å; L177-C187 HydrophobicContact CG-CB 4.26Å | ||
| 188 | D | 92.4 | Very high | 95 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | trans | 66.7 | 64.8 | 179.4 | -150.9 | 30.1 | 0 | 0 | 0 | 114.8 | K65 G190 | K65-D188 IonicContact NZ-OD1 3.57Å; K65-D188 PolarHBondContact NZ-OD1 2.9Å; D188-G190 PolarHBondContact O-N 3.48Å | ||
| 189 | F | 94.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -75.7 | 6.3 | 177 | -57.3 | -85.8 | 0 | 0 | 0 | 113.4 | E81 L85 L88 I94 M159 L186 S191 A192 | E81-F189 HydrophobicContact CG-CB 4.14Å; L85-F189 HydrophobicContact CD2-CD2 3.45Å; L85-F189 VanDerWaalsContact CD2-CD2 3.45Å; L85-F189 HydrophobicContact CD2-CE2 3.72Å; L85-F189 HydrophobicContact CD2-CG 4.47Å; L85-F189 HydrophobicContact CG-CD2 3.87Å; L88-F189 HydrophobicContact CD1-CD1 3.86Å; L88-F189 HydrophobicContact CD1-CE1 3.65Å; L88-F189 HydrophobicContact CD1-CZ 4.39Å; I94-F189 HydrophobicContact CD1-CE1 4.5Å; I94-F189 HydrophobicContact CD1-CZ 4.17Å; I94-F189 HydrophobicContact CG2-CE2 4.32Å; I94-F189 HydrophobicContact CG2-CZ 3.91Å; M159-F189 HydrophobicContact CE-CD1 3.94Å; M159-F189 HydrophobicContact CE-CE1 3.75Å; M159-F189 HydrophobicContact SD-CE1 3.82Å; L186-F189 HydrophobicContact CB-CZ 4.4Å; F189-S191 PolarHBondContact O-N 3.44Å; F189-S191 VanDerWaalsContact O-N 3.15Å; F189-A192 HydrophobicContact CB-CB 4.22Å; F189-A192 HydrophobicContact CD1-CB 4.39Å; F189-A192 WeakPolarHBondContact O-CB 3.31Å; F189-A192 PolarHBondContact O-N 2.61Å |
| 190 | G | 91.9 | Very high | 94.5 | Very high | 25 Ų | 25 | 35 Ų | 35 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -63.3 | -16.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E81 D188 | E81-G190 WeakPolarHBondContact OE2-CA 3.41Å; D188-G190 PolarHBondContact O-N 3.48Å |
| 191 | S | 94.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -101.9 | -11.4 | 172.1 | -67.3 | 0 | 0 | 0 | 0 | 114 | R169 F189 F218 | R169-S191 VanDerWaalsContact CZ-O 3.29Å; R169-S191 PolarHBondContact NE-O 3.38Å; R169-S191 PolarHBondContact NH2-O 2.73Å; F189-S191 PolarHBondContact O-N 3.44Å; F189-S191 VanDerWaalsContact O-N 3.15Å; S191-F218 WeakPolarHBondContact CB-O 3.08Å |
| 192 | A | 96.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | trans | -69.8 | 159.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L84 V166 I167 F189 | L84-A192 HydrophobicContact CD1-CB 3.57Å; V166-A192 HydrophobicContact CG1-CB 4.27Å; I167-A192 CarbonylContact O-C 3.3Å; I167-A192 VanDerWaalsContact O-CA 3.23Å; I167-A192 WeakPolarHBondContact O-CA 3.17Å; I167-A192 WeakPolarHBondContact O-CB 3.41Å; F189-A192 HydrophobicContact CB-CB 4.22Å; F189-A192 HydrophobicContact CD1-CB 4.39Å; F189-A192 WeakPolarHBondContact O-CB 3.31Å; F189-A192 PolarHBondContact O-N 2.61Å | ||
| 193 | T | 96.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -155.2 | 159.5 | -177.4 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | I167 R169 I195 | I167-T193 HydrophobicContact CB-CG2 4.3Å; I167-T193 HydrophobicContact CD1-CG2 4.39Å; I167-T193 PolarHBondContact N-O 2.78Å; I167-T193 PolarHBondContact O-N 3.02Å; R169-T193 HydrophobicContact CG-CG2 4.14Å; T193-I195 WeakPolarHBondContact OG1-CB 3.49Å; T193-I195 PolarHBondContact OG1-N 3.38Å |
| 194 | T | 96.1 | Very high | 93.6 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 26% | 0.258 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -102.3 | 1 | 165.4 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | L84 P164 P165 V166 | L84-T194 HydrophobicContact CD2-CG2 4.36Å; P164-T194 HydrophobicContact CG-CG2 3.93Å; P165-T194 WeakPolarHBondContact O-CA 3.34Å; V166-T194 HydrophobicContact CG2-CG2 3.92Å |
| 195 | I | 94.8 | Very high | 92.9 | Very high | 84 Ų | 84 | 45 Ų | 45 | 43% | 0.431 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -81 | 120.7 | -179.1 | -56.6 | 174.1 | 0 | 0 | 0 | 109.4 | I167 T193 Y197 | I167-I195 WeakPolarHBondContact CD1-O 3.25Å; T193-I195 WeakPolarHBondContact OG1-CB 3.49Å; T193-I195 PolarHBondContact OG1-N 3.38Å; I195-Y197 HydrophobicContact CG2-CD1 4.2Å; I195-Y197 HydrophobicContact CG2-CE1 3.63Å; I195-Y197 HydrophobicContact CG2-CE2 4.08Å |
| 196 | T | 95 | Very high | 92.1 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -99.5 | 134 | 169.6 | -57.3 | 0 | 0 | 0 | 0 | 108.9 | I237 | T196-I237 WeakPolarHBondContact CG2-O 3.49Š|
| 197 | Y | 96.1 | Very high | 91.8 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 14% | 0.137 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -103.8 | 134.5 | 175.6 | -66.6 | -62.5 | 0 | 0 | 0 | 110.9 | I195 W203 V211 E214 P236 I237 | I195-Y197 HydrophobicContact CG2-CD1 4.2Å; I195-Y197 HydrophobicContact CG2-CE1 3.63Å; I195-Y197 HydrophobicContact CG2-CE2 4.08Å; Y197-W203 AromaticContact CD1-CH2 3.8Å; Y197-W203 HydrophobicContact CD1-CH2 3.8Å; Y197-W203 HydrophobicContact CG-CH2 4.18Å; Y197-V211 HydrophobicContact CD1-CG1 4.3Å; Y197-V211 HydrophobicContact CD1-CG2 4.15Å; Y197-V211 HydrophobicContact CD2-CG1 3.81Å; Y197-V211 HydrophobicContact CE1-CG1 4.47Å; Y197-V211 HydrophobicContact CE1-CG2 3.9Å; Y197-V211 HydrophobicContact CE2-CG1 4.03Å; Y197-V211 HydrophobicContact CG-CG1 3.98Å; Y197-E214 PolarHBondContact OH-OE2 3.49Å; Y197-P236 CarbonylContact O-C 3.43Å; Y197-P236 WeakPolarHBondContact O-CA 3.49Å; Y197-I237 PolarHBondContact N-O 3.37Å; Y197-I237 PolarHBondContact O-N 2.78Å |
| 198 | S | 94 | Very high | 91.6 | Very high | 72 Ų | 72 | 55.6 Ų | 55.6 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | trans | -120.1 | 90.4 | 169.2 | -63.4 | 0 | 0 | 0 | 0 | 108.4 | D200 W203 | S198-D200 PolarHBondContact O-N 3.5Å; S198-W203 WeakPolarHBondContact O-CZ2 3.36Å; S198-W203 PolarHBondContact O-NE1 3.24Å | ||
| 199 | P | 91.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | trans | -65.3 | 129 | 174.4 | -14.1 | 29.4 | 0 | 0 | 0 | 109.9 | W203 L231 N234 Y235 | P199-W203 HydrophobicContact CB-CD2 4.28Å; P199-W203 HydrophobicContact CB-CE3 4.25Å; P199-W203 HydrophobicContact CB-CZ3 4.4Å; P199-W203 HydrophobicContact CG-CH2 4.4Å; P199-W203 HydrophobicContact CG-CZ3 4.43Å; P199-L231 HydrophobicContact CB-CB 4.5Å; P199-L231 HydrophobicContact CG-CD2 4.23Å; P199-N234 CarbonylContact O-C 3.45Å; P199-N234 VanDerWaalsContact O-CA 3.29Å; P199-N234 WeakPolarHBondContact O-CA 3.41Å; P199-N234 VanDerWaalsContact O-CB 3.24Å; P199-N234 WeakPolarHBondContact O-CB 3.28Å; P199-Y235 VanDerWaalsContact CD-O 3.24Å; P199-Y235 WeakPolarHBondContact CD-O 3.19Å | ||
| 200 | D | 90.8 | Very high | 90.9 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | trans | -137.7 | 172.5 | -178.2 | 68.2 | 68.4 | 0 | 0 | 0 | 111 | S198 S202 W203 R208 | S198-D200 PolarHBondContact O-N 3.5Å; D200-S202 PolarHBondContact O-N 3.29Å; D200-S202 VanDerWaalsContact O-N 3.08Å; D200-S202 WeakPolarHBondContact OD1-CA 3.47Å; D200-S202 WeakPolarHBondContact OD1-CB 3.26Å; D200-S202 PolarHBondContact OD1-N 3Å; D200-S202 PolarHBondContact OD1-OG 3.14Å; D200-W203 WeakPolarHBondContact O-CB 3.3Å; D200-W203 PolarHBondContact O-N 3.12Å; D200-W203 PolarHBondContact OD2-NE1 3.23Å; D200-R208 PolarHBondContact O-NH2 3.03Å | ||
| 201 | Q | 86.5 | Confident | 91 | Very high | 188 Ų | 188 | 57.5 Ų | 57.5 | 88% | 0.879 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.2 | -174.3 | -66.8 | 172.7 | -7.2 | 0 | 0 | 114.1 | ||
| 202 | S | 90.1 | Very high | 90.8 | Very high | 92 Ų | 92 | 59 Ų | 59 | 64% | 0.643 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13.7 | 172.8 | 78.8 | 0 | 0 | 0 | 0 | 113.8 | D200 T204 | D200-S202 PolarHBondContact O-N 3.29Å; D200-S202 VanDerWaalsContact O-N 3.08Å; D200-S202 WeakPolarHBondContact OD1-CA 3.47Å; D200-S202 WeakPolarHBondContact OD1-CB 3.26Å; D200-S202 PolarHBondContact OD1-N 3Å; D200-S202 PolarHBondContact OD1-OG 3.14Å; S202-T204 PolarHBondContact O-N 3.42Å; S202-T204 VanDerWaalsContact O-N 3.13Å |
| 203 | W | 89.4 | Confident | 90.4 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 7% | 0.072 | 36% | 0.361 | C | S | . | . | trans | -68.8 | 112.6 | -180 | -77.2 | 44.5 | 0 | 0 | 0 | 111.2 | Y197 S198 P199 D200 K207 R208 V211 | Y197-W203 AromaticContact CD1-CH2 3.8Å; Y197-W203 HydrophobicContact CD1-CH2 3.8Å; Y197-W203 HydrophobicContact CG-CH2 4.18Å; S198-W203 WeakPolarHBondContact O-CZ2 3.36Å; S198-W203 PolarHBondContact O-NE1 3.24Å; P199-W203 HydrophobicContact CB-CD2 4.28Å; P199-W203 HydrophobicContact CB-CE3 4.25Å; P199-W203 HydrophobicContact CB-CZ3 4.4Å; P199-W203 HydrophobicContact CG-CH2 4.4Å; P199-W203 HydrophobicContact CG-CZ3 4.43Å; D200-W203 WeakPolarHBondContact O-CB 3.3Å; D200-W203 PolarHBondContact O-N 3.12Å; D200-W203 PolarHBondContact OD2-NE1 3.23Å; W203-K207 HydrophobicContact CB-CD 4.26Å; W203-K207 HydrophobicContact CD2-CD 3.59Å; W203-K207 VanDerWaalsContact CD2-CE 3.45Å; W203-K207 HydrophobicContact CD2-CG 4.08Å; W203-K207 HydrophobicContact CE3-CB 4.49Å; W203-K207 HydrophobicContact CE3-CD 3.84Å; W203-K207 HydrophobicContact CE3-CG 3.77Å; W203-K207 HydrophobicContact CG-CD 3.76Å; W203-K207 HydrophobicContact CZ3-CD 4.46Å; W203-K207 HydrophobicContact CZ3-CG 4.21Å; W203-R208 HydrophobicContact CB-CG 4.04Å; W203-R208 HydrophobicContact CE3-CG 4.1Å; W203-R208 WeakPolarHBondContact O-CD 3.37Å; W203-R208 PolarHBondContact O-NE 2.96Å; W203-V211 HydrophobicContact CH2-CG2 4.14Å; W203-V211 HydrophobicContact CZ3-CB 4.09Å; W203-V211 HydrophobicContact CZ3-CG1 4.26Å; W203-V211 HydrophobicContact CZ3-CG2 3.77Å | ||
| 204 | T | 87 | Confident | 90.1 | Very high | 87 Ų | 87 | 65.5 Ų | 65.5 | 53% | 0.534 | 37% | 0.37 | S | S | . | . | trans | -59.4 | 153.8 | 172.9 | 66 | 0 | 0 | 0 | 0 | 112.1 | S202 L206 K207 R208 | S202-T204 PolarHBondContact O-N 3.42Å; S202-T204 VanDerWaalsContact O-N 3.13Å; T204-L206 PolarHBondContact O-N 2.95Å; T204-K207 PolarHBondContact O-N 2.84Å; T204-K207 VanDerWaalsContact O-N 3.08Å; T204-K207 PolarHBondContact OG1-N 3.44Å; T204-R208 WeakPolarHBondContact O-CG 3.32Å; T204-R208 PolarHBondContact O-N 2.88Å | ||
| 205 | A | 82.1 | Confident | 90 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -54.4 | -34.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R208 G209 | A205-R208 PolarHBondContact O-N 3.15Å; A205-G209 PolarHBondContact O-N 2.86Å |
| 206 | L | 82.6 | Confident | 89.8 | Confident | 150 Ų | 150 | 63.2 Ų | 63.2 | 79% | 0.785 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64 | -46.5 | 175.8 | -161.7 | 84.6 | 0 | 0 | 0 | 112.2 | T204 R208 G209 S210 | T204-L206 PolarHBondContact O-N 2.95Å; L206-R208 VanDerWaalsContact C-N 3.31Å; L206-R208 PolarHBondContact O-N 3.41Å; L206-G209 PolarHBondContact O-N 3.26Å; L206-S210 PolarHBondContact O-N 2.97Å; L206-S210 PolarHBondContact O-OG 2.86Å |
| 207 | K | 90.3 | Very high | 89.4 | Confident | 91 Ų | 91 | 65.4 Ų | 65.4 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 177.4 | -175.1 | -176.8 | 176.8 | -169.6 | 0 | 111.4 | W203 T204 S210 V211 | W203-K207 HydrophobicContact CB-CD 4.26Å; W203-K207 HydrophobicContact CD2-CD 3.59Å; W203-K207 VanDerWaalsContact CD2-CE 3.45Å; W203-K207 HydrophobicContact CD2-CG 4.08Å; W203-K207 HydrophobicContact CE3-CB 4.49Å; W203-K207 HydrophobicContact CE3-CD 3.84Å; W203-K207 HydrophobicContact CE3-CG 3.77Å; W203-K207 HydrophobicContact CG-CD 3.76Å; W203-K207 HydrophobicContact CZ3-CD 4.46Å; W203-K207 HydrophobicContact CZ3-CG 4.21Å; T204-K207 PolarHBondContact O-N 2.84Å; T204-K207 VanDerWaalsContact O-N 3.08Å; T204-K207 PolarHBondContact OG1-N 3.44Å; K207-S210 WeakPolarHBondContact CA-OG 3.27Å; K207-S210 PolarHBondContact O-OG 3.42Å; K207-V211 WeakPolarHBondContact O-CG2 3.13Å; K207-V211 PolarHBondContact O-N 3.13Å; K207-V211 VanDerWaalsContact O-N 3.16Å |
| 208 | R | 90.6 | Very high | 89.1 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 5% | 0.049 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 174.1 | -69.1 | 169.2 | 176.7 | -83 | -4.4 | 110.7 | D200 W203 T204 A205 L206 S210 V211 Q212 L231 N234 | D200-R208 PolarHBondContact O-NH2 3.03Å; W203-R208 HydrophobicContact CB-CG 4.04Å; W203-R208 HydrophobicContact CE3-CG 4.1Å; W203-R208 WeakPolarHBondContact O-CD 3.37Å; W203-R208 PolarHBondContact O-NE 2.96Å; T204-R208 WeakPolarHBondContact O-CG 3.32Å; T204-R208 PolarHBondContact O-N 2.88Å; A205-R208 PolarHBondContact O-N 3.15Å; L206-R208 VanDerWaalsContact C-N 3.31Å; L206-R208 PolarHBondContact O-N 3.41Å; R208-S210 PolarHBondContact O-N 2.78Å; R208-V211 PolarHBondContact O-N 2.88Å; R208-Q212 WeakPolarHBondContact O-CB 3.31Å; R208-Q212 PolarHBondContact O-N 3.21Å; R208-L231 HydrophobicContact CB-CD1 3.9Å; R208-L231 HydrophobicContact CG-CD1 4.35Å; R208-L231 PolarHBondContact NH1-O 2.8Å; R208-L231 WeakPolarHBondContact O-CD1 3.46Å; R208-N234 PolarHBondContact NH2-OD1 3.18Å |
| 209 | G | 83.5 | Confident | 89.1 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.4 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A205 L206 V211 Q212 E213 | A205-G209 PolarHBondContact O-N 2.86Å; L206-G209 PolarHBondContact O-N 3.26Å; G209-V211 PolarHBondContact O-N 3.05Å; G209-Q212 PolarHBondContact O-N 2.98Å; G209-E213 PolarHBondContact O-N 3.29Å |
| 210 | S | 89.8 | Confident | 89.1 | Confident | 69 Ų | 69 | 63 Ų | 63 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 178.8 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | L206 K207 R208 E214 | L206-S210 PolarHBondContact O-N 2.97Å; L206-S210 PolarHBondContact O-OG 2.86Å; K207-S210 WeakPolarHBondContact CA-OG 3.27Å; K207-S210 PolarHBondContact O-OG 3.42Å; R208-S210 PolarHBondContact O-N 2.78Å; S210-E214 PolarHBondContact O-N 3.26Å; S210-E214 VanDerWaalsContact O-N 3.14Å |
| 211 | V | 92.5 | Very high | 88.9 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.3 | -34.9 | 175.9 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | Y197 W203 K207 R208 G209 E214 L215 L231 | Y197-V211 HydrophobicContact CD1-CG1 4.3Å; Y197-V211 HydrophobicContact CD1-CG2 4.15Å; Y197-V211 HydrophobicContact CD2-CG1 3.81Å; Y197-V211 HydrophobicContact CE1-CG1 4.47Å; Y197-V211 HydrophobicContact CE1-CG2 3.9Å; Y197-V211 HydrophobicContact CE2-CG1 4.03Å; Y197-V211 HydrophobicContact CG-CG1 3.98Å; W203-V211 HydrophobicContact CH2-CG2 4.14Å; W203-V211 HydrophobicContact CZ3-CB 4.09Å; W203-V211 HydrophobicContact CZ3-CG1 4.26Å; W203-V211 HydrophobicContact CZ3-CG2 3.77Å; K207-V211 WeakPolarHBondContact O-CG2 3.13Å; K207-V211 PolarHBondContact O-N 3.13Å; K207-V211 VanDerWaalsContact O-N 3.16Å; R208-V211 PolarHBondContact O-N 2.88Å; G209-V211 PolarHBondContact O-N 3.05Å; V211-E214 PolarHBondContact O-N 3.25Å; V211-L215 HydrophobicContact CG1-CD1 3.84Å; V211-L215 HydrophobicContact CG1-CG 4.34Å; V211-L215 WeakPolarHBondContact O-CB 3.5Å; V211-L215 VanDerWaalsContact O-CG 3.23Å; V211-L215 WeakPolarHBondContact O-CG 3.46Å; V211-L215 PolarHBondContact O-N 3.22Å; V211-L231 HydrophobicContact CB-CD1 4.49Å |
| 212 | Q | 91.6 | Very high | 89.2 | Confident | 36 Ų | 36 | 55.2 Ų | 55.2 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 172 | -172.7 | -175.9 | -30.1 | 0 | 0 | 111.3 | R208 G209 E214 L215 E216 L231 | R208-Q212 WeakPolarHBondContact O-CB 3.31Å; R208-Q212 PolarHBondContact O-N 3.21Å; G209-Q212 PolarHBondContact O-N 2.98Å; Q212-E214 VanDerWaalsContact C-N 3.33Å; Q212-E214 PolarHBondContact O-N 3.35Å; Q212-L215 PolarHBondContact O-N 3.45Å; Q212-E216 HydrophobicContact CG-CG 4.14Å; Q212-E216 PolarHBondContact NE2-OE1 2.78Å; Q212-E216 WeakPolarHBondContact O-CB 3.32Å; Q212-E216 VanDerWaalsContact O-CG 3.32Å; Q212-E216 WeakPolarHBondContact O-CG 3.16Å; Q212-E216 PolarHBondContact O-N 3.23Å; Q212-L231 HydrophobicContact CB-CD1 4.21Å |
| 213 | E | 87.6 | Confident | 89.5 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 176.8 | -177.7 | 168.2 | -143.2 | 0 | 0 | 111.9 | G209 E216 R217 R530 | G209-E213 PolarHBondContact O-N 3.29Å; E213-E216 PolarHBondContact O-N 3.34Å; E213-R217 VanDerWaalsContact O-CB 3.26Å; E213-R217 WeakPolarHBondContact O-CB 3.3Å; E213-R217 PolarHBondContact O-N 3.17Å; E213-R217 VanDerWaalsContact O-N 3.12Å; E213-R530 IonicContact OE1-CZ 2.65Å; E213-R530 IonicContact OE1-NH1 2.59Å; E213-R530 PolarHBondContact OE1-NH1 3.08Å; E213-R530 IonicContact OE1-NH2 2.78Å; E213-R530 PolarHBondContact OE1-NH2 2.74Å; E213-R530 IonicContact OE2-NH1 2.62Å |
| 214 | E | 91.5 | Very high | 89.8 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -51.2 | 172.7 | -172.7 | -171.8 | 155.3 | 0 | 0 | 111.8 | R169 Y197 S210 V211 Q212 E216 R217 F218 | R169-E214 IonicContact CZ-OE1 3.26Å; R169-E214 IonicContact NH1-OE1 2.74Å; R169-E214 PolarHBondContact NH1-OE1 3.34Å; R169-E214 IonicContact NH2-OE1 2.86Å; Y197-E214 PolarHBondContact OH-OE2 3.49Å; S210-E214 PolarHBondContact O-N 3.26Å; S210-E214 VanDerWaalsContact O-N 3.14Å; V211-E214 PolarHBondContact O-N 3.25Å; Q212-E214 VanDerWaalsContact C-N 3.33Å; Q212-E214 PolarHBondContact O-N 3.35Å; E214-E216 VanDerWaalsContact C-N 3.3Å; E214-E216 PolarHBondContact O-N 2.91Å; E214-R217 WeakPolarHBondContact O-CA 3.41Å; E214-R217 WeakPolarHBondContact O-CB 3.32Å; E214-R217 PolarHBondContact O-N 2.92Å; E214-F218 HydrophobicContact CG-CD2 3.67Å; E214-F218 HydrophobicContact CG-CE2 3.97Å; E214-F218 WeakPolarHBondContact O-CD2 3.22Å; E214-F218 PolarHBondContact O-N 3.48Å |
| 215 | L | 93.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 178.7 | -70.6 | 166.5 | 0 | 0 | 0 | 111.3 | V211 Q212 R217 F218 T219 M228 L231 I237 | V211-L215 HydrophobicContact CG1-CD1 3.84Å; V211-L215 HydrophobicContact CG1-CG 4.34Å; V211-L215 WeakPolarHBondContact O-CB 3.5Å; V211-L215 VanDerWaalsContact O-CG 3.23Å; V211-L215 WeakPolarHBondContact O-CG 3.46Å; V211-L215 PolarHBondContact O-N 3.22Å; Q212-L215 PolarHBondContact O-N 3.45Å; L215-R217 PolarHBondContact O-N 3.01Å; L215-F218 PolarHBondContact O-N 3.32Å; L215-T219 WeakPolarHBondContact O-CB 3.37Å; L215-T219 WeakPolarHBondContact O-CG2 3.45Å; L215-T219 PolarHBondContact O-N 2.78Å; L215-T219 PolarHBondContact O-OG1 3.41Å; L215-M228 HydrophobicContact CD1-CB 4.45Å; L215-M228 HydrophobicContact CD2-CE 4.13Å; L215-M228 HydrophobicContact CD2-CG 4.22Å; L215-L231 HydrophobicContact CD1-CD2 4.21Å; L215-I237 HydrophobicContact CD1-CD1 3.55Å; L215-I237 HydrophobicContact CD2-CG2 4.35Å |
| 216 | E | 89.3 | Confident | 90.9 | Very high | 77 Ų | 77 | 43.9 Ų | 43.9 | 36% | 0.36 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.5 | -17.5 | 177.1 | -68.3 | -153.2 | -170 | 0 | 0 | 113.3 | Q212 E213 E214 R224 K265 | Q212-E216 HydrophobicContact CG-CG 4.14Å; Q212-E216 PolarHBondContact NE2-OE1 2.78Å; Q212-E216 WeakPolarHBondContact O-CB 3.32Å; Q212-E216 VanDerWaalsContact O-CG 3.32Å; Q212-E216 WeakPolarHBondContact O-CG 3.16Å; Q212-E216 PolarHBondContact O-N 3.23Å; E213-E216 PolarHBondContact O-N 3.34Å; E214-E216 VanDerWaalsContact C-N 3.3Å; E214-E216 PolarHBondContact O-N 2.91Å; E216-R224 PolarHBondContact O-NH2 3.19Å; E216-R224 IonicContact OE2-NH1 2.71Å; E216-K265 IonicContact OE1-NZ 3.71Å; E216-K265 PolarHBondContact OE1-NZ 3.29Å |
| 217 | R | 87 | Confident | 91.6 | Very high | 124 Ų | 124 | 36.8 Ų | 36.8 | 47% | 0.468 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -93.1 | -31.3 | 179.2 | -166.3 | 176.9 | -168.6 | -178.4 | 0.2 | 114.7 | Y4 E213 E214 L215 | Y4-R217 HydrophobicContact CE2-CG 4.1Å; Y4-R217 WeakPolarHBondContact OH-CG 3.32Å; Y4-R217 PolarHBondContact OH-NE 2.94Å; E213-R217 VanDerWaalsContact O-CB 3.26Å; E213-R217 WeakPolarHBondContact O-CB 3.3Å; E213-R217 PolarHBondContact O-N 3.17Å; E213-R217 VanDerWaalsContact O-N 3.12Å; E214-R217 WeakPolarHBondContact O-CA 3.41Å; E214-R217 WeakPolarHBondContact O-CB 3.32Å; E214-R217 PolarHBondContact O-N 2.92Å; L215-R217 PolarHBondContact O-N 3.01Å |
| 218 | F | 90.5 | Very high | 91.8 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -118.3 | 28 | -173.6 | -62.1 | -75.4 | 0 | 0 | 0 | 114.3 | L77 S191 E214 L215 | L77-F218 HydrophobicContact CD1-CE1 4.21Å; L77-F218 HydrophobicContact CD1-CZ 3.8Å; L77-F218 HydrophobicContact CD2-CE1 4.04Å; L77-F218 HydrophobicContact CD2-CZ 3.71Å; L77-F218 HydrophobicContact CG-CZ 4.43Å; S191-F218 WeakPolarHBondContact CB-O 3.08Å; E214-F218 HydrophobicContact CG-CD2 3.67Å; E214-F218 HydrophobicContact CG-CE2 3.97Å; E214-F218 WeakPolarHBondContact O-CD2 3.22Å; E214-F218 PolarHBondContact O-N 3.48Å; L215-F218 PolarHBondContact O-N 3.32Å |
| 219 | T | 93.5 | Very high | 91.9 | Very high | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -146.8 | 140.5 | 175.6 | 64.1 | 0 | 0 | 0 | 0 | 111 | R169 L215 R224 M228 | R169-T219 HydrophobicContact CB-CG2 4.06Å; R169-T219 WeakPolarHBondContact O-CB 3.3Å; R169-T219 WeakPolarHBondContact O-CG2 3.49Å; L215-T219 WeakPolarHBondContact O-CB 3.37Å; L215-T219 WeakPolarHBondContact O-CG2 3.45Å; L215-T219 PolarHBondContact O-N 2.78Å; L215-T219 PolarHBondContact O-OG1 3.41Å; T219-R224 PolarHBondContact O-NH2 2.9Å; T219-R224 WeakPolarHBondContact OG1-CG 3.26Å; T219-R224 PolarHBondContact OG1-NE 3.42Å; T219-R224 PolarHBondContact OG1-NH2 2.59Å; T219-M228 HydrophobicContact CG2-CE 3.9Å; T219-M228 HydrophobicContact CG2-SD 4.03Å |
| 220 | T | 90.7 | Very high | 92.3 | Very high | 31 Ų | 31 | 33.8 Ų | 33.8 | 19% | 0.19 | 17% | 0.169 | C | C | . | . | trans | -71 | 125.6 | 172.6 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | D170 K172 M222 Y223 R224 | D170-T220 VanDerWaalsContact OD1-CB 3.25Å; D170-T220 WeakPolarHBondContact OD1-CB 3.41Å; D170-T220 PolarHBondContact OD1-N 2.87Å; D170-T220 PolarHBondContact OD1-OG1 3.16Å; K172-T220 HydrophobicContact CD-CG2 4.4Å; K172-T220 PolarHBondContact NZ-OG1 3.16Å; T220-M222 HydrophobicContact CG2-CG 4.21Å; T220-M222 HydrophobicContact CG2-SD 4.45Å; T220-M222 PolarHBondContact O-N 2.97Å; T220-M222 VanDerWaalsContact O-N 3.15Å; T220-Y223 HydrophobicContact CG2-CD2 3.86Å; T220-Y223 HydrophobicContact CG2-CE2 4.44Å; T220-Y223 PolarHBondContact O-N 3.3Å; T220-R224 PolarHBondContact O-N 2.86Å | ||
| 221 | P | 88.2 | Confident | 92.4 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 31% | 0.305 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -53.7 | -39.8 | -167.7 | -30.7 | 35.1 | 0 | 0 | 0 | 117.4 | Y223 | P221-Y223 VanDerWaalsContact C-N 3.34Š|
| 222 | M | 92.1 | Very high | 92.3 | Very high | 43 Ų | 43 | 37.3 Ų | 37.3 | 21% | 0.212 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -73.8 | -23.1 | -178.9 | 66.3 | -147 | -72.4 | 0 | 0 | 113.8 | T220 H258 | T220-M222 HydrophobicContact CG2-CG 4.21Å; T220-M222 HydrophobicContact CG2-SD 4.45Å; T220-M222 PolarHBondContact O-N 2.97Å; T220-M222 VanDerWaalsContact O-N 3.15Å; M222-H258 HydrophobicContact CE-CB 3.8Å; M222-H258 VanDerWaalsContact CE-CG 3.45Å; M222-H258 PolarHBondContact O-CE1 3.14Å; M222-H258 VanDerWaalsContact O-CE1 3.24Å |
| 223 | Y | 96.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 39 Ų | 39 | 6% | 0.055 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -92.9 | -1.9 | 179.2 | -69 | -90 | 0 | 0 | 0 | 113.1 | L171 K172 I173 T220 P221 A225 A245 C248 I249 H258 | L171-Y223 VanDerWaalsContact O-CD1 3.32Å; L171-Y223 WeakPolarHBondContact O-CD1 3.34Å; K172-Y223 HydrophobicContact CB-CD1 4.36Å; K172-Y223 HydrophobicContact CB-CD2 3.78Å; K172-Y223 HydrophobicContact CB-CE1 3.99Å; K172-Y223 HydrophobicContact CB-CE2 3.35Å; K172-Y223 HydrophobicContact CB-CG 4.26Å; K172-Y223 VanDerWaalsContact CB-CZ 3.46Å; I173-Y223 PolarHBondContact N-OH 3.23Å; T220-Y223 HydrophobicContact CG2-CD2 3.86Å; T220-Y223 HydrophobicContact CG2-CE2 4.44Å; T220-Y223 PolarHBondContact O-N 3.3Å; P221-Y223 VanDerWaalsContact C-N 3.34Å; Y223-A225 PolarHBondContact O-N 2.68Å; Y223-A245 HydrophobicContact CD1-CB 4.34Å; Y223-C248 HydrophobicContact CD1-CB 3.59Å; Y223-C248 HydrophobicContact CE1-CB 3.74Å; Y223-I249 HydrophobicContact CE1-CG1 4.1Å; Y223-H258 AromaticContact CD1-NE2 3.81Å; Y223-H258 AromaticContact CE1-CD2 3.94Å; Y223-H258 AromaticContact CE1-NE2 3.61Å; Y223-H258 AromaticContact CE2-NE2 3.97Å; Y223-H258 AromaticContact CZ-CD2 3.73Å; Y223-H258 AromaticContact CZ-NE2 3.71Å |
| 224 | R | 96 | Very high | 92.4 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 6% | 0.057 | 17% | 0.174 | C | C | . | . | trans | -61 | 135.6 | 176.1 | -72.2 | 175 | -170 | 163.6 | 7.8 | 110.8 | E216 T219 T220 M228 L229 W244 I268 | E216-R224 PolarHBondContact O-NH2 3.19Å; E216-R224 IonicContact OE2-NH1 2.71Å; T219-R224 PolarHBondContact O-NH2 2.9Å; T219-R224 WeakPolarHBondContact OG1-CG 3.26Å; T219-R224 PolarHBondContact OG1-NE 3.42Å; T219-R224 PolarHBondContact OG1-NH2 2.59Å; T220-R224 PolarHBondContact O-N 2.86Å; R224-M228 HydrophobicContact CB-CB 4.34Å; R224-M228 HydrophobicContact CB-SD 4.41Å; R224-M228 HydrophobicContact CG-SD 4.42Å; R224-L229 HydrophobicContact CB-CD2 3.97Å; R224-L229 HydrophobicContact CB-CG 4.14Å; R224-L229 HydrophobicContact CG-CD2 4.39Å; R224-W244 PolarHBondContact O-NE1 2.85Å; R224-I268 WeakPolarHBondContact O-CG2 3.35Å | ||
| 225 | A | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -77.9 | 157.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y223 E227 M228 L229 W244 | Y223-A225 PolarHBondContact O-N 2.68Å; A225-E227 VanDerWaalsContact C-N 3.28Å; A225-E227 HydrophobicContact CB-CG 4.38Å; A225-E227 WeakPolarHBondContact CB-OE1 3.48Å; A225-E227 VanDerWaalsContact CB-OE2 3.28Å; A225-E227 WeakPolarHBondContact CB-OE2 3.26Å; A225-E227 PolarHBondContact O-N 3.03Å; A225-M228 HydrophobicContact CB-SD 4.47Å; A225-M228 WeakPolarHBondContact O-CB 3.4Å; A225-M228 PolarHBondContact O-N 3.26Å; A225-L229 PolarHBondContact O-N 3.45Å; A225-W244 HydrophobicContact CB-CB 3.7Å; A225-W244 HydrophobicContact CB-CD2 4.21Å; A225-W244 HydrophobicContact CB-CG 3.66Å | ||
| 226 | P | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.2 | -41.6 | 179.5 | -31 | 38.6 | 0 | 0 | 0 | 114 | M228 L229 D230 W244 I268 L269 I296 | P226-M228 PolarHBondContact O-N 3.21Å; P226-L229 PolarHBondContact O-N 2.78Å; P226-D230 PolarHBondContact O-N 2.81Å; P226-W244 HydrophobicContact CG-CE3 4.19Å; P226-W244 HydrophobicContact CG-CH2 3.63Å; P226-W244 HydrophobicContact CG-CZ2 4.11Å; P226-W244 HydrophobicContact CG-CZ3 3.68Å; P226-I268 HydrophobicContact CG-CG2 4.33Å; P226-L269 HydrophobicContact CB-CD2 4.29Å; P226-I296 HydrophobicContact CB-CG2 4.04Å; P226-I296 HydrophobicContact CG-CG2 4.26Å |
| 227 | E | 96 | Very high | 93 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -22.6 | 177.8 | 66.9 | -85.8 | -164.2 | 0 | 0 | 113.7 | A225 I237 P298 R301 | A225-E227 VanDerWaalsContact C-N 3.28Å; A225-E227 HydrophobicContact CB-CG 4.38Å; A225-E227 WeakPolarHBondContact CB-OE1 3.48Å; A225-E227 VanDerWaalsContact CB-OE2 3.28Å; A225-E227 WeakPolarHBondContact CB-OE2 3.26Å; A225-E227 PolarHBondContact O-N 3.03Å; E227-I237 HydrophobicContact CB-CG1 4.11Å; E227-I237 HydrophobicContact CG-CB 4.37Å; E227-I237 HydrophobicContact CG-CG1 3.87Å; E227-I237 HydrophobicContact CG-CG2 4.4Å; E227-I237 VanDerWaalsContact O-CD1 3.25Å; E227-I237 WeakPolarHBondContact O-CD1 3.43Å; E227-P298 HydrophobicContact CB-CG 4.48Å; E227-P298 HydrophobicContact CG-CG 4.39Å; E227-R301 IonicContact OE1-CZ 3.8Å; E227-R301 IonicContact OE1-NH1 3.66Å; E227-R301 PolarHBondContact OE1-NH1 2.78Å; E227-R301 IonicContact OE1-NH2 3.65Å; E227-R301 IonicContact OE2-CZ 2.85Å; E227-R301 IonicContact OE2-NH1 2.74Å; E227-R301 PolarHBondContact OE2-NH1 2.81Å; E227-R301 IonicContact OE2-NH2 3.5Å; E227-R301 PolarHBondContact OE2-NH2 2.67Å |
| 228 | M | 95.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 3% | 0.034 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -83.1 | -15.3 | 173 | -62.6 | 174.5 | 151.3 | 0 | 0 | 113.2 | R169 L215 T219 R224 A225 P226 I237 S241 | R169-M228 HydrophobicContact CG-CE 4.49Å; L215-M228 HydrophobicContact CD1-CB 4.45Å; L215-M228 HydrophobicContact CD2-CE 4.13Å; L215-M228 HydrophobicContact CD2-CG 4.22Å; T219-M228 HydrophobicContact CG2-CE 3.9Å; T219-M228 HydrophobicContact CG2-SD 4.03Å; R224-M228 HydrophobicContact CB-CB 4.34Å; R224-M228 HydrophobicContact CB-SD 4.41Å; R224-M228 HydrophobicContact CG-SD 4.42Å; A225-M228 HydrophobicContact CB-SD 4.47Å; A225-M228 WeakPolarHBondContact O-CB 3.4Å; A225-M228 PolarHBondContact O-N 3.26Å; P226-M228 PolarHBondContact O-N 3.21Å; M228-I237 HydrophobicContact CE-CG2 4Å; M228-I237 HydrophobicContact CG-CG2 3.8Å; M228-S241 VanDerWaalsContact CE-CB 3.5Å; M228-S241 VanDerWaalsContact CE-OG 3.31Å; M228-S241 WeakPolarHBondContact CE-OG 2.95Å |
| 229 | L | 92.9 | Very high | 93.9 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -100.9 | -29.4 | -178.1 | -66.8 | -173.4 | 0 | 0 | 0 | 113.3 | R224 A225 P226 K265 I268 L269 | R224-L229 HydrophobicContact CB-CD2 3.97Å; R224-L229 HydrophobicContact CB-CG 4.14Å; R224-L229 HydrophobicContact CG-CD2 4.39Å; A225-L229 PolarHBondContact O-N 3.45Å; P226-L229 PolarHBondContact O-N 2.78Å; L229-K265 HydrophobicContact CD1-CB 4.14Å; L229-K265 HydrophobicContact CD1-CG 4.08Å; L229-K265 HydrophobicContact CD2-CD 4.11Å; L229-K265 HydrophobicContact CD2-CG 4.09Å; L229-I268 HydrophobicContact CD1-CB 3.65Å; L229-I268 HydrophobicContact CD1-CD1 3.98Å; L229-I268 HydrophobicContact CD1-CG1 4.41Å; L229-I268 HydrophobicContact CD1-CG2 3.43Å; L229-I268 VanDerWaalsContact CD1-CG2 3.43Å; L229-I268 HydrophobicContact CG-CG2 4.41Å; L229-L269 HydrophobicContact CB-CD2 3.85Å; L229-L269 HydrophobicContact CB-CG 4.15Å; L229-L269 HydrophobicContact CD1-CG 4.31Å |
| 230 | D | 92.2 | Very high | 94.1 | Very high | 44 Ų | 44 | 33.5 Ų | 33.5 | 24% | 0.235 | 17% | 0.17 | C | C | . | . | trans | -135.6 | 93.6 | 178.1 | -179.4 | 9.3 | 0 | 0 | 0 | 111.2 | P226 Y232 Q233 L269 | P226-D230 PolarHBondContact O-N 2.81Å; D230-Y232 PolarHBondContact O-N 3.48Å; D230-Y232 WeakPolarHBondContact OD1-CB 3.37Å; D230-Y232 PolarHBondContact OD1-N 2.84Å; D230-Q233 WeakPolarHBondContact OD2-CG 3.47Å; D230-Q233 PolarHBondContact OD2-NE2 2.8Å; D230-L269 HydrophobicContact CB-CD2 3.54Å | ||
| 231 | L | 92.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -64.6 | -21.5 | 176.2 | -56.1 | -179.4 | 0 | 0 | 0 | 112.6 | P199 R208 V211 Q212 L215 Q233 N234 I237 | P199-L231 HydrophobicContact CB-CB 4.5Å; P199-L231 HydrophobicContact CG-CD2 4.23Å; R208-L231 HydrophobicContact CB-CD1 3.9Å; R208-L231 HydrophobicContact CG-CD1 4.35Å; R208-L231 PolarHBondContact NH1-O 2.8Å; R208-L231 WeakPolarHBondContact O-CD1 3.46Å; V211-L231 HydrophobicContact CB-CD1 4.49Å; Q212-L231 HydrophobicContact CB-CD1 4.21Å; L215-L231 HydrophobicContact CD1-CD2 4.21Å; L231-Q233 VanDerWaalsContact C-N 3.28Å; L231-Q233 PolarHBondContact O-N 2.78Å; L231-N234 PolarHBondContact O-N 3.34Å; L231-N234 VanDerWaalsContact O-N 3.09Å; L231-I237 HydrophobicContact CD2-CD1 3.51Å |
| 232 | Y | 90.1 | Very high | 94.9 | Very high | 145 Ų | 145 | 30 Ų | 30 | 57% | 0.569 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -76.1 | -14.4 | -173.2 | -66.9 | -85.7 | 0 | 0 | 0 | 113.4 | D230 N234 | D230-Y232 PolarHBondContact O-N 3.48Å; D230-Y232 WeakPolarHBondContact OD1-CB 3.37Å; D230-Y232 PolarHBondContact OD1-N 2.84Å; Y232-N234 PolarHBondContact O-N 2.79Å; Y232-N234 PolarHBondContact O-ND2 3.49Å |
| 233 | Q | 89 | Confident | 95.3 | Very high | 73 Ų | 73 | 28.1 Ų | 28.1 | 34% | 0.341 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -70.1 | -10.6 | 166.4 | -72.9 | 174.7 | 60.1 | 0 | 0 | 113.3 | D230 L231 Y235 | D230-Q233 WeakPolarHBondContact OD2-CG 3.47Å; D230-Q233 PolarHBondContact OD2-NE2 2.8Å; L231-Q233 VanDerWaalsContact C-N 3.28Å; L231-Q233 PolarHBondContact O-N 2.78Å; Q233-Y235 HydrophobicContact CB-CD2 3.74Å; Q233-Y235 HydrophobicContact CB-CE2 3.98Å; Q233-Y235 PolarHBondContact O-N 3.44Å |
| 234 | N | 91.7 | Very high | 95.4 | Very high | 58 Ų | 58 | 27.5 Ų | 27.5 | 31% | 0.31 | 14% | 0.136 | S | C | . | . | trans | 60.1 | 24.2 | 176.1 | -52.2 | -60.2 | 0 | 0 | 0 | 114.4 | P199 R208 L231 Y232 | P199-N234 CarbonylContact O-C 3.45Å; P199-N234 VanDerWaalsContact O-CA 3.29Å; P199-N234 WeakPolarHBondContact O-CA 3.41Å; P199-N234 VanDerWaalsContact O-CB 3.24Å; P199-N234 WeakPolarHBondContact O-CB 3.28Å; R208-N234 PolarHBondContact NH2-OD1 3.18Å; L231-N234 PolarHBondContact O-N 3.34Å; L231-N234 VanDerWaalsContact O-N 3.09Å; Y232-N234 PolarHBondContact O-N 2.79Å; Y232-N234 PolarHBondContact O-ND2 3.49Å | ||
| 235 | Y | 95.5 | Very high | 95.5 | Very high | 64 Ų | 64 | 27 Ų | 27 | 25% | 0.251 | 14% | 0.136 | S | C | . | . | trans | -75.2 | 139.5 | 171.1 | -72.8 | -51.5 | 0 | 0 | 0 | 111.1 | P199 Q233 N297 P298 | P199-Y235 VanDerWaalsContact CD-O 3.24Å; P199-Y235 WeakPolarHBondContact CD-O 3.19Å; Q233-Y235 HydrophobicContact CB-CD2 3.74Å; Q233-Y235 HydrophobicContact CB-CE2 3.98Å; Q233-Y235 PolarHBondContact O-N 3.44Å; Y235-N297 HydrophobicContact CE1-CB 4.01Å; Y235-N297 VanDerWaalsContact CE1-CG 3.43Å; Y235-N297 WeakPolarHBondContact CE1-OD1 3.44Å; Y235-P298 HydrophobicContact CD1-CG 4.21Å; Y235-P298 HydrophobicContact CG-CG 4.05Å | ||
| 236 | P | 94.9 | Very high | 95.6 | Very high | 48 Ų | 48 | 27 Ų | 27 | 31% | 0.312 | 14% | 0.136 | S | C | . | . | trans | -70.2 | 138.8 | 177 | 30 | -34.7 | 0 | 0 | 0 | 111.2 | Y197 | Y197-P236 CarbonylContact O-C 3.43Å; Y197-P236 WeakPolarHBondContact O-CA 3.49Å | ||
| 237 | I | 97.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -105.2 | 107.5 | 176.7 | -45.8 | 175 | 0 | 0 | 0 | 107.6 | T196 Y197 L215 E227 M228 L231 | T196-I237 WeakPolarHBondContact CG2-O 3.49Å; Y197-I237 PolarHBondContact N-O 3.37Å; Y197-I237 PolarHBondContact O-N 2.78Å; L215-I237 HydrophobicContact CD1-CD1 3.55Å; L215-I237 HydrophobicContact CD2-CG2 4.35Å; E227-I237 HydrophobicContact CB-CG1 4.11Å; E227-I237 HydrophobicContact CG-CB 4.37Å; E227-I237 HydrophobicContact CG-CG1 3.87Å; E227-I237 HydrophobicContact CG-CG2 4.4Å; E227-I237 VanDerWaalsContact O-CD1 3.25Å; E227-I237 WeakPolarHBondContact O-CD1 3.43Å; M228-I237 HydrophobicContact CE-CG2 4Å; M228-I237 HydrophobicContact CG-CG2 3.8Å; L231-I237 HydrophobicContact CD2-CD1 3.51Å |
| 238 | G | 96.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -152.7 | -146.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P240 S241 | G238-P240 VanDerWaalsContact C-N 3.27Å; G238-P240 VanDerWaalsContact O-N 3.17Å; G238-S241 WeakPolarHBondContact O-CB 3.44Å; G238-S241 PolarHBondContact O-N 3.39Å; G238-S241 PolarHBondContact O-OG 2.83Å |
| 239 | T | 98.1 | Very high | 95.9 | Very high | 43 Ų | 43 | 26.6 Ų | 26.6 | 26% | 0.264 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -52.4 | -30.5 | 175.7 | 49.5 | 0 | 0 | 0 | 0 | 115.2 | H160 P165 I167 S241 D242 I243 | H160-T239 HydrophobicContact CB-CG2 4.18Å; H160-T239 VanDerWaalsContact CD2-CG2 3.5Å; H160-T239 WeakPolarHBondContact CD2-CG2 3.21Å; H160-T239 PolarHBondContact CE1-O 2.89Å; P165-T239 HydrophobicContact CB-CG2 4Å; I167-T239 HydrophobicContact CG1-CG2 4.01Å; T239-S241 PolarHBondContact O-N 3.43Å; T239-S241 VanDerWaalsContact O-N 3.12Å; T239-D242 PolarHBondContact O-N 3.18Å; T239-D242 VanDerWaalsContact O-N 3.17Å; T239-I243 PolarHBondContact O-N 3.34Å |
| 240 | P | 98.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 25.8 Ų | 25.8 | 23% | 0.227 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.4 | -18.6 | 173.8 | -26.7 | 37.5 | 0 | 0 | 0 | 115.4 | G238 I243 W244 P298 R301 | G238-P240 VanDerWaalsContact C-N 3.27Å; G238-P240 VanDerWaalsContact O-N 3.17Å; P240-I243 WeakPolarHBondContact O-CB 3.08Å; P240-I243 PolarHBondContact O-N 2.68Å; P240-W244 PolarHBondContact O-N 3.39Å; P240-W244 VanDerWaalsContact O-N 3.15Å; P240-P298 HydrophobicContact CB-CB 3.52Å; P240-P298 HydrophobicContact CG-CB 4.18Å; P240-R301 PolarHBondContact O-NH1 3.26Å |
| 241 | S | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 3% | 0.028 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74.9 | -33.9 | 176.8 | 65.6 | 0 | 0 | 0 | 0 | 112.4 | M228 G238 T239 I243 W244 A245 | M228-S241 VanDerWaalsContact CE-CB 3.5Å; M228-S241 VanDerWaalsContact CE-OG 3.31Å; M228-S241 WeakPolarHBondContact CE-OG 2.95Å; G238-S241 WeakPolarHBondContact O-CB 3.44Å; G238-S241 PolarHBondContact O-N 3.39Å; G238-S241 PolarHBondContact O-OG 2.83Å; T239-S241 PolarHBondContact O-N 3.43Å; T239-S241 VanDerWaalsContact O-N 3.12Å; S241-I243 VanDerWaalsContact C-N 3.28Å; S241-I243 PolarHBondContact O-N 3.24Å; S241-W244 PolarHBondContact O-N 2.73Å; S241-A245 PolarHBondContact O-N 3.26Å |
| 242 | D | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.3 | -34.4 | 167.9 | -72.6 | -22.6 | 0 | 0 | 0 | 110.8 | V156 H160 I167 H168 R169 L171 T239 A245 L246 | V156-D242 HydrophobicContact CG1-CB 4.46Å; H160-D242 IonicContact CD2-OD2 3.83Å; H160-D242 IonicContact CE1-OD2 3.55Å; H160-D242 IonicContact NE2-OD2 3.45Å; H160-D242 PolarHBondContact NE2-OD2 3.16Å; I167-D242 WeakPolarHBondContact CA-OD2 3.34Å; H168-D242 PolarHBondContact N-OD1 2.85Å; H168-D242 PolarHBondContact N-OD2 2.89Å; R169-D242 PolarHBondContact N-OD1 2.9Å; L171-D242 HydrophobicContact CD1-CB 3.64Å; T239-D242 PolarHBondContact O-N 3.18Å; T239-D242 VanDerWaalsContact O-N 3.17Å; D242-A245 PolarHBondContact O-N 3.39Å; D242-L246 WeakPolarHBondContact O-CG 3.12Å; D242-L246 PolarHBondContact O-N 3.03Å |
| 243 | I | 98.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 176.3 | -55.4 | -51.5 | 0 | 0 | 0 | 111.8 | T239 P240 S241 L246 G247 L293 R301 P302 I304 I307 | T239-I243 PolarHBondContact O-N 3.34Å; P240-I243 WeakPolarHBondContact O-CB 3.08Å; P240-I243 PolarHBondContact O-N 2.68Å; S241-I243 VanDerWaalsContact C-N 3.28Å; S241-I243 PolarHBondContact O-N 3.24Å; I243-L246 HydrophobicContact CD1-CD1 4.15Å; I243-L246 WeakPolarHBondContact O-CB 3.32Å; I243-L246 PolarHBondContact O-N 3.17Å; I243-G247 PolarHBondContact O-N 2.96Å; I243-L293 HydrophobicContact CG2-CD2 3.43Å; I243-L293 VanDerWaalsContact CG2-CD2 3.43Å; I243-R301 HydrophobicContact CG2-CB 4.08Å; I243-P302 WeakPolarHBondContact CG2-O 3.29Å; I243-I304 HydrophobicContact CD1-CB 4.11Å; I243-I304 HydrophobicContact CD1-CD1 4.11Å; I243-I307 HydrophobicContact CD1-CD1 3.91Å; I243-I307 HydrophobicContact CG2-CD1 3.74Å |
| 244 | W | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 172.1 | 174.5 | -84.1 | 0 | 0 | 0 | 111.8 | R224 A225 P226 P240 S241 L246 G247 C248 F260 I268 A271 L294 | R224-W244 PolarHBondContact O-NE1 2.85Å; A225-W244 HydrophobicContact CB-CB 3.7Å; A225-W244 HydrophobicContact CB-CD2 4.21Å; A225-W244 HydrophobicContact CB-CG 3.66Å; P226-W244 HydrophobicContact CG-CE3 4.19Å; P226-W244 HydrophobicContact CG-CH2 3.63Å; P226-W244 HydrophobicContact CG-CZ2 4.11Å; P226-W244 HydrophobicContact CG-CZ3 3.68Å; P240-W244 PolarHBondContact O-N 3.39Å; P240-W244 VanDerWaalsContact O-N 3.15Å; S241-W244 PolarHBondContact O-N 2.73Å; W244-L246 VanDerWaalsContact C-N 3.32Å; W244-L246 PolarHBondContact O-N 3.45Å; W244-G247 WeakPolarHBondContact O-CA 3.49Å; W244-G247 PolarHBondContact O-N 3.06Å; W244-C248 PolarHBondContact O-N 3.39Å; W244-F260 AromaticContact CE2-CE2 3.99Å; W244-F260 HydrophobicContact CH2-CE2 4.28Å; W244-F260 HydrophobicContact CH2-CZ 4.02Å; W244-F260 HydrophobicContact CZ2-CD2 4.43Å; W244-F260 AromaticContact CZ2-CE2 3.41Å; W244-F260 HydrophobicContact CZ2-CE2 3.41Å; W244-F260 VanDerWaalsContact CZ2-CE2 3.41Å; W244-F260 AromaticContact CZ2-CZ 3.56Å; W244-F260 HydrophobicContact CZ2-CZ 3.56Å; W244-I268 HydrophobicContact CZ2-CG2 3.77Å; W244-A271 HydrophobicContact CH2-CB 4Å; W244-A271 HydrophobicContact CZ3-CB 4.33Å; W244-L294 HydrophobicContact CD2-CD2 3.69Å; W244-L294 HydrophobicContact CE3-CB 4.37Å; W244-L294 HydrophobicContact CE3-CD2 3.92Å; W244-L294 HydrophobicContact CG-CD2 4.11Å; W244-L294 HydrophobicContact CH2-CD2 4.43Å; W244-L294 HydrophobicContact CZ2-CD2 4.2Å; W244-L294 VanDerWaalsContact CZ3-C 3.49Å; W244-L294 HydrophobicContact CZ3-CB 4.18Å; W244-L294 HydrophobicContact CZ3-CD2 4.3Å; W244-L294 WeakPolarHBondContact CZ3-O 3.36Å; W244-L294 WeakPolarHBondContact O-CD2 3.16Å |
| 245 | A | 98.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 12.9 Ų | 12.9 | 4% | 0.041 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L171 Y223 S241 D242 G247 C248 I249 | L171-A245 HydrophobicContact CB-CB 3.76Å; Y223-A245 HydrophobicContact CD1-CB 4.34Å; S241-A245 PolarHBondContact O-N 3.26Å; D242-A245 PolarHBondContact O-N 3.39Å; A245-G247 VanDerWaalsContact C-N 3.31Å; A245-G247 PolarHBondContact O-N 2.91Å; A245-C248 WeakPolarHBondContact O-CB 3.33Å; A245-C248 PolarHBondContact O-N 2.89Å; A245-I249 WeakPolarHBondContact O-CG1 3.48Å; A245-I249 PolarHBondContact O-N 2.93Å |
| 246 | L | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.1 | -37.1 | 167.4 | -74.4 | 174.4 | 0 | 0 | 0 | 112.1 | F149 C152 V156 L171 D242 I243 W244 I249 L250 I304 | F149-L246 HydrophobicContact CE2-CB 3.98Å; F149-L246 HydrophobicContact CE2-CD2 3.86Å; F149-L246 HydrophobicContact CE2-CG 4.49Å; F149-L246 VanDerWaalsContact CE2-O 3.3Å; F149-L246 WeakPolarHBondContact CE2-O 3.45Å; F149-L246 HydrophobicContact CZ-CB 3.98Å; F149-L246 HydrophobicContact CZ-CD2 4.4Å; C152-L246 VanDerWaalsContact SG-CD2 3.59Å; V156-L246 HydrophobicContact CB-CD1 4.32Å; V156-L246 HydrophobicContact CG1-CD1 4.2Å; V156-L246 HydrophobicContact CG2-CD1 4.16Å; V156-L246 HydrophobicContact CG2-CD2 4.19Å; V156-L246 HydrophobicContact CG2-CG 4.46Å; L171-L246 HydrophobicContact CD1-CD2 4.36Å; L171-L246 HydrophobicContact CD1-CG 4.09Å; D242-L246 WeakPolarHBondContact O-CG 3.12Å; D242-L246 PolarHBondContact O-N 3.03Å; I243-L246 HydrophobicContact CD1-CD1 4.15Å; I243-L246 WeakPolarHBondContact O-CB 3.32Å; I243-L246 PolarHBondContact O-N 3.17Å; W244-L246 VanDerWaalsContact C-N 3.32Å; W244-L246 PolarHBondContact O-N 3.45Å; L246-I249 HydrophobicContact CD2-CD1 4.47Å; L246-I249 WeakPolarHBondContact O-CB 3.4Å; L246-I249 PolarHBondContact O-N 3.14Å; L246-L250 PolarHBondContact O-N 2.99Å; L246-I304 HydrophobicContact CD1-CD1 3.59Å |
| 247 | G | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.8 | -45.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I243 W244 A245 L250 F251 L293 | I243-G247 PolarHBondContact O-N 2.96Å; W244-G247 WeakPolarHBondContact O-CA 3.49Å; W244-G247 PolarHBondContact O-N 3.06Å; A245-G247 VanDerWaalsContact C-N 3.31Å; A245-G247 PolarHBondContact O-N 2.91Å; G247-L250 PolarHBondContact O-N 3.4Å; G247-F251 WeakPolarHBondContact O-CB 3.38Å; G247-F251 PolarHBondContact O-N 3.28Å; G247-L293 VanDerWaalsContact CA-CB 3.46Å |
| 248 | C | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.1 | -39.3 | 173.6 | -71 | 0 | 0 | 0 | 0 | 112.6 | Y223 W244 A245 Y252 H258 P259 | Y223-C248 HydrophobicContact CD1-CB 3.59Å; Y223-C248 HydrophobicContact CE1-CB 3.74Å; W244-C248 PolarHBondContact O-N 3.39Å; A245-C248 WeakPolarHBondContact O-CB 3.33Å; A245-C248 PolarHBondContact O-N 2.89Å; C248-Y252 WeakPolarHBondContact O-CB 3.21Å; C248-Y252 PolarHBondContact O-N 2.84Å; C248-H258 WeakPolarHBondContact CB-NE2 3.31Å; C248-P259 HydrophobicContact CB-CG 4.17Å |
| 249 | I | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.4 | -50.5 | 175.2 | -76.5 | 170.4 | 0 | 0 | 0 | 111.3 | F149 L171 I173 Y223 A245 L246 F251 Y252 L253 | F149-I249 HydrophobicContact CD2-CG2 3.92Å; F149-I249 HydrophobicContact CE2-CG2 4.06Å; L171-I249 HydrophobicContact CB-CD1 4.22Å; I173-I249 HydrophobicContact CD1-CB 4.12Å; I173-I249 HydrophobicContact CD1-CG1 3.95Å; I173-I249 HydrophobicContact CD1-CG2 3.66Å; Y223-I249 HydrophobicContact CE1-CG1 4.1Å; A245-I249 WeakPolarHBondContact O-CG1 3.48Å; A245-I249 PolarHBondContact O-N 2.93Å; L246-I249 HydrophobicContact CD2-CD1 4.47Å; L246-I249 WeakPolarHBondContact O-CB 3.4Å; L246-I249 PolarHBondContact O-N 3.14Å; I249-F251 VanDerWaalsContact C-N 3.33Å; I249-F251 PolarHBondContact O-N 3.04Å; I249-Y252 PolarHBondContact O-N 3.46Å; I249-Y252 VanDerWaalsContact O-N 3.13Å; I249-L253 HydrophobicContact CG2-CD1 4.04Å; I249-L253 WeakPolarHBondContact O-CG 3.37Å; I249-L253 PolarHBondContact O-N 2.82Å |
| 250 | L | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.5 | -38.7 | 180 | -176.6 | 58.3 | 0 | 0 | 0 | 111.5 | I145 F149 L246 G247 L253 T254 F286 L289 I290 L293 | I145-L250 HydrophobicContact CG2-CD1 3.73Å; F149-L250 HydrophobicContact CB-CD1 4.27Å; F149-L250 HydrophobicContact CD1-CB 4.49Å; F149-L250 HydrophobicContact CD1-CD1 3.91Å; F149-L250 HydrophobicContact CD1-CD2 4.13Å; F149-L250 HydrophobicContact CD1-CG 4.4Å; F149-L250 HydrophobicContact CD2-CB 4.07Å; F149-L250 HydrophobicContact CD2-CD1 4.33Å; F149-L250 HydrophobicContact CE1-CB 4.2Å; F149-L250 HydrophobicContact CE1-CD1 4.34Å; F149-L250 HydrophobicContact CE1-CD2 3.78Å; F149-L250 HydrophobicContact CE1-CG 4.33Å; F149-L250 HydrophobicContact CE2-CB 3.76Å; F149-L250 HydrophobicContact CG-CB 4.43Å; F149-L250 HydrophobicContact CG-CD1 3.91Å; F149-L250 HydrophobicContact CZ-CB 3.83Å; F149-L250 HydrophobicContact CZ-CD2 4.15Å; F149-L250 HydrophobicContact CZ-CG 4.45Å; L246-L250 PolarHBondContact O-N 2.99Å; G247-L250 PolarHBondContact O-N 3.4Å; L250-L253 PolarHBondContact O-N 2.91Å; L250-T254 WeakPolarHBondContact O-CB 3.46Å; L250-T254 PolarHBondContact O-N 2.65Å; L250-T254 PolarHBondContact O-OG1 3.03Å; L250-F286 HydrophobicContact CD1-CB 4.13Å; L250-F286 HydrophobicContact CD1-CD1 4.06Å; L250-F286 HydrophobicContact CD1-CG 4.12Å; L250-F286 HydrophobicContact CD2-CB 4.29Å; L250-F286 HydrophobicContact CG-CB 4.3Å; L250-L289 HydrophobicContact CD2-CB 4.07Å; L250-L289 HydrophobicContact CD2-CD2 3.83Å; L250-L289 HydrophobicContact CD2-CG 3.85Å; L250-I290 HydrophobicContact CB-CG1 4.09Å; L250-I290 HydrophobicContact CD2-CG1 3.83Å; L250-I290 HydrophobicContact CG-CD1 4.14Å; L250-I290 HydrophobicContact CG-CG1 3.73Å; L250-L293 HydrophobicContact CB-CD1 4.43Å; L250-L293 HydrophobicContact CD2-CD1 4Å |
| 251 | F | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 171 | -174.6 | -73.2 | 0 | 0 | 0 | 111 | G247 I249 L253 T254 C255 Y257 P259 Y273 S274 I275 I290 | G247-F251 WeakPolarHBondContact O-CB 3.38Å; G247-F251 PolarHBondContact O-N 3.28Å; I249-F251 VanDerWaalsContact C-N 3.33Å; I249-F251 PolarHBondContact O-N 3.04Å; F251-L253 PolarHBondContact O-N 3.03Å; F251-T254 PolarHBondContact O-N 3.2Å; F251-C255 HydrophobicContact CD1-CB 3.83Å; F251-C255 HydrophobicContact CE1-CB 3.51Å; F251-C255 HydrophobicContact CZ-CB 3.92Å; F251-C255 VanDerWaalsContact CZ-SG 3.55Å; F251-C255 WeakPolarHBondContact O-CB 3.2Å; F251-C255 PolarHBondContact O-N 3.47Å; F251-C255 PolarHBondContact O-SG 3.18Å; F251-C255 VanDerWaalsContact O-SG 3.41Å; F251-Y257 WeakPolarHBondContact CD1-O 3.26Å; F251-Y257 AromaticContact CE1-CD2 3.79Å; F251-Y257 HydrophobicContact CE1-CD2 3.79Å; F251-Y257 AromaticContact CE1-CE2 3.52Å; F251-Y257 HydrophobicContact CE1-CE2 3.52Å; F251-Y257 HydrophobicContact CE1-CG 4.38Å; F251-Y257 AromaticContact CE1-CZ 3.93Å; F251-Y257 VanDerWaalsContact CE1-O 3.26Å; F251-Y257 WeakPolarHBondContact CE1-O 3.48Å; F251-Y257 HydrophobicContact CZ-CD2 4.34Å; F251-Y257 AromaticContact CZ-CE2 3.6Å; F251-Y257 HydrophobicContact CZ-CE2 3.6Å; F251-Y257 AromaticContact CZ-CZ 3.79Å; F251-P259 HydrophobicContact CB-CG 4.15Å; F251-P259 HydrophobicContact CD1-CB 3.84Å; F251-P259 VanDerWaalsContact CD1-CD 3.43Å; F251-P259 HydrophobicContact CD1-CG 4.02Å; F251-P259 HydrophobicContact CD2-CB 4.04Å; F251-P259 HydrophobicContact CE1-CB 4.01Å; F251-P259 HydrophobicContact CE2-CB 4.22Å; F251-P259 HydrophobicContact CG-CB 3.86Å; F251-P259 HydrophobicContact CG-CG 4Å; F251-P259 HydrophobicContact CZ-CB 4.2Å; F251-Y273 HydrophobicContact CD2-CD2 4Å; F251-Y273 HydrophobicContact CD2-CE2 4.46Å; F251-Y273 AromaticContact CE2-CD2 3.78Å; F251-Y273 HydrophobicContact CE2-CD2 3.78Å; F251-S274 WeakPolarHBondContact CE2-O 3.4Å; F251-S274 VanDerWaalsContact CZ-O 3.24Å; F251-S274 WeakPolarHBondContact CZ-O 3.35Å; F251-I275 HydrophobicContact CD2-CG1 4.22Å; F251-I275 HydrophobicContact CE2-CG1 3.89Å; F251-I290 HydrophobicContact CB-CD1 4.19Å; F251-I290 HydrophobicContact CB-CG1 4.44Å; F251-I290 HydrophobicContact CB-CG2 4.39Å; F251-I290 HydrophobicContact CD2-CG2 4.04Å |
| 252 | Y | 94.2 | Very high | 93.2 | Very high | 42 Ų | 42 | 14.9 Ų | 14.9 | 17% | 0.165 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 179.6 | -169.3 | -83.9 | 0 | 0 | 0 | 112.3 | L131 I173 C248 I249 T254 T256 Y257 H258 | L131-Y252 HydrophobicContact CD1-CD1 3.94Å; L131-Y252 HydrophobicContact CD1-CE1 3.62Å; I173-Y252 HydrophobicContact CG1-CD1 4.25Å; C248-Y252 WeakPolarHBondContact O-CB 3.21Å; C248-Y252 PolarHBondContact O-N 2.84Å; I249-Y252 PolarHBondContact O-N 3.46Å; I249-Y252 VanDerWaalsContact O-N 3.13Å; Y252-T254 VanDerWaalsContact C-N 3.32Å; Y252-T254 PolarHBondContact O-N 3.5Å; Y252-T256 VanDerWaalsContact O-CA 3.3Å; Y252-T256 WeakPolarHBondContact O-CA 3.02Å; Y252-T256 PolarHBondContact O-N 3.14Å; Y252-Y257 WeakPolarHBondContact CA-O 3.41Å; Y252-Y257 VanDerWaalsContact CD2-C 3.46Å; Y252-H258 HydrophobicContact CD2-CB 4.11Å |
| 253 | L | 93.6 | Very high | 92 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64 | -34.9 | 177.8 | -66.4 | 170.6 | 0 | 0 | 0 | 112.9 | L131 L140 I145 I148 F149 I173 I249 L250 F251 | L131-L253 HydrophobicContact CD1-CD2 4.26Å; L131-L253 HydrophobicContact CD2-CD2 3.83Å; L140-L253 HydrophobicContact CD1-CD2 4.14Å; I145-L253 WeakPolarHBondContact CD1-O 3.35Å; I145-L253 HydrophobicContact CG1-CB 4.37Å; I145-L253 HydrophobicContact CG2-CB 3.99Å; I148-L253 HydrophobicContact CB-CD1 4.29Å; I148-L253 HydrophobicContact CD1-CD2 4.21Å; I148-L253 HydrophobicContact CG2-CD1 3.66Å; I148-L253 HydrophobicContact CG2-CD2 4.12Å; F149-L253 HydrophobicContact CB-CD1 4.37Å; I173-L253 HydrophobicContact CD1-CD2 4.24Å; I173-L253 HydrophobicContact CD1-CG 4.22Å; I249-L253 HydrophobicContact CG2-CD1 4.04Å; I249-L253 WeakPolarHBondContact O-CG 3.37Å; I249-L253 PolarHBondContact O-N 2.82Å; L250-L253 PolarHBondContact O-N 2.91Å; F251-L253 PolarHBondContact O-N 3.03Å |
| 254 | T | 92.1 | Very high | 91 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -84.4 | -38.4 | -177.7 | -50.3 | 0 | 0 | 0 | 0 | 112.9 | L250 F251 Y252 I279 N283 F286 | L250-T254 WeakPolarHBondContact O-CB 3.46Å; L250-T254 PolarHBondContact O-N 2.65Å; L250-T254 PolarHBondContact O-OG1 3.03Å; F251-T254 PolarHBondContact O-N 3.2Å; Y252-T254 VanDerWaalsContact C-N 3.32Å; Y252-T254 PolarHBondContact O-N 3.5Å; T254-I279 HydrophobicContact CG2-CD1 4.08Å; T254-N283 HydrophobicContact CG2-CB 4.07Å; T254-F286 HydrophobicContact CG2-CB 4.37Å |
| 255 | C | 88.4 | Confident | 90.3 | Very high | 10 Ų | 10 | 21.5 Ų | 21.5 | 7% | 0.068 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -102 | -16.1 | -170.6 | -57.6 | 0 | 0 | 0 | 0 | 113.7 | F251 Y257 P276 | F251-C255 HydrophobicContact CD1-CB 3.83Å; F251-C255 HydrophobicContact CE1-CB 3.51Å; F251-C255 HydrophobicContact CZ-CB 3.92Å; F251-C255 VanDerWaalsContact CZ-SG 3.55Å; F251-C255 WeakPolarHBondContact O-CB 3.2Å; F251-C255 PolarHBondContact O-N 3.47Å; F251-C255 PolarHBondContact O-SG 3.18Å; F251-C255 VanDerWaalsContact O-SG 3.41Å; C255-Y257 VanDerWaalsContact C-N 3.27Å; C255-Y257 HydrophobicContact CB-CD1 4.01Å; C255-Y257 HydrophobicContact CB-CE1 3.8Å; C255-Y257 WeakPolarHBondContact O-CD1 3.2Å; C255-Y257 PolarHBondContact O-N 3.3Å; C255-P276 HydrophobicContact CB-CG 4.48Å |
| 256 | T | 87.9 | Confident | 89.4 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 60.9 | 25.4 | -170.4 | 74.5 | 0 | 0 | 0 | 0 | 114.8 | P132 S134 K135 P139 Y252 | P132-T256 HydrophobicContact CB-CG2 4.19Å; P132-T256 HydrophobicContact CG-CG2 4.24Å; S134-T256 CarbonylContact C-O 3.53Å; S134-T256 WeakPolarHBondContact CA-O 3.13Å; S134-T256 WeakPolarHBondContact CB-O 3.47Å; K135-T256 WeakPolarHBondContact CA-OG1 3.43Å; K135-T256 PolarHBondContact N-O 2.92Å; K135-T256 PolarHBondContact N-OG1 3.41Å; K135-T256 VanDerWaalsContact N-OG1 3.12Å; P139-T256 HydrophobicContact CB-CG2 4.39Å; Y252-T256 VanDerWaalsContact O-CA 3.3Å; Y252-T256 WeakPolarHBondContact O-CA 3.02Å; Y252-T256 PolarHBondContact O-N 3.14Å |
| 257 | Y | 88.6 | Confident | 88.7 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 8% | 0.075 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -154.9 | 162.4 | 168 | 62.3 | -87.8 | 0 | 0 | 0 | 109.7 | K135 F251 Y252 C255 S274 P276 | K135-Y257 HydrophobicContact CG-CD1 4.05Å; K135-Y257 HydrophobicContact CG-CG 4.39Å; F251-Y257 WeakPolarHBondContact CD1-O 3.26Å; F251-Y257 AromaticContact CE1-CD2 3.79Å; F251-Y257 HydrophobicContact CE1-CD2 3.79Å; F251-Y257 AromaticContact CE1-CE2 3.52Å; F251-Y257 HydrophobicContact CE1-CE2 3.52Å; F251-Y257 HydrophobicContact CE1-CG 4.38Å; F251-Y257 AromaticContact CE1-CZ 3.93Å; F251-Y257 VanDerWaalsContact CE1-O 3.26Å; F251-Y257 WeakPolarHBondContact CE1-O 3.48Å; F251-Y257 HydrophobicContact CZ-CD2 4.34Å; F251-Y257 AromaticContact CZ-CE2 3.6Å; F251-Y257 HydrophobicContact CZ-CE2 3.6Å; F251-Y257 AromaticContact CZ-CZ 3.79Å; Y252-Y257 WeakPolarHBondContact CA-O 3.41Å; Y252-Y257 VanDerWaalsContact CD2-C 3.46Å; C255-Y257 VanDerWaalsContact C-N 3.27Å; C255-Y257 HydrophobicContact CB-CD1 4.01Å; C255-Y257 HydrophobicContact CB-CE1 3.8Å; C255-Y257 WeakPolarHBondContact O-CD1 3.2Å; C255-Y257 PolarHBondContact O-N 3.3Å; Y257-S274 PolarHBondContact OH-O 2.82Å; Y257-P276 HydrophobicContact CE1-CG 3.85Å; Y257-P276 WeakPolarHBondContact OH-CD 3.5Å; Y257-P276 VanDerWaalsContact OH-CG 3.29Å; Y257-P276 WeakPolarHBondContact OH-CG 3.47Å |
| 258 | H | 92.5 | Very high | 88.4 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | trans | -82.8 | 138.7 | -177.6 | -171.8 | -91.7 | 0 | 0 | 0 | 110.8 | M222 Y223 C248 Y252 F260 E261 | M222-H258 HydrophobicContact CE-CB 3.8Å; M222-H258 VanDerWaalsContact CE-CG 3.45Å; M222-H258 PolarHBondContact O-CE1 3.14Å; M222-H258 VanDerWaalsContact O-CE1 3.24Å; Y223-H258 AromaticContact CD1-NE2 3.81Å; Y223-H258 AromaticContact CE1-CD2 3.94Å; Y223-H258 AromaticContact CE1-NE2 3.61Å; Y223-H258 AromaticContact CE2-NE2 3.97Å; Y223-H258 AromaticContact CZ-CD2 3.73Å; Y223-H258 AromaticContact CZ-NE2 3.71Å; C248-H258 WeakPolarHBondContact CB-NE2 3.31Å; Y252-H258 HydrophobicContact CD2-CB 4.11Å; H258-F260 PolarHBondContact ND1-N 3.15Å; H258-F260 VanDerWaalsContact ND1-N 3.13Å; H258-F260 PolarHBondContact O-N 3.32Å; H258-F260 VanDerWaalsContact O-N 3.08Å; H258-E261 HydrophobicContact CB-CG 3.88Å; H258-E261 PolarHBondContact O-N 3.41Å | ||
| 259 | P | 92 | Very high | 88 | Confident | 15 Ų | 15 | 29.3 Ų | 29.3 | 10% | 0.097 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.9 | -176.3 | 23.4 | -32 | 0 | 0 | 0 | 113.1 | C248 F251 Y273 L294 | C248-P259 HydrophobicContact CB-CG 4.17Å; F251-P259 HydrophobicContact CB-CG 4.15Å; F251-P259 HydrophobicContact CD1-CB 3.84Å; F251-P259 VanDerWaalsContact CD1-CD 3.43Å; F251-P259 HydrophobicContact CD1-CG 4.02Å; F251-P259 HydrophobicContact CD2-CB 4.04Å; F251-P259 HydrophobicContact CE1-CB 4.01Å; F251-P259 HydrophobicContact CE2-CB 4.22Å; F251-P259 HydrophobicContact CG-CB 3.86Å; F251-P259 HydrophobicContact CG-CG 4Å; F251-P259 HydrophobicContact CZ-CB 4.2Å; P259-Y273 HydrophobicContact CB-CG 4.15Å; P259-L294 HydrophobicContact CG-CD1 4.41Å |
| 260 | F | 92.4 | Very high | 87.6 | Confident | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 48.8 | -178.8 | -45.6 | -66.8 | 0 | 0 | 0 | 112.7 | W244 H258 D262 S263 A267 I268 Y273 L294 | W244-F260 AromaticContact CE2-CE2 3.99Å; W244-F260 HydrophobicContact CH2-CE2 4.28Å; W244-F260 HydrophobicContact CH2-CZ 4.02Å; W244-F260 HydrophobicContact CZ2-CD2 4.43Å; W244-F260 AromaticContact CZ2-CE2 3.41Å; W244-F260 HydrophobicContact CZ2-CE2 3.41Å; W244-F260 VanDerWaalsContact CZ2-CE2 3.41Å; W244-F260 AromaticContact CZ2-CZ 3.56Å; W244-F260 HydrophobicContact CZ2-CZ 3.56Å; H258-F260 PolarHBondContact ND1-N 3.15Å; H258-F260 VanDerWaalsContact ND1-N 3.13Å; H258-F260 PolarHBondContact O-N 3.32Å; H258-F260 VanDerWaalsContact O-N 3.08Å; F260-D262 VanDerWaalsContact C-N 3.29Å; F260-D262 PolarHBondContact O-N 3Å; F260-S263 PolarHBondContact O-N 3.04Å; F260-A267 HydrophobicContact CD1-CB 4.07Å; F260-I268 HydrophobicContact CB-CD1 4.39Å; F260-I268 HydrophobicContact CB-CG1 3.96Å; F260-I268 HydrophobicContact CD1-CG1 3.99Å; F260-I268 HydrophobicContact CD2-CG1 3.88Å; F260-I268 HydrophobicContact CE1-CG1 4.48Å; F260-I268 HydrophobicContact CE2-CG1 4.4Å; F260-I268 HydrophobicContact CG-CG1 3.66Å; F260-Y273 HydrophobicContact CE1-CD1 4.15Å; F260-Y273 AromaticContact CZ-CD1 3.82Å; F260-Y273 HydrophobicContact CZ-CD1 3.82Å; F260-Y273 HydrophobicContact CZ-CG 4.48Å; F260-L294 HydrophobicContact CE2-CD2 4.49Å |
| 261 | E | 81.4 | Confident | 87.3 | Confident | 82 Ų | 82 | 35.1 Ų | 35.1 | 38% | 0.383 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | -45.9 | -177.7 | -80.7 | -175.5 | 154.8 | 0 | 0 | 114 | K135 H258 S263 | K135-E261 IonicContact NZ-OE2 3.38Å; H258-E261 HydrophobicContact CB-CG 3.88Å; H258-E261 PolarHBondContact O-N 3.41Å; E261-S263 PolarHBondContact O-N 3.03Å |
| 262 | D | 75.7 | Confident | 87 | Confident | 112 Ų | 112 | 40.4 Ų | 40.4 | 60% | 0.599 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 3.6 | -179.8 | -76.1 | -56.4 | 0 | 0 | 0 | 114.9 | F260 S264 K675 | F260-D262 VanDerWaalsContact C-N 3.29Å; F260-D262 PolarHBondContact O-N 3Å; D262-S264 PolarHBondContact O-N 3.46Å; D262-K675 IonicContact OD1-NZ 3.47Å; D262-K675 PolarHBondContact OD1-NZ 3.27Å |
| 263 | S | 72.4 | Confident | 86.8 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 33% | 0.329 | 22% | 0.217 | S | C | . | . | trans | 52.7 | 26.7 | -176.8 | -55.3 | 0 | 0 | 0 | 0 | 114.6 | F260 E261 K265 | F260-S263 PolarHBondContact O-N 3.04Å; E261-S263 PolarHBondContact O-N 3.03Å; S263-K265 PolarHBondContact O-N 3.37Å; S263-K265 VanDerWaalsContact O-N 3.13Å | ||
| 264 | S | 78.2 | Confident | 86.5 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | trans | -67.1 | 111.5 | -174.5 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | D262 L266 A267 I268 R542 | D262-S264 PolarHBondContact O-N 3.46Å; S264-L266 PolarHBondContact O-N 3.22Å; S264-L266 VanDerWaalsContact O-N 3.13Å; S264-A267 WeakPolarHBondContact O-CB 3.39Å; S264-A267 PolarHBondContact O-N 3.34Å; S264-I268 PolarHBondContact O-N 3.43Å; S264-I268 VanDerWaalsContact O-N 3.15Å; S264-R542 PolarHBondContact OG-NH2 2.89Å | ||
| 265 | K | 83.7 | Confident | 86.2 | Confident | 77 Ų | 77 | 42.2 Ų | 42.2 | 34% | 0.335 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -49.1 | -42.3 | 177.1 | -71 | -159.8 | 178 | -169.8 | 0 | 111.6 | E216 L229 S263 A267 I268 L269 | E216-K265 IonicContact OE1-NZ 3.71Å; E216-K265 PolarHBondContact OE1-NZ 3.29Å; L229-K265 HydrophobicContact CD1-CB 4.14Å; L229-K265 HydrophobicContact CD1-CG 4.08Å; L229-K265 HydrophobicContact CD2-CD 4.11Å; L229-K265 HydrophobicContact CD2-CG 4.09Å; S263-K265 PolarHBondContact O-N 3.37Å; S263-K265 VanDerWaalsContact O-N 3.13Å; K265-A267 PolarHBondContact O-N 2.73Å; K265-I268 PolarHBondContact O-N 3.22Å; K265-L269 HydrophobicContact CB-CD1 4.44Å; K265-L269 VanDerWaalsContact O-CB 3.28Å; K265-L269 WeakPolarHBondContact O-CB 3.32Å; K265-L269 WeakPolarHBondContact O-CD1 3.49Å; K265-L269 WeakPolarHBondContact O-CG 3.34Å; K265-L269 PolarHBondContact O-N 3.42Å |
| 266 | L | 78.9 | Confident | 85.9 | Confident | 115 Ų | 115 | 42.3 Ų | 42.3 | 60% | 0.602 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -66.2 | -27.7 | 176.9 | -82.4 | 170.1 | 0 | 0 | 0 | 114.9 | S264 N270 | S264-L266 PolarHBondContact O-N 3.22Å; S264-L266 VanDerWaalsContact O-N 3.13Å; L266-N270 PolarHBondContact O-ND2 3.13Å |
| 267 | A | 85.1 | Confident | 85.3 | Confident | 20 Ų | 20 | 45 Ų | 45 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.6 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F260 S264 K265 N270 A271 N272 | F260-A267 HydrophobicContact CD1-CB 4.07Å; S264-A267 WeakPolarHBondContact O-CB 3.39Å; S264-A267 PolarHBondContact O-N 3.34Å; K265-A267 PolarHBondContact O-N 2.73Å; A267-N270 PolarHBondContact O-N 3.01Å; A267-A271 PolarHBondContact O-N 3.44Å; A267-N272 PolarHBondContact O-N 3.39Å |
| 268 | I | 90.5 | Very high | 84.6 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -52.9 | 177.1 | -64.7 | 167.8 | 0 | 0 | 0 | 110.4 | R224 P226 L229 W244 F260 S264 K265 N270 A271 | R224-I268 WeakPolarHBondContact O-CG2 3.35Å; P226-I268 HydrophobicContact CG-CG2 4.33Å; L229-I268 HydrophobicContact CD1-CB 3.65Å; L229-I268 HydrophobicContact CD1-CD1 3.98Å; L229-I268 HydrophobicContact CD1-CG1 4.41Å; L229-I268 HydrophobicContact CD1-CG2 3.43Å; L229-I268 VanDerWaalsContact CD1-CG2 3.43Å; L229-I268 HydrophobicContact CG-CG2 4.41Å; W244-I268 HydrophobicContact CZ2-CG2 3.77Å; F260-I268 HydrophobicContact CB-CD1 4.39Å; F260-I268 HydrophobicContact CB-CG1 3.96Å; F260-I268 HydrophobicContact CD1-CG1 3.99Å; F260-I268 HydrophobicContact CD2-CG1 3.88Å; F260-I268 HydrophobicContact CE1-CG1 4.48Å; F260-I268 HydrophobicContact CE2-CG1 4.4Å; F260-I268 HydrophobicContact CG-CG1 3.66Å; S264-I268 PolarHBondContact O-N 3.43Å; S264-I268 VanDerWaalsContact O-N 3.15Å; K265-I268 PolarHBondContact O-N 3.22Å; I268-N270 PolarHBondContact O-N 3.48Å; I268-N270 VanDerWaalsContact O-N 3.09Å; I268-A271 PolarHBondContact O-N 3.19Å |
| 269 | L | 90.6 | Very high | 83.9 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.9 | -25.7 | -178 | -75.4 | 168.4 | 0 | 0 | 0 | 114.5 | P226 L229 D230 K265 | P226-L269 HydrophobicContact CB-CD2 4.29Å; L229-L269 HydrophobicContact CB-CD2 3.85Å; L229-L269 HydrophobicContact CB-CG 4.15Å; L229-L269 HydrophobicContact CD1-CG 4.31Å; D230-L269 HydrophobicContact CB-CD2 3.54Å; K265-L269 HydrophobicContact CB-CD1 4.44Å; K265-L269 VanDerWaalsContact O-CB 3.28Å; K265-L269 WeakPolarHBondContact O-CB 3.32Å; K265-L269 WeakPolarHBondContact O-CD1 3.49Å; K265-L269 WeakPolarHBondContact O-CG 3.34Å; K265-L269 PolarHBondContact O-N 3.42Å |
| 270 | N | 88.8 | Confident | 83.3 | Confident | 100 Ų | 100 | 52.7 Ų | 52.7 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 9.5 | 177.9 | -66 | -80.2 | 0 | 0 | 0 | 113 | L266 A267 I268 N272 | L266-N270 PolarHBondContact O-ND2 3.13Å; A267-N270 PolarHBondContact O-N 3.01Å; I268-N270 PolarHBondContact O-N 3.48Å; I268-N270 VanDerWaalsContact O-N 3.09Å; N270-N272 HydrophobicContact CB-CB 4.43Å; N270-N272 PolarHBondContact O-N 2.97Å; N270-N272 VanDerWaalsContact O-N 3.1Å |
| 271 | A | 90.5 | Very high | 82.8 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 37 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W244 A267 I268 Y273 L294 I296 | W244-A271 HydrophobicContact CH2-CB 4Å; W244-A271 HydrophobicContact CZ3-CB 4.33Å; A267-A271 PolarHBondContact O-N 3.44Å; I268-A271 PolarHBondContact O-N 3.19Å; A271-Y273 HydrophobicContact CB-CE1 4.3Å; A271-Y273 WeakPolarHBondContact O-CD1 3.38Å; A271-Y273 VanDerWaalsContact O-CE1 3.31Å; A271-Y273 WeakPolarHBondContact O-CE1 3.42Å; A271-Y273 PolarHBondContact O-N 3.05Å; A271-Y273 VanDerWaalsContact O-N 3.1Å; A271-L294 WeakPolarHBondContact CB-O 3.33Å; A271-I296 HydrophobicContact CB-CD1 4.27Å; A271-I296 HydrophobicContact CB-CG1 3.65Å |
| 272 | N | 89 | Confident | 82.9 | Confident | 111 Ų | 111 | 58.2 Ų | 58.2 | 59% | 0.594 | 34% | 0.344 | S | S | * | . | trans | -85.4 | 86.5 | -173.7 | -174.4 | -2.4 | 0 | 0 | 0 | 111 | A267 N270 | A267-N272 PolarHBondContact O-N 3.39Å; N270-N272 HydrophobicContact CB-CB 4.43Å; N270-N272 PolarHBondContact O-N 2.97Å; N270-N272 VanDerWaalsContact O-N 3.1Å | ||
| 273 | Y | 91.2 | Very high | 83.6 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 17% | 0.173 | 32% | 0.316 | C | S | . | . | trans | -128.7 | 164.7 | 170.9 | 62.6 | -87.6 | 0 | 0 | 0 | 110.3 | F251 P259 F260 A271 I275 I290 R291 L294 | F251-Y273 HydrophobicContact CD2-CD2 4Å; F251-Y273 HydrophobicContact CD2-CE2 4.46Å; F251-Y273 AromaticContact CE2-CD2 3.78Å; F251-Y273 HydrophobicContact CE2-CD2 3.78Å; P259-Y273 HydrophobicContact CB-CG 4.15Å; F260-Y273 HydrophobicContact CE1-CD1 4.15Å; F260-Y273 AromaticContact CZ-CD1 3.82Å; F260-Y273 HydrophobicContact CZ-CD1 3.82Å; F260-Y273 HydrophobicContact CZ-CG 4.48Å; A271-Y273 HydrophobicContact CB-CE1 4.3Å; A271-Y273 WeakPolarHBondContact O-CD1 3.38Å; A271-Y273 VanDerWaalsContact O-CE1 3.31Å; A271-Y273 WeakPolarHBondContact O-CE1 3.42Å; A271-Y273 PolarHBondContact O-N 3.05Å; A271-Y273 VanDerWaalsContact O-N 3.1Å; Y273-I275 HydrophobicContact CD2-CG1 4.17Å; Y273-I275 HydrophobicContact CE2-CD1 4.06Å; Y273-I275 HydrophobicContact CE2-CG1 3.9Å; Y273-I290 HydrophobicContact CE2-CG2 3.91Å; Y273-R291 WeakPolarHBondContact OH-CA 3.47Å; Y273-L294 HydrophobicContact CD1-CB 4.42Å; Y273-L294 HydrophobicContact CD1-CD1 3.9Å; Y273-L294 HydrophobicContact CD2-CD1 4.39Å; Y273-L294 HydrophobicContact CE1-CB 3.53Å; Y273-L294 HydrophobicContact CE1-CD1 3.63Å; Y273-L294 HydrophobicContact CE1-CG 4.23Å; Y273-L294 HydrophobicContact CE2-CD1 4.13Å; Y273-L294 HydrophobicContact CG-CD1 4.3Å | ||
| 274 | S | 86.7 | Confident | 84.3 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | trans | -128.1 | 125.8 | 177.9 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | F251 Y257 S794 | F251-S274 WeakPolarHBondContact CE2-O 3.4Å; F251-S274 VanDerWaalsContact CZ-O 3.24Å; F251-S274 WeakPolarHBondContact CZ-O 3.35Å; Y257-S274 PolarHBondContact OH-O 2.82Å; S274-S794 VanDerWaalsContact CB-OG 3.31Å; S274-S794 WeakPolarHBondContact CB-OG 3.4Å | ||
| 275 | I | 85.9 | Confident | 84.9 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | trans | -90 | 116.5 | 175.7 | -64.2 | 176.4 | 0 | 0 | 0 | 107.9 | F251 Y273 A277 I279 C287 I290 R291 Q793 | F251-I275 HydrophobicContact CD2-CG1 4.22Å; F251-I275 HydrophobicContact CE2-CG1 3.89Å; Y273-I275 HydrophobicContact CD2-CG1 4.17Å; Y273-I275 HydrophobicContact CE2-CD1 4.06Å; Y273-I275 HydrophobicContact CE2-CG1 3.9Å; I275-A277 PolarHBondContact O-N 3.5Å; I275-I279 HydrophobicContact CG2-CD1 3.61Å; I275-C287 HydrophobicContact CD1-CB 4.17Å; I275-C287 HydrophobicContact CG2-CB 4.09Å; I275-C287 VanDerWaalsContact CG2-SG 3.55Å; I275-I290 HydrophobicContact CD1-CB 4.33Å; I275-I290 HydrophobicContact CD1-CG2 3.86Å; I275-I290 HydrophobicContact CG1-CG2 4.41Å; I275-R291 HydrophobicContact CD1-CG 4.16Å; I275-Q793 CarbonylContact C-O 3.59Å; I275-Q793 VanDerWaalsContact C-O 3.22Å | ||
| 276 | P | 82 | Confident | 85.4 | Confident | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.071 | 31% | 0.314 | C | S | . | . | trans | -46.9 | 121.6 | -176.5 | -31.5 | 36.1 | 0 | 0 | 0 | 114.5 | C255 Y257 S278 I279 Q793 | C255-P276 HydrophobicContact CB-CG 4.48Å; Y257-P276 HydrophobicContact CE1-CG 3.85Å; Y257-P276 WeakPolarHBondContact OH-CD 3.5Å; Y257-P276 VanDerWaalsContact OH-CG 3.29Å; Y257-P276 WeakPolarHBondContact OH-CG 3.47Å; P276-S278 PolarHBondContact O-N 3.19Å; P276-I279 HydrophobicContact CB-CD1 4.08Å; P276-I279 HydrophobicContact CB-CG1 4.12Å; P276-I279 HydrophobicContact CG-CD1 4.21Å; P276-I279 VanDerWaalsContact O-CB 3.3Å; P276-I279 WeakPolarHBondContact O-CB 3.34Å; P276-I279 PolarHBondContact O-N 2.61Å; P276-Q793 CarbonylContact C-O 3.56Å; P276-Q793 WeakPolarHBondContact CA-O 3.4Å | ||
| 277 | A | 76.2 | Confident | 86.1 | Confident | 64 Ų | 64 | 46 Ų | 46 | 53% | 0.529 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -15.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I275 I279 Q793 | I275-A277 PolarHBondContact O-N 3.5Å; A277-I279 VanDerWaalsContact C-N 3.31Å; A277-Q793 PolarHBondContact N-O 3.08Å |
| 278 | S | 72.7 | Confident | 86.5 | Confident | 110 Ų | 110 | 48 Ų | 48 | 77% | 0.769 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 4.1 | 172.7 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | P276 | P276-S278 PolarHBondContact O-N 3.19Š|
| 279 | I | 78.2 | Confident | 86.8 | Confident | 39 Ų | 39 | 48.1 Ų | 48.1 | 20% | 0.2 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -67.9 | 137.5 | 174.6 | -84.5 | 163 | 0 | 0 | 0 | 110.5 | T254 I275 P276 A277 N283 | T254-I279 HydrophobicContact CG2-CD1 4.08Å; I275-I279 HydrophobicContact CG2-CD1 3.61Å; P276-I279 HydrophobicContact CB-CD1 4.08Å; P276-I279 HydrophobicContact CB-CG1 4.12Å; P276-I279 HydrophobicContact CG-CD1 4.21Å; P276-I279 VanDerWaalsContact O-CB 3.3Å; P276-I279 WeakPolarHBondContact O-CB 3.34Å; P276-I279 PolarHBondContact O-N 2.61Å; A277-I279 VanDerWaalsContact C-N 3.31Å; I279-N283 HydrophobicContact CG2-CB 3.56Å |
| 280 | S | 79 | Confident | 87.2 | Confident | 52 Ų | 52 | 46.6 Ų | 46.6 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | trans | -61.6 | 148.2 | 176.9 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | E282 N283 A284 | S280-E282 PolarHBondContact O-N 3.44Å; S280-E282 VanDerWaalsContact O-N 3.16Å; S280-N283 PolarHBondContact O-N 2.84Å; S280-A284 PolarHBondContact O-N 2.96Å | ||
| 281 | S | 82 | Confident | 87.5 | Confident | 113 Ų | 113 | 48.5 Ų | 48.5 | 79% | 0.79 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -55.8 | -29.6 | 171.7 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | N283 A284 | S281-N283 VanDerWaalsContact C-N 3.28Å; S281-N283 PolarHBondContact O-N 3.26Å; S281-A284 VanDerWaalsContact O-CB 3.25Å; S281-A284 WeakPolarHBondContact O-CB 3.3Å; S281-A284 PolarHBondContact O-N 3.14Å |
| 282 | E | 84.6 | Confident | 87.8 | Confident | 93 Ų | 93 | 50 Ų | 50 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -57.8 | -36.1 | 172 | -161.8 | -165.6 | 169.9 | 0 | 0 | 112.8 | S142 S280 P285 R318 | S142-E282 WeakPolarHBondContact CB-OE1 3.21Å; S142-E282 PolarHBondContact OG-O 2.73Å; S280-E282 PolarHBondContact O-N 3.44Å; S280-E282 VanDerWaalsContact O-N 3.16Å; E282-P285 WeakPolarHBondContact O-CD 3.31Å; E282-R318 PolarHBondContact O-NH2 2.62Å; E282-R318 IonicContact OE1-NH1 3.33Å |
| 283 | N | 88.6 | Confident | 88.3 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -90.4 | -2.7 | -179.9 | -83.9 | -9 | 0 | 0 | 0 | 113.6 | S142 T254 I279 S280 S281 P285 F286 C287 | S142-N283 WeakPolarHBondContact CA-OD1 3.2Å; S142-N283 WeakPolarHBondContact CB-OD1 3.28Å; S142-N283 PolarHBondContact OG-OD1 3.15Å; T254-N283 HydrophobicContact CG2-CB 4.07Å; I279-N283 HydrophobicContact CG2-CB 3.56Å; S280-N283 PolarHBondContact O-N 2.84Å; S281-N283 VanDerWaalsContact C-N 3.28Å; S281-N283 PolarHBondContact O-N 3.26Å; N283-P285 VanDerWaalsContact C-CD 3.41Å; N283-P285 VanDerWaalsContact C-N 3.35Å; N283-F286 HydrophobicContact CB-CD2 4.29Å; N283-F286 WeakPolarHBondContact O-CB 3.46Å; N283-F286 PolarHBondContact O-N 3.01Å; N283-F286 VanDerWaalsContact O-N 3.09Å; N283-F286 WeakPolarHBondContact OD1-CE2 3.42Å; N283-C287 PolarHBondContact O-N 3.24Å; N283-C287 PolarHBondContact O-SG 3.28Å |
| 284 | A | 87.2 | Confident | 88.6 | Confident | 50 Ų | 50 | 42.7 Ų | 42.7 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.9 | -34.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S280 S281 F286 C287 S288 | S280-A284 PolarHBondContact O-N 2.96Å; S281-A284 VanDerWaalsContact O-CB 3.25Å; S281-A284 WeakPolarHBondContact O-CB 3.3Å; S281-A284 PolarHBondContact O-N 3.14Å; A284-F286 PolarHBondContact O-N 3.33Å; A284-C287 WeakPolarHBondContact O-CB 3.48Å; A284-C287 PolarHBondContact O-N 3.41Å; A284-C287 VanDerWaalsContact O-N 3.15Å; A284-S288 PolarHBondContact O-N 2.81Å |
| 285 | P | 91.8 | Very high | 89 | Confident | 49 Ų | 49 | 44.7 Ų | 44.7 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 173.4 | -26.7 | 37.7 | 0 | 0 | 0 | 113 | E282 N283 C287 S288 L289 L314 | E282-P285 WeakPolarHBondContact O-CD 3.31Å; N283-P285 VanDerWaalsContact C-CD 3.41Å; N283-P285 VanDerWaalsContact C-N 3.35Å; P285-C287 VanDerWaalsContact C-N 3.29Å; P285-C287 PolarHBondContact O-N 2.93Å; P285-S288 WeakPolarHBondContact O-CA 3.5Å; P285-S288 VanDerWaalsContact O-CB 3.27Å; P285-S288 WeakPolarHBondContact O-CB 3.32Å; P285-S288 PolarHBondContact O-N 2.96Å; P285-L289 PolarHBondContact O-N 2.54Å; P285-L314 HydrophobicContact CB-CD1 3.89Å; P285-L314 HydrophobicContact CB-CD2 3.8Å; P285-L314 HydrophobicContact CG-CD1 3.93Å |
| 286 | F | 94.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 174.2 | -53.2 | -44 | 0 | 0 | 0 | 111.3 | S142 I145 L146 L250 T254 N283 A284 S288 L289 I290 L314 | S142-F286 WeakPolarHBondContact O-CE2 3.29Å; S142-F286 WeakPolarHBondContact O-CZ 3.21Å; S142-F286 WeakPolarHBondContact OG-CE2 3.24Å; I145-F286 HydrophobicContact CB-CD2 4.38Å; I145-F286 HydrophobicContact CB-CE2 3.76Å; I145-F286 HydrophobicContact CB-CZ 4.1Å; I145-F286 HydrophobicContact CD1-CD2 4.33Å; I145-F286 HydrophobicContact CD1-CE2 4.17Å; I145-F286 HydrophobicContact CG2-CD2 3.89Å; I145-F286 HydrophobicContact CG2-CE1 4.39Å; I145-F286 HydrophobicContact CG2-CE2 3.69Å; I145-F286 HydrophobicContact CG2-CG 4.33Å; I145-F286 HydrophobicContact CG2-CZ 3.99Å; L146-F286 HydrophobicContact CB-CE1 4.34Å; L146-F286 HydrophobicContact CB-CZ 3.99Å; L146-F286 HydrophobicContact CD1-CE1 4.31Å; L250-F286 HydrophobicContact CD1-CB 4.13Å; L250-F286 HydrophobicContact CD1-CD1 4.06Å; L250-F286 HydrophobicContact CD1-CG 4.12Å; L250-F286 HydrophobicContact CD2-CB 4.29Å; L250-F286 HydrophobicContact CG-CB 4.3Å; T254-F286 HydrophobicContact CG2-CB 4.37Å; N283-F286 HydrophobicContact CB-CD2 4.29Å; N283-F286 WeakPolarHBondContact O-CB 3.46Å; N283-F286 PolarHBondContact O-N 3.01Å; N283-F286 VanDerWaalsContact O-N 3.09Å; N283-F286 WeakPolarHBondContact OD1-CE2 3.42Å; A284-F286 PolarHBondContact O-N 3.33Å; F286-S288 PolarHBondContact O-N 2.9Å; F286-L289 PolarHBondContact O-N 3.13Å; F286-I290 WeakPolarHBondContact O-CB 3.25Å; F286-I290 WeakPolarHBondContact O-CD1 3.34Å; F286-I290 WeakPolarHBondContact O-CG1 3.02Å; F286-I290 PolarHBondContact O-N 3.24Å; F286-L314 HydrophobicContact CD1-CD2 4.13Å; F286-L314 HydrophobicContact CE1-CD2 3.57Å; F286-L314 HydrophobicContact CZ-CD2 4.24Å |
| 287 | C | 93.6 | Very high | 90.1 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -25.7 | 173.6 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | I275 N283 A284 P285 R291 | I275-C287 HydrophobicContact CD1-CB 4.17Å; I275-C287 HydrophobicContact CG2-CB 4.09Å; I275-C287 VanDerWaalsContact CG2-SG 3.55Å; N283-C287 PolarHBondContact O-N 3.24Å; N283-C287 PolarHBondContact O-SG 3.28Å; A284-C287 WeakPolarHBondContact O-CB 3.48Å; A284-C287 PolarHBondContact O-N 3.41Å; A284-C287 VanDerWaalsContact O-N 3.15Å; P285-C287 VanDerWaalsContact C-N 3.29Å; P285-C287 PolarHBondContact O-N 2.93Å; C287-R291 VanDerWaalsContact C-NH1 3.34Å; C287-R291 WeakPolarHBondContact O-CG 2.98Å; C287-R291 PolarHBondContact O-NH1 3.41Å |
| 288 | S | 93.2 | Very high | 91.1 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 43% | 0.434 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70 | -56.3 | 168.9 | -165.1 | 0 | 0 | 0 | 0 | 110.2 | A284 P285 F286 I290 R291 Q292 | A284-S288 PolarHBondContact O-N 2.81Å; P285-S288 WeakPolarHBondContact O-CA 3.5Å; P285-S288 VanDerWaalsContact O-CB 3.27Å; P285-S288 WeakPolarHBondContact O-CB 3.32Å; P285-S288 PolarHBondContact O-N 2.96Å; F286-S288 PolarHBondContact O-N 2.9Å; S288-I290 PolarHBondContact O-N 3.07Å; S288-R291 WeakPolarHBondContact O-CB 3.48Å; S288-R291 PolarHBondContact O-N 3.01Å; S288-Q292 PolarHBondContact O-N 3.02Å |
| 289 | L | 96.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -40.9 | -177.2 | -178 | 54.7 | 0 | 0 | 0 | 112.9 | F149 L250 P285 F286 R291 Q292 L293 I307 L311 | F149-L289 HydrophobicContact CE1-CD2 4.08Å; L250-L289 HydrophobicContact CD2-CB 4.07Å; L250-L289 HydrophobicContact CD2-CD2 3.83Å; L250-L289 HydrophobicContact CD2-CG 3.85Å; P285-L289 PolarHBondContact O-N 2.54Å; F286-L289 PolarHBondContact O-N 3.13Å; L289-R291 PolarHBondContact O-N 2.81Å; L289-Q292 WeakPolarHBondContact O-CB 3.31Å; L289-Q292 PolarHBondContact O-N 2.93Å; L289-L293 HydrophobicContact CD1-CD1 4.24Å; L289-L293 HydrophobicContact CD1-CD2 4.42Å; L289-L293 HydrophobicContact CD1-CG 4.09Å; L289-L293 HydrophobicContact CG-CD1 3.9Å; L289-L293 HydrophobicContact CG-CG 4.26Å; L289-L293 VanDerWaalsContact O-CG 3.27Å; L289-L293 WeakPolarHBondContact O-CG 3.43Å; L289-L293 PolarHBondContact O-N 3.08Å; L289-I307 HydrophobicContact CD1-CG1 4.34Å; L289-I307 HydrophobicContact CD1-CG2 4.46Å; L289-I307 HydrophobicContact CD2-CG2 4.4Å; L289-L311 HydrophobicContact CD2-CD2 3.84Å; L289-L311 HydrophobicContact CD2-CG 4.2Å |
| 290 | I | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.1 | -41.9 | 171.8 | -73.7 | 163.9 | 0 | 0 | 0 | 111.6 | L250 F251 Y273 I275 F286 S288 Q292 L293 L294 | L250-I290 HydrophobicContact CB-CG1 4.09Å; L250-I290 HydrophobicContact CD2-CG1 3.83Å; L250-I290 HydrophobicContact CG-CD1 4.14Å; L250-I290 HydrophobicContact CG-CG1 3.73Å; F251-I290 HydrophobicContact CB-CD1 4.19Å; F251-I290 HydrophobicContact CB-CG1 4.44Å; F251-I290 HydrophobicContact CB-CG2 4.39Å; F251-I290 HydrophobicContact CD2-CG2 4.04Å; Y273-I290 HydrophobicContact CE2-CG2 3.91Å; I275-I290 HydrophobicContact CD1-CB 4.33Å; I275-I290 HydrophobicContact CD1-CG2 3.86Å; I275-I290 HydrophobicContact CG1-CG2 4.41Å; F286-I290 WeakPolarHBondContact O-CB 3.25Å; F286-I290 WeakPolarHBondContact O-CD1 3.34Å; F286-I290 WeakPolarHBondContact O-CG1 3.02Å; F286-I290 PolarHBondContact O-N 3.24Å; S288-I290 PolarHBondContact O-N 3.07Å; I290-Q292 VanDerWaalsContact C-N 3.32Å; I290-Q292 PolarHBondContact O-N 2.97Å; I290-L293 PolarHBondContact O-N 3.04Å; I290-L294 HydrophobicContact CG2-CD1 3.97Å; I290-L294 WeakPolarHBondContact O-CB 3.32Å; I290-L294 PolarHBondContact O-N 3.15Å |
| 291 | R | 96.5 | Very high | 93.9 | Very high | 140 Ų | 140 | 45.9 Ų | 45.9 | 53% | 0.528 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70 | -28.3 | -179.8 | -68.3 | 175.8 | -176.1 | 108.5 | -13.7 | 112.7 | Y273 I275 C287 S288 L289 L295 | Y273-R291 WeakPolarHBondContact OH-CA 3.47Å; I275-R291 HydrophobicContact CD1-CG 4.16Å; C287-R291 VanDerWaalsContact C-NH1 3.34Å; C287-R291 WeakPolarHBondContact O-CG 2.98Å; C287-R291 PolarHBondContact O-NH1 3.41Å; S288-R291 WeakPolarHBondContact O-CB 3.48Å; S288-R291 PolarHBondContact O-N 3.01Å; L289-R291 PolarHBondContact O-N 2.81Å; R291-L295 WeakPolarHBondContact O-CD2 3.39Å; R291-L295 WeakPolarHBondContact O-CG 3.31Å |
| 292 | Q | 97 | Very high | 94.6 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -75.4 | -44.1 | 173 | -53.5 | -170.5 | 51.4 | 0 | 0 | 111.8 | S288 L289 I290 L294 L295 P302 E310 | S288-Q292 PolarHBondContact O-N 3.02Å; L289-Q292 WeakPolarHBondContact O-CB 3.31Å; L289-Q292 PolarHBondContact O-N 2.93Å; I290-Q292 VanDerWaalsContact C-N 3.32Å; I290-Q292 PolarHBondContact O-N 2.97Å; Q292-L294 PolarHBondContact O-N 3.11Å; Q292-L295 WeakPolarHBondContact O-CG 3.4Å; Q292-P302 HydrophobicContact CB-CG 3.93Å; Q292-E310 PolarHBondContact NE2-OE1 2.86Å; Q292-E310 PolarHBondContact NE2-OE2 3.13Å |
| 293 | L | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.7 | -36.4 | -178.9 | -64.8 | 170 | 0 | 0 | 0 | 112.4 | F149 I243 G247 L250 L289 I290 R301 I307 | F149-L293 HydrophobicContact CE1-CD1 4.32Å; F149-L293 HydrophobicContact CZ-CD1 3.87Å; I243-L293 HydrophobicContact CG2-CD2 3.43Å; I243-L293 VanDerWaalsContact CG2-CD2 3.43Å; G247-L293 VanDerWaalsContact CA-CB 3.46Å; L250-L293 HydrophobicContact CB-CD1 4.43Å; L250-L293 HydrophobicContact CD2-CD1 4Å; L289-L293 HydrophobicContact CD1-CD1 4.24Å; L289-L293 HydrophobicContact CD1-CD2 4.42Å; L289-L293 HydrophobicContact CD1-CG 4.09Å; L289-L293 HydrophobicContact CG-CD1 3.9Å; L289-L293 HydrophobicContact CG-CG 4.26Å; L289-L293 VanDerWaalsContact O-CG 3.27Å; L289-L293 WeakPolarHBondContact O-CG 3.43Å; L289-L293 PolarHBondContact O-N 3.08Å; I290-L293 PolarHBondContact O-N 3.04Å; L293-R301 WeakPolarHBondContact O-CD 3.16Å; L293-I307 HydrophobicContact CD2-CD1 3.39Å; L293-I307 HydrophobicContact CD2-CG1 3.92Å |
| 294 | L | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 33.4 | -177.5 | -61.6 | 179 | 0 | 0 | 0 | 113.6 | W244 P259 F260 A271 Y273 I290 Q292 | W244-L294 HydrophobicContact CD2-CD2 3.69Å; W244-L294 HydrophobicContact CE3-CB 4.37Å; W244-L294 HydrophobicContact CE3-CD2 3.92Å; W244-L294 HydrophobicContact CG-CD2 4.11Å; W244-L294 HydrophobicContact CH2-CD2 4.43Å; W244-L294 HydrophobicContact CZ2-CD2 4.2Å; W244-L294 VanDerWaalsContact CZ3-C 3.49Å; W244-L294 HydrophobicContact CZ3-CB 4.18Å; W244-L294 HydrophobicContact CZ3-CD2 4.3Å; W244-L294 WeakPolarHBondContact CZ3-O 3.36Å; W244-L294 WeakPolarHBondContact O-CD2 3.16Å; P259-L294 HydrophobicContact CG-CD1 4.41Å; F260-L294 HydrophobicContact CE2-CD2 4.49Å; A271-L294 WeakPolarHBondContact CB-O 3.33Å; Y273-L294 HydrophobicContact CD1-CB 4.42Å; Y273-L294 HydrophobicContact CD1-CD1 3.9Å; Y273-L294 HydrophobicContact CD2-CD1 4.39Å; Y273-L294 HydrophobicContact CE1-CB 3.53Å; Y273-L294 HydrophobicContact CE1-CD1 3.63Å; Y273-L294 HydrophobicContact CE1-CG 4.23Å; Y273-L294 HydrophobicContact CE2-CD1 4.13Å; Y273-L294 HydrophobicContact CG-CD1 4.3Å; I290-L294 HydrophobicContact CG2-CD1 3.97Å; I290-L294 WeakPolarHBondContact O-CB 3.32Å; I290-L294 PolarHBondContact O-N 3.15Å; Q292-L294 PolarHBondContact O-N 3.11Å |
| 295 | L | 96 | Very high | 96.3 | Very high | 62 Ų | 62 | 41.8 Ų | 41.8 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | trans | -75.3 | 141.3 | 169.3 | -68.7 | 174.6 | 0 | 0 | 0 | 111.4 | R291 Q292 Q300 R301 | R291-L295 WeakPolarHBondContact O-CD2 3.39Å; R291-L295 WeakPolarHBondContact O-CG 3.31Å; Q292-L295 WeakPolarHBondContact O-CG 3.4Å; L295-Q300 HydrophobicContact CD1-CB 3.93Å; L295-Q300 WeakPolarHBondContact CD1-O 3.4Å; L295-R301 HydrophobicContact CB-CG 4.16Å; L295-R301 PolarHBondContact O-NE 3.36Å; L295-R301 PolarHBondContact O-NH2 3.06Å; L295-R301 VanDerWaalsContact O-NH2 3.12Å | ||
| 296 | I | 94.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 28% | 0.282 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -63.1 | -49.5 | -177.1 | -59.2 | 171.7 | 0 | 0 | 0 | 110.8 | P226 A271 P298 R301 | P226-I296 HydrophobicContact CB-CG2 4.04Å; P226-I296 HydrophobicContact CG-CG2 4.26Å; A271-I296 HydrophobicContact CB-CD1 4.27Å; A271-I296 HydrophobicContact CB-CG1 3.65Å; I296-P298 WeakPolarHBondContact O-CD 3.34Å; I296-R301 PolarHBondContact O-NH2 3.13Å |
| 297 | N | 94.7 | Very high | 96.7 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -74.7 | 115.9 | 178.9 | -178.6 | -13.7 | 0 | 0 | 0 | 110.3 | Y235 S299 Q300 | Y235-N297 HydrophobicContact CE1-CB 4.01Å; Y235-N297 VanDerWaalsContact CE1-CG 3.43Å; Y235-N297 WeakPolarHBondContact CE1-OD1 3.44Å; N297-S299 PolarHBondContact O-N 3.18Å; N297-S299 WeakPolarHBondContact OD1-CB 3.37Å; N297-S299 PolarHBondContact OD1-N 2.75Å; N297-S299 PolarHBondContact OD1-OG 2.74Å; N297-Q300 HydrophobicContact CB-CB 4.4Å; N297-Q300 HydrophobicContact CB-CG 4.13Å; N297-Q300 PolarHBondContact O-N 3.03Å; N297-Q300 VanDerWaalsContact O-N 3.1Å |
| 298 | P | 97.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -61.6 | -28.7 | -179.3 | 22.5 | -31.5 | 0 | 0 | 0 | 113.4 | E227 Y235 P240 I296 Q300 R301 | E227-P298 HydrophobicContact CB-CG 4.48Å; E227-P298 HydrophobicContact CG-CG 4.39Å; Y235-P298 HydrophobicContact CD1-CG 4.21Å; Y235-P298 HydrophobicContact CG-CG 4.05Å; P240-P298 HydrophobicContact CB-CB 3.52Å; P240-P298 HydrophobicContact CG-CB 4.18Å; I296-P298 WeakPolarHBondContact O-CD 3.34Å; P298-Q300 PolarHBondContact O-N 2.93Å; P298-R301 PolarHBondContact O-N 2.96Å |
| 299 | S | 95.1 | Very high | 97.1 | Very high | 90 Ų | 90 | 43.2 Ų | 43.2 | 63% | 0.629 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -72.5 | -6.1 | 178.5 | -48.3 | 0 | 0 | 0 | 0 | 113.9 | N297 | N297-S299 PolarHBondContact O-N 3.18Å; N297-S299 WeakPolarHBondContact OD1-CB 3.37Å; N297-S299 PolarHBondContact OD1-N 2.75Å; N297-S299 PolarHBondContact OD1-OG 2.74Å |
| 300 | Q | 96.4 | Very high | 97.1 | Very high | 125 Ų | 125 | 46.6 Ų | 46.6 | 58% | 0.584 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -106 | -7.3 | 175.9 | -65.7 | -179.5 | -36 | 0 | 0 | 112.9 | L295 N297 P298 | L295-Q300 HydrophobicContact CD1-CB 3.93Å; L295-Q300 WeakPolarHBondContact CD1-O 3.4Å; N297-Q300 HydrophobicContact CB-CB 4.4Å; N297-Q300 HydrophobicContact CB-CG 4.13Å; N297-Q300 PolarHBondContact O-N 3.03Å; N297-Q300 VanDerWaalsContact O-N 3.1Å; P298-Q300 PolarHBondContact O-N 2.93Å |
| 301 | R | 97.9 | Very high | 97 | Very high | 17 Ų | 17 | 46.6 Ų | 46.6 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -76.3 | 139.4 | 174.8 | -59.5 | 176.6 | -162.2 | 139.5 | 15.7 | 109.2 | E227 P240 I243 L293 L295 I296 P298 | E227-R301 IonicContact OE1-CZ 3.8Å; E227-R301 IonicContact OE1-NH1 3.66Å; E227-R301 PolarHBondContact OE1-NH1 2.78Å; E227-R301 IonicContact OE1-NH2 3.65Å; E227-R301 IonicContact OE2-CZ 2.85Å; E227-R301 IonicContact OE2-NH1 2.74Å; E227-R301 PolarHBondContact OE2-NH1 2.81Å; E227-R301 IonicContact OE2-NH2 3.5Å; E227-R301 PolarHBondContact OE2-NH2 2.67Å; P240-R301 PolarHBondContact O-NH1 3.26Å; I243-R301 HydrophobicContact CG2-CB 4.08Å; L293-R301 WeakPolarHBondContact O-CD 3.16Å; L295-R301 HydrophobicContact CB-CG 4.16Å; L295-R301 PolarHBondContact O-NE 3.36Å; L295-R301 PolarHBondContact O-NH2 3.06Å; L295-R301 VanDerWaalsContact O-NH2 3.12Å; I296-R301 PolarHBondContact O-NH2 3.13Å; P298-R301 PolarHBondContact O-N 2.96Å |
| 302 | P | 97.8 | Very high | 97 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 145.8 | 174.5 | 27.5 | -34.7 | 0 | 0 | 0 | 110.5 | I243 Q292 E306 I307 | I243-P302 WeakPolarHBondContact CG2-O 3.29Å; Q292-P302 HydrophobicContact CB-CG 3.93Å; P302-E306 WeakPolarHBondContact CA-OE2 3.49Å; P302-E306 HydrophobicContact CB-CB 4Å; P302-I307 HydrophobicContact CB-CG1 4.04Å; P302-I307 HydrophobicContact CG-CD1 4.18Å; P302-I307 HydrophobicContact CG-CG1 3.8Å; P302-I307 WeakPolarHBondContact O-CD1 3.49Å |
| 303 | N | 97.7 | Very high | 96.8 | Very high | 68 Ų | 68 | 46.3 Ų | 46.3 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 163.3 | 174.7 | 85 | 83.7 | 0 | 0 | 0 | 111.2 | N305 E306 I307 | N303-N305 PolarHBondContact O-N 2.95Å; N303-N305 WeakPolarHBondContact OD1-CB 3.33Å; N303-N305 PolarHBondContact OD1-N 2.91Å; N303-N305 PolarHBondContact OD1-ND2 3Å; N303-E306 PolarHBondContact N-OE2 3.38Å; N303-E306 WeakPolarHBondContact ND2-CG 3.4Å; N303-E306 PolarHBondContact ND2-OE2 3.01Å; N303-E306 WeakPolarHBondContact O-CB 3.34Å; N303-E306 PolarHBondContact O-N 2.8Å; N303-I307 PolarHBondContact O-N 3.4Å; N303-I307 VanDerWaalsContact O-N 3.11Å |
| 304 | I | 98.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.8 | -24.4 | -172.4 | -163.2 | 58.8 | 0 | 0 | 0 | 114.5 | C153 V156 Q157 H160 I243 L246 I307 L308 | C153-I304 HydrophobicContact CB-CD1 3.87Å; V156-I304 HydrophobicContact CB-CD1 4.04Å; V156-I304 HydrophobicContact CB-CG1 4.21Å; V156-I304 HydrophobicContact CG1-CD1 4.03Å; V156-I304 HydrophobicContact CG1-CG1 4.11Å; Q157-I304 HydrophobicContact CB-CG1 3.97Å; Q157-I304 HydrophobicContact CB-CG2 4.19Å; Q157-I304 HydrophobicContact CG-CG2 4.28Å; H160-I304 HydrophobicContact CB-CG2 4.05Å; I243-I304 HydrophobicContact CD1-CB 4.11Å; I243-I304 HydrophobicContact CD1-CD1 4.11Å; L246-I304 HydrophobicContact CD1-CD1 3.59Å; I304-I307 HydrophobicContact CD1-CD1 4.45Å; I304-L308 WeakPolarHBondContact O-CB 3.32Å; I304-L308 WeakPolarHBondContact O-CG 3.23Å; I304-L308 PolarHBondContact O-N 3.5Å; I304-L308 VanDerWaalsContact O-N 3.12Å |
| 305 | N | 98.1 | Very high | 96.5 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -79.1 | -35 | 176.6 | -52.3 | -72.7 | 0 | 0 | 0 | 112.4 | Q157 N303 L308 G309 | Q157-N305 PolarHBondContact NE2-OD1 2.91Å; N303-N305 PolarHBondContact O-N 2.95Å; N303-N305 WeakPolarHBondContact OD1-CB 3.33Å; N303-N305 PolarHBondContact OD1-N 2.91Å; N303-N305 PolarHBondContact OD1-ND2 3Å; N305-L308 PolarHBondContact O-N 3.11Å; N305-G309 PolarHBondContact O-N 2.84Å |
| 306 | E | 98.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 49 Ų | 49 | 51% | 0.505 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 174.4 | -70.7 | 162.1 | 152.9 | 0 | 0 | 110.3 | P302 N303 L308 G309 E310 | P302-E306 WeakPolarHBondContact CA-OE2 3.49Å; P302-E306 HydrophobicContact CB-CB 4Å; N303-E306 PolarHBondContact N-OE2 3.38Å; N303-E306 WeakPolarHBondContact ND2-CG 3.4Å; N303-E306 PolarHBondContact ND2-OE2 3.01Å; N303-E306 WeakPolarHBondContact O-CB 3.34Å; N303-E306 PolarHBondContact O-N 2.8Å; E306-L308 PolarHBondContact O-N 2.94Å; E306-G309 WeakPolarHBondContact O-CA 3.35Å; E306-G309 PolarHBondContact O-N 3.14Å; E306-E310 PolarHBondContact O-N 2.94Å |
| 307 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 174.4 | -64.2 | 158.8 | 0 | 0 | 0 | 110.9 | F149 I243 L289 L293 P302 N303 I304 G309 E310 L311 | F149-I307 HydrophobicContact CE1-CG2 4.23Å; I243-I307 HydrophobicContact CD1-CD1 3.91Å; I243-I307 HydrophobicContact CG2-CD1 3.74Å; L289-I307 HydrophobicContact CD1-CG1 4.34Å; L289-I307 HydrophobicContact CD1-CG2 4.46Å; L289-I307 HydrophobicContact CD2-CG2 4.4Å; L293-I307 HydrophobicContact CD2-CD1 3.39Å; L293-I307 HydrophobicContact CD2-CG1 3.92Å; P302-I307 HydrophobicContact CB-CG1 4.04Å; P302-I307 HydrophobicContact CG-CD1 4.18Å; P302-I307 HydrophobicContact CG-CG1 3.8Å; P302-I307 WeakPolarHBondContact O-CD1 3.49Å; N303-I307 PolarHBondContact O-N 3.4Å; N303-I307 VanDerWaalsContact O-N 3.11Å; I304-I307 HydrophobicContact CD1-CD1 4.45Å; I307-G309 VanDerWaalsContact C-N 3.27Å; I307-G309 PolarHBondContact O-N 2.79Å; I307-E310 PolarHBondContact O-N 2.91Å; I307-L311 HydrophobicContact CG2-CD1 3.9Å; I307-L311 WeakPolarHBondContact O-CB 3.27Å; I307-L311 WeakPolarHBondContact O-CG 3.47Å; I307-L311 PolarHBondContact O-N 2.94Å |
| 308 | L | 97.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -26.8 | 175.3 | -76.5 | 169.9 | 0 | 0 | 0 | 112.9 | H150 C153 R154 Q157 I304 N305 E306 S312 | H150-L308 VanDerWaalsContact CD2-CD2 3.46Å; H150-L308 WeakPolarHBondContact CD2-CD2 3.46Å; C153-L308 HydrophobicContact CB-CD2 3.6Å; C153-L308 HydrophobicContact CB-CG 3.98Å; R154-L308 HydrophobicContact CG-CD1 4.4Å; R154-L308 HydrophobicContact CG-CD2 3.92Å; Q157-L308 HydrophobicContact CB-CD1 3.68Å; Q157-L308 HydrophobicContact CG-CD1 3.95Å; Q157-L308 VanDerWaalsContact OE1-CD1 3.28Å; I304-L308 WeakPolarHBondContact O-CB 3.32Å; I304-L308 WeakPolarHBondContact O-CG 3.23Å; I304-L308 PolarHBondContact O-N 3.5Å; I304-L308 VanDerWaalsContact O-N 3.12Å; N305-L308 PolarHBondContact O-N 3.11Å; E306-L308 PolarHBondContact O-N 2.94Å; L308-S312 VanDerWaalsContact O-CB 3.26Å; L308-S312 WeakPolarHBondContact O-CB 3.31Å; L308-S312 PolarHBondContact O-N 3.41Å; L308-S312 PolarHBondContact O-OG 3.2Å |
| 309 | G | 96.7 | Very high | 95.8 | Very high | 32 Ų | 32 | 64 Ų | 64 | 33% | 0.33 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.4 | -59.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N305 E306 I307 L311 S312 E313 | N305-G309 PolarHBondContact O-N 2.84Å; E306-G309 WeakPolarHBondContact O-CA 3.35Å; E306-G309 PolarHBondContact O-N 3.14Å; I307-G309 VanDerWaalsContact C-N 3.27Å; I307-G309 PolarHBondContact O-N 2.79Å; G309-L311 VanDerWaalsContact C-N 3.28Å; G309-L311 PolarHBondContact O-N 2.83Å; G309-S312 WeakPolarHBondContact O-CB 3.44Å; G309-S312 PolarHBondContact O-N 2.92Å; G309-E313 PolarHBondContact O-N 3.42Å |
| 310 | E | 96.7 | Very high | 95.6 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.5 | -42 | 178.2 | -73.9 | -167.2 | -167.1 | 0 | 0 | 112.5 | Q292 E306 I307 S312 E313 L314 | Q292-E310 PolarHBondContact NE2-OE1 2.86Å; Q292-E310 PolarHBondContact NE2-OE2 3.13Å; E306-E310 PolarHBondContact O-N 2.94Å; I307-E310 PolarHBondContact O-N 2.91Å; E310-S312 VanDerWaalsContact C-N 3.34Å; E310-S312 PolarHBondContact O-N 2.87Å; E310-E313 PolarHBondContact O-N 3.36Å; E310-L314 VanDerWaalsContact O-CB 3.24Å; E310-L314 WeakPolarHBondContact O-CB 3.49Å; E310-L314 PolarHBondContact O-N 2.76Å |
| 311 | L | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.1 | -32.5 | 178.1 | -65.2 | 170.9 | 0 | 0 | 0 | 112.4 | L146 F149 H150 C153 L289 I307 G309 A315 | L146-L311 HydrophobicContact CD1-CB 4.16Å; L146-L311 HydrophobicContact CD1-CD2 3.64Å; L146-L311 HydrophobicContact CD1-CG 4.49Å; F149-L311 HydrophobicContact CD1-CD1 3.63Å; F149-L311 HydrophobicContact CD1-CD2 3.93Å; F149-L311 HydrophobicContact CD1-CG 4.42Å; F149-L311 HydrophobicContact CE1-CD1 3.93Å; F149-L311 HydrophobicContact CE1-CD2 4.48Å; H150-L311 HydrophobicContact CB-CD1 4.5Å; C153-L311 HydrophobicContact CB-CD1 4.36Å; L289-L311 HydrophobicContact CD2-CD2 3.84Å; L289-L311 HydrophobicContact CD2-CG 4.2Å; I307-L311 HydrophobicContact CG2-CD1 3.9Å; I307-L311 WeakPolarHBondContact O-CB 3.27Å; I307-L311 WeakPolarHBondContact O-CG 3.47Å; I307-L311 PolarHBondContact O-N 2.94Å; G309-L311 VanDerWaalsContact C-N 3.28Å; G309-L311 PolarHBondContact O-N 2.83Å; L311-A315 VanDerWaalsContact O-CB 3.24Å; L311-A315 WeakPolarHBondContact O-CB 3.35Å; L311-A315 PolarHBondContact O-N 3.09Å |
| 312 | S | 95.1 | Very high | 95 | Very high | 51 Ų | 51 | 59.9 Ų | 59.9 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -73.3 | -40.6 | 176.6 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | L308 G309 E310 A315 S316 | L308-S312 VanDerWaalsContact O-CB 3.26Å; L308-S312 WeakPolarHBondContact O-CB 3.31Å; L308-S312 PolarHBondContact O-N 3.41Å; L308-S312 PolarHBondContact O-OG 3.2Å; G309-S312 WeakPolarHBondContact O-CB 3.44Å; G309-S312 PolarHBondContact O-N 2.92Å; E310-S312 VanDerWaalsContact C-N 3.34Å; E310-S312 PolarHBondContact O-N 2.87Å; S312-A315 PolarHBondContact O-N 3.41Å; S312-S316 WeakPolarHBondContact O-CB 3.42Å; S312-S316 PolarHBondContact O-N 3.39Å; S312-S316 PolarHBondContact O-OG 3.21Å |
| 313 | E | 94.3 | Very high | 94.3 | Very high | 137 Ų | 137 | 63.3 Ų | 63.3 | 64% | 0.64 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.8 | -47.2 | 172 | -69.3 | -170.8 | 162.1 | 0 | 0 | 110.8 | G309 E310 A315 S316 M317 | G309-E313 PolarHBondContact O-N 3.42Å; E310-E313 PolarHBondContact O-N 3.36Å; E313-A315 VanDerWaalsContact C-N 3.3Å; E313-A315 PolarHBondContact O-N 3.08Å; E313-S316 WeakPolarHBondContact O-CB 3.43Å; E313-S316 PolarHBondContact O-N 3.33Å; E313-S316 VanDerWaalsContact O-N 3.15Å; E313-M317 WeakPolarHBondContact O-CB 3.13Å; E313-M317 VanDerWaalsContact O-CG 3.31Å; E313-M317 WeakPolarHBondContact O-CG 3.45Å; E313-M317 PolarHBondContact O-N 3.03Å |
| 314 | L | 94.2 | Very high | 93.7 | Very high | 22 Ų | 22 | 61.5 Ų | 61.5 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.4 | -33.1 | 178.3 | -174 | 62.1 | 0 | 0 | 0 | 113 | L146 P285 F286 E310 R318 | L146-L314 HydrophobicContact CD1-CD2 4.33Å; L146-L314 HydrophobicContact CD2-CG 4.26Å; P285-L314 HydrophobicContact CB-CD1 3.89Å; P285-L314 HydrophobicContact CB-CD2 3.8Å; P285-L314 HydrophobicContact CG-CD1 3.93Å; F286-L314 HydrophobicContact CD1-CD2 4.13Å; F286-L314 HydrophobicContact CE1-CD2 3.57Å; F286-L314 HydrophobicContact CZ-CD2 4.24Å; E310-L314 VanDerWaalsContact O-CB 3.24Å; E310-L314 WeakPolarHBondContact O-CB 3.49Å; E310-L314 PolarHBondContact O-N 2.76Å; L314-R318 WeakPolarHBondContact O-CD 3.31Å; L314-R318 VanDerWaalsContact O-CG 3.26Å; L314-R318 WeakPolarHBondContact O-CG 3.41Å |
| 315 | A | 94.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 5% | 0.05 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.5 | -45.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L146 L311 S312 E313 R318 E319 V320 V322 | L146-A315 HydrophobicContact CD2-CB 4.02Å; L311-A315 VanDerWaalsContact O-CB 3.24Å; L311-A315 WeakPolarHBondContact O-CB 3.35Å; L311-A315 PolarHBondContact O-N 3.09Å; S312-A315 PolarHBondContact O-N 3.41Å; E313-A315 VanDerWaalsContact C-N 3.3Å; E313-A315 PolarHBondContact O-N 3.08Å; A315-R318 CarbonylContact O-C 3.58Å; A315-R318 PolarHBondContact O-N 3.28Å; A315-R318 VanDerWaalsContact O-N 3.13Å; A315-E319 PolarHBondContact O-N 3.24Å; A315-V320 PolarHBondContact O-N 3.02Å; A315-V322 HydrophobicContact CB-CG1 3.6Å; A315-V322 HydrophobicContact CB-CG2 4.26Å |
| 316 | S | 93.6 | Very high | 92.9 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 65% | 0.65 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 178.1 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | S312 E313 R318 E319 | S312-S316 WeakPolarHBondContact O-CB 3.42Å; S312-S316 PolarHBondContact O-N 3.39Å; S312-S316 PolarHBondContact O-OG 3.21Å; E313-S316 WeakPolarHBondContact O-CB 3.43Å; E313-S316 PolarHBondContact O-N 3.33Å; E313-S316 VanDerWaalsContact O-N 3.15Å; S316-R318 PolarHBondContact O-N 2.9Å; S316-R318 VanDerWaalsContact O-N 3.09Å; S316-E319 PolarHBondContact O-N 3.05Å |
| 317 | M | 91.4 | Very high | 92.2 | Very high | 158 Ų | 158 | 57.8 Ų | 57.8 | 78% | 0.778 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -11.2 | 176.4 | -73.2 | 179.1 | 68.5 | 0 | 0 | 114.6 | E313 | E313-M317 WeakPolarHBondContact O-CB 3.13Å; E313-M317 VanDerWaalsContact O-CG 3.31Å; E313-M317 WeakPolarHBondContact O-CG 3.45Å; E313-M317 PolarHBondContact O-N 3.03Å |
| 318 | R | 92.3 | Very high | 91.4 | Very high | 57 Ų | 57 | 60.5 Ų | 60.5 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 1.7 | -176.6 | -65 | 176.9 | 179.1 | -140.2 | 2.7 | 113.8 | S142 N143 E282 L314 A315 S316 V320 | S142-R318 PolarHBondContact OG-NH1 3.07Å; N143-R318 PolarHBondContact OD1-NH1 2.97Å; E282-R318 PolarHBondContact O-NH2 2.62Å; E282-R318 IonicContact OE1-NH1 3.33Å; L314-R318 WeakPolarHBondContact O-CD 3.31Å; L314-R318 VanDerWaalsContact O-CG 3.26Å; L314-R318 WeakPolarHBondContact O-CG 3.41Å; A315-R318 CarbonylContact O-C 3.58Å; A315-R318 PolarHBondContact O-N 3.28Å; A315-R318 VanDerWaalsContact O-N 3.13Å; S316-R318 PolarHBondContact O-N 2.9Å; S316-R318 VanDerWaalsContact O-N 3.09Å; R318-V320 HydrophobicContact CB-CB 4.49Å; R318-V320 HydrophobicContact CB-CG2 3.67Å; R318-V320 PolarHBondContact O-N 3.21Å |
| 319 | E | 91.6 | Very high | 90.5 | Very high | 189 Ų | 189 | 60 Ų | 60 | 88% | 0.883 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 31.3 | -174.5 | -55.1 | 179.4 | 171.6 | 0 | 0 | 112.7 | A315 S316 | A315-E319 PolarHBondContact O-N 3.24Å; S316-E319 PolarHBondContact O-N 3.05Å |
| 320 | V | 90.6 | Very high | 89.7 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | trans | -92 | 112.8 | -177.6 | 177 | 0 | 0 | 0 | 0 | 110.6 | N143 L146 Q147 A315 R318 V322 | N143-V320 HydrophobicContact CB-CG1 4.33Å; N143-V320 HydrophobicContact CB-CG2 3.77Å; N143-V320 WeakPolarHBondContact ND2-CG2 3.21Å; L146-V320 HydrophobicContact CD2-CB 4.37Å; L146-V320 HydrophobicContact CD2-CG1 4.41Å; Q147-V320 HydrophobicContact CG-CG1 4.05Å; A315-V320 PolarHBondContact O-N 3.02Å; R318-V320 HydrophobicContact CB-CB 4.49Å; R318-V320 HydrophobicContact CB-CG2 3.67Å; R318-V320 PolarHBondContact O-N 3.21Å; V320-V322 HydrophobicContact CG1-CG1 4.1Å; V320-V322 PolarHBondContact O-N 2.99Å | ||
| 321 | Q | 89.8 | Confident | 88.9 | Confident | 111 Ų | 111 | 62.2 Ų | 62.2 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | trans | -65 | 105.4 | 164.1 | -80.4 | -73.1 | 7.6 | 0 | 0 | 110.1 | Q147 E1061 | Q147-Q321 PolarHBondContact NE2-O 3.46Å; Q321-E1061 PolarHBondContact NE2-OE1 3.08Å | ||
| 322 | V | 91.4 | Very high | 88.1 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 9% | 0.085 | 35% | 0.351 | C | S | . | . | trans | -84.3 | -13 | 179.3 | -72.9 | 0 | 0 | 0 | 0 | 113.9 | L146 H150 Q151 A315 V320 | L146-V322 HydrophobicContact CD1-CG1 4.44Å; L146-V322 HydrophobicContact CD2-CG1 4.29Å; L146-V322 HydrophobicContact CG-CG1 3.79Å; H150-V322 HydrophobicContact CB-CB 4.09Å; H150-V322 HydrophobicContact CB-CG1 4.27Å; H150-V322 VanDerWaalsContact CE1-CG2 3.49Å; H150-V322 WeakPolarHBondContact CE1-CG2 3.29Å; H150-V322 WeakPolarHBondContact ND1-CB 3.12Å; H150-V322 WeakPolarHBondContact ND1-CG2 3.44Å; Q151-V322 WeakPolarHBondContact CG-O 3.23Å; Q151-V322 PolarHBondContact NE2-O 3.46Å; A315-V322 HydrophobicContact CB-CG1 3.6Å; A315-V322 HydrophobicContact CB-CG2 4.26Å; V320-V322 HydrophobicContact CG1-CG1 4.1Å; V320-V322 PolarHBondContact O-N 2.99Å | ||
| 323 | S | 83 | Confident | 87.3 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 60% | 0.601 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -98.4 | 129 | 177.6 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 324 | G | 86.4 | Confident | 86.5 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 112.8 | -156.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q151 | Q151-G324 PolarHBondContact NE2-O 2.52Š|
| 325 | S | 88.2 | Confident | 85.5 | Confident | 48 Ų | 48 | 67.1 Ų | 67.1 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | trans | -67.3 | 145.9 | -176.9 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | N181 P327 | N181-S325 VanDerWaalsContact O-CA 3.28Å; N181-S325 WeakPolarHBondContact O-CA 3.44Å; N181-S325 WeakPolarHBondContact O-CB 3.45Å; N181-S325 PolarHBondContact O-OG 3.23Å; S325-P327 WeakPolarHBondContact O-CD 3.46Å | ||
| 326 | I | 90.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -105.4 | 96.4 | -179.2 | -55.1 | -178 | 0 | 0 | 0 | 108.7 | I144 Q147 I148 F182 I184 L328 L329 E330 | I144-I326 HydrophobicContact CD1-CG2 3.99Å; I144-I326 HydrophobicContact CG2-CG2 3.91Å; Q147-I326 HydrophobicContact CB-CD1 4.14Å; Q147-I326 HydrophobicContact CB-CG1 4.11Å; Q147-I326 HydrophobicContact CB-CG2 4.4Å; I148-I326 HydrophobicContact CG1-CD1 3.83Å; F182-I326 WeakPolarHBondContact O-CG1 3.15Å; I184-I326 HydrophobicContact CD1-CD1 4.44Å; I184-I326 HydrophobicContact CG1-CD1 3.89Å; I326-L328 VanDerWaalsContact C-N 3.34Å; I326-L328 PolarHBondContact O-N 2.91Å; I326-L329 HydrophobicContact CB-CD1 3.92Å; I326-L329 HydrophobicContact CB-CG 4.19Å; I326-L329 HydrophobicContact CD1-CD1 4.16Å; I326-L329 HydrophobicContact CG2-CB 4.5Å; I326-L329 HydrophobicContact CG2-CD1 3.67Å; I326-L329 HydrophobicContact CG2-CG 3.68Å; I326-L329 PolarHBondContact O-N 3.16Å; I326-L329 VanDerWaalsContact O-N 3.08Å; I326-E330 PolarHBondContact O-N 2.99Å | ||
| 327 | P | 83 | Confident | 82.6 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 49% | 0.494 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.9 | -30.3 | -159.5 | -24.6 | 35.8 | 0 | 0 | 0 | 115 | S325 L329 E330 E331 | S325-P327 WeakPolarHBondContact O-CD 3.46Å; P327-L329 VanDerWaalsContact C-N 3.32Å; P327-L329 PolarHBondContact O-N 3.04Å; P327-E330 WeakPolarHBondContact O-CB 3.27Å; P327-E330 PolarHBondContact O-N 3.46Å; P327-E331 PolarHBondContact O-N 3.14Å |
| 328 | L | 81.1 | Confident | 80.6 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 29% | 0.293 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 177.5 | -171 | 75.6 | 0 | 0 | 0 | 111.6 | L140 P141 I144 I326 E331 V332 | L140-L328 HydrophobicContact CD2-CD2 4.14Å; P141-L328 HydrophobicContact CG-CD2 4Å; I144-L328 HydrophobicContact CD1-CB 3.69Å; I144-L328 HydrophobicContact CG1-CB 3.87Å; I144-L328 HydrophobicContact CG1-CD2 3.97Å; I144-L328 HydrophobicContact CG2-CD2 4.34Å; I326-L328 VanDerWaalsContact C-N 3.34Å; I326-L328 PolarHBondContact O-N 2.91Å; L328-E331 PolarHBondContact O-N 2.81Å; L328-V332 WeakPolarHBondContact O-CG2 3.38Å; L328-V332 PolarHBondContact O-N 2.88Å |
| 329 | L | 79.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70 | -37.3 | -179.3 | -53.4 | -178.7 | 0 | 0 | 0 | 110.5 | L127 Y130 I148 L178 F182 I326 P327 V332 A333 | L127-L329 HydrophobicContact CD1-CD1 3.85Å; Y130-L329 HydrophobicContact CD1-CB 4.47Å; I148-L329 HydrophobicContact CD1-CD1 4.26Å; I148-L329 HydrophobicContact CG1-CD1 4.3Å; L178-L329 HydrophobicContact CD1-CD1 4.1Å; L178-L329 HydrophobicContact CD2-CD1 3.77Å; F182-L329 HydrophobicContact CD1-CB 3.85Å; I326-L329 HydrophobicContact CB-CD1 3.92Å; I326-L329 HydrophobicContact CB-CG 4.19Å; I326-L329 HydrophobicContact CD1-CD1 4.16Å; I326-L329 HydrophobicContact CG2-CB 4.5Å; I326-L329 HydrophobicContact CG2-CD1 3.67Å; I326-L329 HydrophobicContact CG2-CG 3.68Å; I326-L329 PolarHBondContact O-N 3.16Å; I326-L329 VanDerWaalsContact O-N 3.08Å; P327-L329 VanDerWaalsContact C-N 3.32Å; P327-L329 PolarHBondContact O-N 3.04Å; L329-V332 PolarHBondContact O-N 3.36Å; L329-A333 PolarHBondContact O-N 3.31Å |
| 330 | E | 79.7 | Confident | 75.5 | Confident | 66 Ų | 66 | 68.9 Ų | 68.9 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 170.8 | -171.3 | -171.7 | 175.4 | 0 | 0 | 111.6 | F182 I326 P327 A333 K334 | F182-E330 HydrophobicContact CD2-CB 3.62Å; F182-E330 HydrophobicContact CD2-CG 3.82Å; F182-E330 HydrophobicContact CE2-CB 3.78Å; F182-E330 HydrophobicContact CE2-CG 3.62Å; F182-E330 HydrophobicContact CG-CB 4.04Å; F182-E330 HydrophobicContact CZ-CB 4.31Å; F182-E330 HydrophobicContact CZ-CG 4.35Å; I326-E330 PolarHBondContact O-N 2.99Å; P327-E330 WeakPolarHBondContact O-CB 3.27Å; P327-E330 PolarHBondContact O-N 3.46Å; E330-A333 WeakPolarHBondContact O-CB 3.32Å; E330-A333 PolarHBondContact O-N 3.4Å; E330-K334 HydrophobicContact CG-CD 4.34Å; E330-K334 WeakPolarHBondContact O-CG 3.28Å; E330-K334 PolarHBondContact O-N 3.1Å; E330-K334 WeakPolarHBondContact OE1-CE 3.46Å; E330-K334 IonicContact OE1-NZ 3.84Å; E330-K334 PolarHBondContact OE1-NZ 3.43Å; E330-K334 IonicContact OE2-NZ 2.74Å |
| 331 | E | 79.6 | Confident | 72.7 | Confident | 88 Ų | 88 | 72.3 Ų | 72.3 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.6 | -38.3 | 178.1 | -145.9 | -159 | 139.1 | 0 | 0 | 112.7 | P327 L328 A333 K334 R335 | P327-E331 PolarHBondContact O-N 3.14Å; L328-E331 PolarHBondContact O-N 2.81Å; E331-A333 VanDerWaalsContact C-N 3.29Å; E331-A333 PolarHBondContact O-N 3.43Å; E331-K334 PolarHBondContact O-N 2.99Å; E331-R335 VanDerWaalsContact CD-NH2 3.34Å; E331-R335 WeakPolarHBondContact O-CB 3.19Å; E331-R335 VanDerWaalsContact O-CG 3.28Å; E331-R335 WeakPolarHBondContact O-CG 3.4Å; E331-R335 PolarHBondContact O-N 3.17Å; E331-R335 IonicContact OE1-CZ 2.7Å; E331-R335 IonicContact OE1-NE 3.45Å; E331-R335 PolarHBondContact OE1-NE 3.22Å; E331-R335 IonicContact OE1-NH2 3.39Å; E331-R335 PolarHBondContact OE1-NH2 3.28Å; E331-R335 IonicContact OE2-NH2 3.01Å |
| 332 | V | 80.9 | Confident | 70 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 22% | 0.218 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 171.6 | 170.5 | 0 | 0 | 0 | 0 | 111 | Y130 L328 L329 R336 | Y130-V332 HydrophobicContact CD1-CB 4.21Å; Y130-V332 HydrophobicContact CD1-CG1 3.82Å; L328-V332 WeakPolarHBondContact O-CG2 3.38Å; L328-V332 PolarHBondContact O-N 2.88Å; L329-V332 PolarHBondContact O-N 3.36Å; V332-R336 PolarHBondContact O-N 3.18Å; V332-R336 VanDerWaalsContact O-N 3.13Å |
| 333 | A | 76.7 | Confident | 67.2 | Low | 13 Ų | 13 | 75 Ų | 75 | 11% | 0.107 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y130 F182 L329 E330 E331 R335 R336 N337 | Y130-A333 HydrophobicContact CE1-CB 3.91Å; F182-A333 HydrophobicContact CE1-CB 3.74Å; F182-A333 HydrophobicContact CZ-CB 3.48Å; F182-A333 VanDerWaalsContact CZ-CB 3.48Å; L329-A333 PolarHBondContact O-N 3.31Å; E330-A333 WeakPolarHBondContact O-CB 3.32Å; E330-A333 PolarHBondContact O-N 3.4Å; E331-A333 VanDerWaalsContact C-N 3.29Å; E331-A333 PolarHBondContact O-N 3.43Å; A333-R335 PolarHBondContact O-N 3.08Å; A333-R336 PolarHBondContact O-N 3.19Å; A333-N337 PolarHBondContact O-N 3.17Å |
| 334 | K | 77.5 | Confident | 64.6 | Low | 111 Ų | 111 | 79.3 Ų | 79.3 | 48% | 0.483 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.2 | -50.1 | 177.9 | -72.5 | 165.7 | -178.9 | 166.3 | 0 | 111.1 | E330 E331 R336 N337 V338 | E330-K334 HydrophobicContact CG-CD 4.34Å; E330-K334 WeakPolarHBondContact O-CG 3.28Å; E330-K334 PolarHBondContact O-N 3.1Å; E330-K334 WeakPolarHBondContact OE1-CE 3.46Å; E330-K334 IonicContact OE1-NZ 3.84Å; E330-K334 PolarHBondContact OE1-NZ 3.43Å; E330-K334 IonicContact OE2-NZ 2.74Å; E331-K334 PolarHBondContact O-N 2.99Å; K334-R336 VanDerWaalsContact C-N 3.3Å; K334-R336 PolarHBondContact O-N 3.08Å; K334-N337 PolarHBondContact O-N 3.34Å; K334-V338 WeakPolarHBondContact O-CG2 3.46Å; K334-V338 PolarHBondContact O-N 2.79Å |
| 335 | R | 74.6 | Confident | 61.8 | Low | 153 Ų | 153 | 83.8 Ų | 83.8 | 58% | 0.577 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.4 | -37.5 | 178.2 | -69.9 | 172.7 | -175.6 | -164.8 | 6.5 | 112.5 | E331 A333 | E331-R335 VanDerWaalsContact CD-NH2 3.34Å; E331-R335 WeakPolarHBondContact O-CB 3.19Å; E331-R335 VanDerWaalsContact O-CG 3.28Å; E331-R335 WeakPolarHBondContact O-CG 3.4Å; E331-R335 PolarHBondContact O-N 3.17Å; E331-R335 IonicContact OE1-CZ 2.7Å; E331-R335 IonicContact OE1-NE 3.45Å; E331-R335 PolarHBondContact OE1-NE 3.22Å; E331-R335 IonicContact OE1-NH2 3.39Å; E331-R335 PolarHBondContact OE1-NH2 3.28Å; E331-R335 IonicContact OE2-NH2 3.01Å; A333-R335 PolarHBondContact O-N 3.08Å |
| 336 | R | 67 | Low | 58.8 | Low | 120 Ų | 120 | 86.3 Ų | 86.3 | 45% | 0.453 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.5 | -44.2 | 175.8 | -78.5 | -170.4 | 175.3 | 129.8 | -8.3 | 113.6 | K129 V332 A333 K334 V338 N339 V340 | K129-R336 PolarHBondContact O-NH1 3.03Å; K129-R336 PolarHBondContact O-NH2 2.89Å; V332-R336 PolarHBondContact O-N 3.18Å; V332-R336 VanDerWaalsContact O-N 3.13Å; A333-R336 PolarHBondContact O-N 3.19Å; K334-R336 VanDerWaalsContact C-N 3.3Å; K334-R336 PolarHBondContact O-N 3.08Å; R336-V338 VanDerWaalsContact C-N 3.32Å; R336-V338 PolarHBondContact O-N 2.95Å; R336-N339 PolarHBondContact O-N 3.01Å; R336-N339 VanDerWaalsContact O-N 3.14Å; R336-V340 PolarHBondContact O-N 3.27Å |
| 337 | N | 58.6 | Low | 55.6 | Low | 113 Ų | 113 | 94.6 Ų | 94.6 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | -179.1 | -78.8 | -19.4 | 0 | 0 | 0 | 112.3 | A333 K334 N339 V340 S341 | A333-N337 PolarHBondContact O-N 3.17Å; K334-N337 PolarHBondContact O-N 3.34Å; N337-N339 VanDerWaalsContact C-N 3.3Å; N337-N339 PolarHBondContact O-N 2.93Å; N337-V340 PolarHBondContact O-N 3.36Å; N337-V340 VanDerWaalsContact O-N 3.09Å; N337-S341 PolarHBondContact O-N 2.85Å; N337-S341 VanDerWaalsContact O-N 3.16Å; N337-S341 PolarHBondContact O-OG 2.71Å |
| 338 | V | 50.2 | Low | 52.9 | Low | 100 Ų | 100 | 96.3 Ų | 96.3 | 61% | 0.606 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.3 | -43.5 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | K334 R336 V340 S341 A342 | K334-V338 WeakPolarHBondContact O-CG2 3.46Å; K334-V338 PolarHBondContact O-N 2.79Å; R336-V338 VanDerWaalsContact C-N 3.32Å; R336-V338 PolarHBondContact O-N 2.95Å; V338-V340 VanDerWaalsContact C-N 3.28Å; V338-V340 PolarHBondContact O-N 2.9Å; V338-S341 PolarHBondContact O-N 3.41Å; V338-A342 PolarHBondContact O-N 2.8Å |
| 339 | N | 39.3 | Very low | 50.3 | Low | 116 Ų | 116 | 101 Ų | 101 | 62% | 0.62 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.3 | -18.2 | 179.1 | -72.5 | -11.5 | 0 | 0 | 0 | 114 | R336 N337 T343 | R336-N339 PolarHBondContact O-N 3.01Å; R336-N339 VanDerWaalsContact O-N 3.14Å; N337-N339 VanDerWaalsContact C-N 3.3Å; N337-N339 PolarHBondContact O-N 2.93Å; N339-T343 PolarHBondContact O-OG1 2.93Å |
| 340 | V | 36.7 | Very low | 47.7 | Very low | 91 Ų | 91 | 108.5 Ų | 108.5 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -81.4 | -40.1 | 173 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | R336 N337 V338 A342 T343 | R336-V340 PolarHBondContact O-N 3.27Å; N337-V340 PolarHBondContact O-N 3.36Å; N337-V340 VanDerWaalsContact O-N 3.09Å; V338-V340 VanDerWaalsContact C-N 3.28Å; V338-V340 PolarHBondContact O-N 2.9Å; V340-A342 VanDerWaalsContact C-N 3.26Å; V340-A342 PolarHBondContact O-N 2.72Å; V340-T343 PolarHBondContact O-N 3.45Å |
| 341 | S | 32.6 | Very low | 45.2 | Very low | 92 Ų | 92 | 115.7 Ų | 115.7 | 64% | 0.643 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.2 | -29.5 | 176.2 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | N337 V338 T343 | N337-S341 PolarHBondContact O-N 2.85Å; N337-S341 VanDerWaalsContact O-N 3.16Å; N337-S341 PolarHBondContact O-OG 2.71Å; V338-S341 PolarHBondContact O-N 3.41Å; S341-T343 PolarHBondContact O-N 2.84Å |
| 342 | A | 33.3 | Very low | 42.8 | Very low | 69 Ų | 69 | 118 Ų | 118 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -21.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V338 V340 | V338-A342 PolarHBondContact O-N 2.8Å; V340-A342 VanDerWaalsContact C-N 3.26Å; V340-A342 PolarHBondContact O-N 2.72Å |
| 343 | T | 31.6 | Very low | 40.5 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 69% | 0.693 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 1 | -171.9 | -37 | 0 | 0 | 0 | 0 | 113.3 | N339 V340 S341 | N339-T343 PolarHBondContact O-OG1 2.93Å; V340-T343 PolarHBondContact O-N 3.45Å; S341-T343 PolarHBondContact O-N 2.84Å |
| 344 | F | 29.5 | Very low | 38.2 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 77% | 0.772 | 68% | 0.683 | S | S | * | * | trans | -118.5 | 32.6 | -178.6 | -92.8 | -79.4 | 0 | 0 | 0 | 114.2 | S346 | F344-S346 PolarHBondContact O-N 2.87Š| ||
| 345 | T | 27.5 | Very low | 35.8 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | -75.9 | 72.5 | 164.9 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | Q347 | T345-Q347 PolarHBondContact O-N 3.12Š| ||
| 346 | S | 25 | Very low | 33.6 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 117.4 | 162 | 52.6 | 0 | 0 | 0 | 0 | 108.7 | F344 P348 | F344-S346 PolarHBondContact O-N 2.87Å; S346-P348 VanDerWaalsContact O-CD 3.3Å; S346-P348 WeakPolarHBondContact O-CD 3.47Å |
| 347 | Q | 23.4 | Very low | 31.8 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 121.9 | 179.3 | -71.7 | -170.6 | -5.6 | 0 | 0 | 110.3 | T345 I349 | T345-Q347 PolarHBondContact O-N 3.12Å; Q347-I349 PolarHBondContact O-N 3.41Å |
| 348 | P | 26.3 | Very low | 30.5 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 116.2 | 162.9 | 29 | -31 | 0 | 0 | 0 | 107.6 | S346 N350 | S346-P348 VanDerWaalsContact O-CD 3.3Å; S346-P348 WeakPolarHBondContact O-CD 3.47Å; P348-N350 PolarHBondContact O-N 3Å |
| 349 | I | 25.9 | Very low | 29.5 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -73.8 | 79.5 | 172.5 | -55.6 | 177.9 | 0 | 0 | 0 | 108 | Q347 | Q347-I349 PolarHBondContact O-N 3.41Š| ||
| 350 | N | 25.5 | Very low | 29.3 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -107.5 | 94 | 170.5 | -124.7 | 1.5 | 0 | 0 | 0 | 108.3 | P348 | P348-N350 PolarHBondContact O-N 3Š| ||
| 351 | R | 26.7 | Very low | 29.2 | Very low | 216 Ų | 216 | 144.9 Ų | 144.9 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | -90.8 | 153.8 | 166.7 | -80 | -175.8 | 169.5 | 174.1 | -3.4 | 109.3 | ||||
| 352 | N | 30.8 | Very low | 29.1 | Very low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 75.5 | 77.5 | 169.7 | -55.1 | 12 | 0 | 0 | 0 | 115.8 | ||||
| 353 | D | 31 | Very low | 29.1 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | 57.2 | 147.5 | 106.7 | -53 | -34.7 | 0 | 0 | 0 | 122.6 | |||||
| 354 | S | 29.1 | Very low | 28.8 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 77 | 84 | 149.4 | -59.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 355 | K | 26.3 | Very low | 29 | Very low | 222 Ų | 222 | 149.3 Ų | 149.3 | 97% | 0.965 | 80% | 0.802 | S | S | * | * | trans | -136.2 | 91 | 131.5 | -83.6 | -160.9 | 176.1 | -175.5 | 0 | 111.5 | ||||
| 356 | A | 28.4 | Very low | 29.1 | Very low | 88 Ų | 88 | 147.6 Ų | 147.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -154.8 | 114 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 357 | N | 30.8 | Very low | 29.3 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | 173.1 | 117 | 137.2 | -93 | -13.2 | 0 | 0 | 0 | 110 | ||||
| 358 | E | 29.8 | Very low | 29.8 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | trans | -143.5 | 140.5 | 143.4 | -138.1 | 176.6 | -150.7 | 0 | 0 | 108.8 | ||||
| 359 | Y | 30.3 | Very low | 30.1 | Very low | 205 Ų | 205 | 149.5 Ų | 149.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 72.5 | 144.3 | 178.4 | -66.6 | -78.3 | 0 | 0 | 0 | 120.4 | ||||
| 360 | H | 33.8 | Very low | 30.5 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -105.7 | 171.7 | -153.7 | -96.1 | -65.1 | 0 | 0 | 0 | 114.1 | ||||
| 361 | P | 35.5 | Very low | 30.9 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -103 | 173.6 | -166.1 | 40.5 | -37.3 | 0 | 0 | 0 | 115.8 | ||||
| 362 | G | 31.6 | Very low | 31.4 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -166 | 130.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 363 | S | 31.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 10.7 | 110.8 | 159.9 | -163.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 364 | M | 27.2 | Very low | 32 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | 56.7 | 125.1 | 88 | -66.3 | -158.1 | 76.4 | 0 | 0 | 118 | |||||
| 365 | H | 33.1 | Very low | 32.1 | Very low | 199 Ų | 199 | 141.4 Ų | 141.4 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -144.6 | 157.1 | 148.2 | -101 | -72.6 | 0 | 0 | 0 | 109 | ||||
| 366 | S | 30.1 | Very low | 32.3 | Very low | 87 Ų | 87 | 139 Ų | 139 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | trans | -151.3 | 139.9 | -159.9 | 56.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 367 | E | 29.2 | Very low | 32.6 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 68.1 | 165.9 | 148.1 | -67.5 | -174 | 157.1 | 0 | 0 | 122 | ||||
| 368 | N | 33.2 | Very low | 32.5 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | trans | 81.4 | 140.1 | 158.5 | -66.9 | -59.6 | 0 | 0 | 0 | 117.8 | ||||
| 369 | N | 33 | Very low | 32.5 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -168.3 | 169.6 | -18.1 | -136.8 | -12.8 | 0 | 0 | 0 | 107.3 | ||||
| 370 | V | 33.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | cis | -140.9 | -152.3 | 5.1 | -151.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 371 | V | 34.6 | Very low | 32.5 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | 77.7 | 128.6 | 165.7 | -175.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 372 | A | 36.3 | Very low | 32 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | cis | -159.5 | 163 | -19.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 373 | N | 29.6 | Very low | 31.9 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -161.3 | 171.3 | 171.1 | -151 | -17.9 | 0 | 0 | 0 | 107.4 | ||||
| 374 | P | 44.9 | Very low | 32.1 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | -159.9 | 155.6 | 88.1 | 40.2 | -19.4 | 0 | 0 | 0 | 119.7 | |||||
| 375 | Q | 32.3 | Very low | 32.2 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | 65.6 | 117.6 | 137.7 | -67.4 | -84.4 | -15.3 | 0 | 0 | 121.5 | ||||
| 376 | L | 30.4 | Very low | 32.5 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | -139.1 | 155 | 94.3 | -148.7 | 74.5 | 0 | 0 | 0 | 111.8 | |||||
| 377 | S | 34 | Very low | 32.5 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | -52.4 | 142.4 | -164.7 | 54.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 378 | S | 28.7 | Very low | 32.6 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -93.3 | 163.4 | 155.9 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 379 | N | 31.2 | Very low | 32.4 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -163 | 160 | 131.8 | -101.8 | -24.1 | 0 | 0 | 0 | 115.2 | ||||
| 380 | K | 27.2 | Very low | 32.2 | Very low | 199 Ų | 199 | 138.3 Ų | 138.3 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -141 | -162.5 | -177.4 | -125.2 | -176.2 | -179.5 | 174.7 | 0 | 106.1 | ||||
| 381 | P | 36 | Very low | 32.1 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | cis | -130.4 | -157.6 | -9.1 | 38.7 | -17.8 | 0 | 0 | 0 | 113.1 | ||||
| 382 | S | 25.6 | Very low | 31.9 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -123.8 | 146.9 | 178.7 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 383 | R | 28.3 | Very low | 31.6 | Very low | 240 Ų | 240 | 142.8 Ų | 142.8 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | 178.3 | 171.6 | 169.3 | -110.1 | -162.6 | 162.6 | -171.7 | -4.8 | 109.6 | ||||
| 384 | P | 36.8 | Very low | 31.5 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | cis | -131.8 | 178.6 | -45.8 | 37.6 | -20.8 | 0 | 0 | 0 | 113.3 | ||||
| 385 | N | 29.1 | Very low | 30.7 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -87.6 | 153.4 | 163.4 | -75.2 | -7.1 | 0 | 0 | 0 | 112.3 | ||||
| 386 | P | 38.4 | Very low | 30.4 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -115.6 | 151.2 | 159.4 | 37.6 | -28.3 | 0 | 0 | 0 | 114.1 | ||||
| 387 | I | 30 | Very low | 30.7 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -143.9 | 136.5 | 167.3 | -35.9 | 178.1 | 0 | 0 | 0 | 103.5 | ||||
| 388 | T | 31.2 | Very low | 30.4 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 61% | 0.613 | 79% | 0.787 | S | S | * | * | 177.3 | 153 | 67.1 | -44.5 | 0 | 0 | 0 | 0 | 109.6 | L390 | T388-L390 HydrophobicContact CG2-CD1 4.17Å; T388-L390 HydrophobicContact CG2-CG 4.39Å | |||
| 389 | M | 30.7 | Very low | 30.5 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 164.2 | 103.6 | 134.6 | -85.2 | -47.9 | 172.8 | 0 | 0 | 108 | ||||
| 390 | L | 27.6 | Very low | 30.3 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | 71.9 | 102.1 | 69.9 | -83.5 | 167.8 | 0 | 0 | 0 | 116.1 | T388 | T388-L390 HydrophobicContact CG2-CD1 4.17Å; T388-L390 HydrophobicContact CG2-CG 4.39Å | |||
| 391 | S | 31.1 | Very low | 30.6 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | -172.5 | 121.3 | 122.6 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 392 | Q | 31.2 | Very low | 30.3 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | trans | 63.2 | 154.8 | 142.8 | -58.1 | -178.6 | 21.5 | 0 | 0 | 118.7 | ||||
| 393 | Q | 30.1 | Very low | 31 | Very low | 176 Ų | 176 | 144.2 Ų | 144.2 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | cis | -147.6 | -165.7 | -11.4 | -124.5 | 171.3 | 16.5 | 0 | 0 | 110.2 | ||||
| 394 | K | 27.1 | Very low | 31.6 | Very low | 187 Ų | 187 | 138.3 Ų | 138.3 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -139.7 | 134.5 | -166 | 178.5 | -173.7 | -175.9 | -177.6 | 0 | 110 | ||||
| 395 | L | 27.8 | Very low | 31.4 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | 155.1 | 145.9 | 146.9 | -85.2 | 159.6 | 0 | 0 | 0 | 114.6 | ||||
| 396 | N | 25.8 | Very low | 31.6 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -96.2 | 177 | 155.4 | -75.2 | -10.4 | 0 | 0 | 0 | 108.1 | ||||
| 397 | P | 37.7 | Very low | 31.2 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -142.8 | 168.8 | 13.4 | 40.1 | -19 | 0 | 0 | 0 | 119.3 | ||||
| 398 | T | 27.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | 20.5 | 135.1 | 141.2 | -37.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 399 | V | 29.6 | Very low | 31.1 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -176.4 | 151.2 | 142.5 | 134.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 400 | S | 26.4 | Very low | 31.1 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 55% | 0.552 | 76% | 0.761 | S | S | * | * | cis | -171.3 | 178.7 | -28.6 | -168.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 401 | F | 35.6 | Very low | 31.3 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 70.3 | 149.3 | 173.2 | -44.4 | -78.3 | 0 | 0 | 0 | 116.1 | ||||
| 402 | N | 28.5 | Very low | 31.1 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | cis | 77.4 | 157.8 | 10.3 | -52.7 | -47 | 0 | 0 | 0 | 117.6 | ||||
| 403 | P | 40.6 | Very low | 30.9 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -102.9 | -147.7 | -20.4 | 43.7 | -32.5 | 0 | 0 | 0 | 109 | ||||
| 404 | P | 40 | Very low | 30.8 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | -117 | -160.2 | -25.8 | 43.5 | -28.4 | 0 | 0 | 0 | 110.5 | ||||
| 405 | T | 33.8 | Very low | 30.8 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | cis | -130.4 | 146.3 | -8.6 | 42.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 406 | S | 32.7 | Very low | 30.7 | Very low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 56.4 | 143.1 | 157.6 | 55.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 407 | S | 30.8 | Very low | 30.9 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -173.4 | 154 | -17.3 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 408 | S | 30.2 | Very low | 30.4 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | 16.4 | 111 | 152.5 | 55.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 409 | S | 29 | Very low | 30.6 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | 64.3 | 118.8 | 74.4 | 77.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 410 | S | 30.2 | Very low | 30.6 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -146.4 | 149.3 | 172.6 | 54 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 411 | S | 32.6 | Very low | 30.7 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | cis | -165 | 170.7 | -29.2 | 45.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 412 | S | 25 | Very low | 30.5 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | -141.7 | 139.8 | 165.3 | -68.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 413 | S | 28.5 | Very low | 30.5 | Very low | 111 Ų | 111 | 117.1 Ų | 117.1 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 66.8 | 84.7 | 161.2 | -54.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 414 | T | 26.5 | Very low | 30.1 | Very low | 135 Ų | 135 | 117 Ų | 117 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | 55.7 | 156.7 | 116 | -39.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 415 | V | 27.2 | Very low | 29.4 | Very low | 129 Ų | 129 | 117.8 Ų | 117.8 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | trans | 105.9 | 140 | 158.6 | 179 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 416 | V | 26.5 | Very low | 29 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | cis | -164.6 | -146.8 | -35.5 | 77.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 417 | I | 29.7 | Very low | 28.7 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | trans | 88.5 | 82.7 | 167.5 | -48.5 | -63.6 | 0 | 0 | 0 | 115.5 | ||||
| 418 | T | 28.3 | Very low | 28.5 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | 94.3 | 137.5 | 89.3 | -69.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 419 | T | 30.3 | Very low | 28.2 | Very low | 105 Ų | 105 | 121 Ų | 121 | 64% | 0.644 | 74% | 0.74 | S | S | * | * | cis | -134.2 | 154 | 28.2 | 47.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 420 | Q | 29.7 | Very low | 28.1 | Very low | 180 Ų | 180 | 121.9 Ų | 121.9 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | trans | 63.9 | 142.8 | 144.1 | -71.3 | 169.4 | 17.4 | 0 | 0 | 119.5 | ||||
| 421 | S | 29 | Very low | 27.9 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | cis | -163.2 | 141.4 | -8.6 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 422 | S | 31.3 | Very low | 27.6 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | 66 | 143.9 | 127.9 | 73.4 | 0 | 0 | 0 | 0 | 121 | |||||
| 423 | T | 28.9 | Very low | 27.6 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | cis | -172.8 | 171.1 | -0.3 | 13.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 424 | V | 31.2 | Very low | 27.6 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 71% | 0.709 | 73% | 0.73 | S | S | * | * | trans | 75.3 | 122.2 | 149.1 | 151.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 425 | N | 25.1 | Very low | 27.6 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | 64.9 | 143.4 | 71.7 | -76.4 | -13.9 | 0 | 0 | 0 | 111.9 | |||||
| 426 | Q | 26.3 | Very low | 27.7 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | -167.7 | 176.7 | 15.7 | -131.2 | 172.3 | -8.9 | 0 | 0 | 111 | ||||
| 427 | I | 26.4 | Very low | 27.9 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 68% | 0.677 | 74% | 0.742 | S | S | * | * | trans | 73.5 | 104.4 | 143.7 | -74.5 | 163.8 | 0 | 0 | 0 | 120.1 | ||||
| 428 | S | 26.8 | Very low | 27.8 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | 78.9 | 142.5 | 126.9 | -59.9 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 429 | S | 24.9 | Very low | 27.8 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 10.8 | 139.1 | 149.4 | 61.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 430 | N | 26.5 | Very low | 27.8 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -156.1 | -175.8 | 34.5 | -133.8 | -22.1 | 0 | 0 | 0 | 112.8 | ||||
| 431 | Q | 26.2 | Very low | 27.7 | Very low | 153 Ų | 153 | 136 Ų | 136 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | trans | -1.5 | 140.8 | 154.3 | -62 | 170.4 | 15.5 | 0 | 0 | 117.3 | ||||
| 432 | Q | 25.1 | Very low | 27.5 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | cis | -172.2 | 175.1 | 36 | -141.3 | 173.4 | 6.9 | 0 | 0 | 112.8 | ||||
| 433 | L | 26.2 | Very low | 27.3 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 78.7 | 150.5 | 152.9 | -76.5 | 156.5 | 0 | 0 | 0 | 122.2 | ||||
| 434 | S | 28.4 | Very low | 27.4 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 63.9 | 96.9 | 172.1 | 50.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 435 | N | 25.5 | Very low | 27.3 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -80.8 | 147.6 | 152.8 | -70.7 | -44.2 | 0 | 0 | 0 | 110.4 | ||||
| 436 | Q | 28.9 | Very low | 27.7 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | 176.8 | 124.5 | 117.1 | -99.2 | 178.6 | 13.5 | 0 | 0 | 112.6 | |||||
| 437 | S | 30.4 | Very low | 28 | Very low | 119 Ų | 119 | 144 Ų | 144 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | -174.1 | 119.1 | 122 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 438 | M | 28.7 | Very low | 28.2 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -142.6 | 124.8 | 165.8 | 178.2 | 178.2 | 172.2 | 0 | 0 | 107.9 | ||||
| 439 | S | 28.1 | Very low | 28.2 | Very low | 87 Ų | 87 | 142.2 Ų | 142.2 | 61% | 0.608 | 82% | 0.824 | S | S | * | * | trans | -83.6 | 158.6 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 440 | N | 30 | Very low | 28.4 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 89.8 | 119.9 | 168.6 | -56.2 | -14.8 | 0 | 0 | 0 | 118.1 | ||
| 441 | M | 27.6 | Very low | 28.6 | Very low | 189 Ų | 189 | 141.9 Ų | 141.9 | 93% | 0.931 | 83% | 0.83 | S | S | * | * | trans | 76.8 | 59.1 | 148.1 | -156.1 | 168.1 | -112.8 | 0 | 0 | 119.3 | ||||
| 442 | L | 25.1 | Very low | 28.8 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | trans | -149.6 | 125.7 | 139.2 | -141.2 | 149.8 | 0 | 0 | 0 | 110.2 | ||||
| 443 | G | 27.8 | Very low | 29.2 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 74% | 0.742 | 84% | 0.84 | S | S | * | * | trans | 177.7 | 59.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 444 | M | 30.7 | Very low | 29.7 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 93% | 0.931 | 83% | 0.831 | S | S | * | * | trans | -162.3 | 52.8 | 154.4 | -116 | 178.3 | 80.1 | 0 | 0 | 113.3 | ||||
| 445 | I | 28.5 | Very low | 29.9 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 82% | 0.815 | 83% | 0.83 | S | S | * | * | trans | -131.8 | 124.4 | 160.5 | -59.7 | -179.6 | 0 | 0 | 0 | 108.9 | ||||
| 446 | K | 32.8 | Very low | 30.6 | Very low | 211 Ų | 211 | 144.6 Ų | 144.6 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | trans | 133.5 | 104.8 | 146.2 | -164.4 | 169 | -171.3 | 176 | 0 | 113.2 | ||||
| 447 | G | 34.3 | Very low | 31.1 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -169.4 | 131.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 448 | G | 30.7 | Very low | 31.3 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 80.8 | 88.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 449 | A | 26.9 | Very low | 31.6 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 94% | 0.942 | 77% | 0.771 | S | S | * | * | trans | -80.9 | 132.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 450 | G | 27.7 | Very low | 31.8 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -172.2 | 122.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 451 | N | 31.3 | Very low | 32.2 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | 74.6 | 81.5 | 175.4 | -60.8 | 2.6 | 0 | 0 | 0 | 117.5 | ||||
| 452 | L | 29.8 | Very low | 32.5 | Very low | 163 Ų | 163 | 125.5 Ų | 125.5 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | -39.7 | 160 | 122.1 | -128.7 | 70.3 | 0 | 0 | 0 | 111.1 | |||||
| 453 | I | 34.4 | Very low | 33.1 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | trans | 81.4 | 71.5 | -174.1 | -43 | 161.1 | 0 | 0 | 0 | 113.6 | ||||
| 454 | R | 35.6 | Very low | 33.9 | Very low | 164 Ų | 164 | 120.9 Ų | 120.9 | 62% | 0.619 | 69% | 0.693 | S | S | * | * | trans | -134.6 | -1.9 | 151.7 | -84.2 | -163.8 | 174.5 | -176 | -1.3 | 115.6 | I456 R457 | R454-I456 PolarHBondContact O-N 2.92Å; R454-R457 PolarHBondContact O-N 3.04Å; R454-R457 VanDerWaalsContact O-N 3.14Å | ||
| 455 | N | 34.1 | Very low | 34.3 | Very low | 145 Ų | 145 | 113.5 Ų | 113.5 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 25.1 | -176.4 | -57.1 | 28.8 | 0 | 0 | 0 | 116.3 | ||
| 456 | I | 39.8 | Very low | 34.9 | Very low | 169 Ų | 169 | 109.5 Ų | 109.5 | 87% | 0.867 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | -8.7 | 175.8 | -70 | 178.9 | 0 | 0 | 0 | 111.1 | R454 | R454-I456 PolarHBondContact O-N 2.92Š|
| 457 | R | 38.4 | Very low | 35.2 | Very low | 78 Ų | 78 | 101.3 Ų | 101.3 | 29% | 0.294 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -102.5 | 0.2 | -177.2 | -156.1 | 148.7 | 171 | -107 | 11.9 | 114.7 | R454 A459 D820 D824 | R454-R457 PolarHBondContact O-N 3.04Å; R454-R457 VanDerWaalsContact O-N 3.14Å; R457-A459 PolarHBondContact O-N 2.59Å; R457-A459 VanDerWaalsContact O-N 3.17Å; R457-D820 IonicContact CZ-OD1 2.82Å; R457-D820 IonicContact NE-OD1 3.18Å; R457-D820 IonicContact NE-OD2 3.14Å; R457-D820 VanDerWaalsContact NH2-CB 3.34Å; R457-D820 VanDerWaalsContact NH2-CG 3.31Å; R457-D820 IonicContact NH2-OD1 2.66Å; R457-D820 PolarHBondContact NH2-OD1 3.25Å; R457-D824 IonicContact CZ-OD1 2.7Å; R457-D824 VanDerWaalsContact CZ-OD1 3.26Å; R457-D824 IonicContact CZ-OD2 3.47Å; R457-D824 IonicContact NH1-OD1 3.74Å; R457-D824 PolarHBondContact NH1-OD1 3.35Å; R457-D824 IonicContact NH1-OD2 2.89Å; R457-D824 PolarHBondContact NH1-OD2 3.29Å; R457-D824 IonicContact NH2-OD1 3.05Å; R457-D824 PolarHBondContact NH2-OD1 3.27Å; R457-D824 IonicContact NH2-OD2 3.96Å |
| 458 | D | 35.5 | Very low | 35.7 | Very low | 86 Ų | 86 | 99.7 Ų | 99.7 | 46% | 0.46 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.9 | -9 | -174.7 | -62.9 | -60.5 | 0 | 0 | 0 | 115.4 | K462 | D458-K462 WeakPolarHBondContact O-CB 3.36Å; D458-K462 VanDerWaalsContact O-CG 3.25Å; D458-K462 WeakPolarHBondContact O-CG 3.2Å; D458-K462 PolarHBondContact O-N 3.18Å |
| 459 | A | 35.1 | Very low | 36.1 | Very low | 80 Ų | 80 | 101 Ų | 101 | 66% | 0.661 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.7 | -47 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R457 | R457-A459 PolarHBondContact O-N 2.59Å; R457-A459 VanDerWaalsContact O-N 3.17Å |
| 460 | S | 32.7 | Very low | 36.9 | Very low | 61 Ų | 61 | 98.7 Ų | 98.7 | 43% | 0.427 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -78.7 | -37.8 | -177.3 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | K462 V463 | S460-K462 VanDerWaalsContact C-N 3.3Å; S460-K462 PolarHBondContact O-N 3.45Å; S460-V463 PolarHBondContact O-N 3.32Å |
| 461 | T | 37.8 | Very low | 37.8 | Very low | 79 Ų | 79 | 96.1 Ų | 96.1 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.4 | -29.8 | -178.5 | -43.9 | 0 | 0 | 0 | 0 | 112.3 | V463 I464 G465 | T461-V463 VanDerWaalsContact C-N 3.27Å; T461-V463 PolarHBondContact O-N 2.69Å; T461-I464 PolarHBondContact O-N 3.11Å; T461-G465 PolarHBondContact O-N 3.34Å |
| 462 | K | 34.8 | Very low | 38.6 | Very low | 146 Ų | 146 | 94.3 Ų | 94.3 | 64% | 0.635 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.5 | -33.4 | 176.5 | -87.7 | 177.4 | 178.6 | -179.8 | 0 | 113.4 | D458 S460 G465 T466 | D458-K462 WeakPolarHBondContact O-CB 3.36Å; D458-K462 VanDerWaalsContact O-CG 3.25Å; D458-K462 WeakPolarHBondContact O-CG 3.2Å; D458-K462 PolarHBondContact O-N 3.18Å; S460-K462 VanDerWaalsContact C-N 3.3Å; S460-K462 PolarHBondContact O-N 3.45Å; K462-G465 PolarHBondContact O-N 3.34Å; K462-T466 VanDerWaalsContact O-CB 3.31Å; K462-T466 WeakPolarHBondContact O-CB 3.12Å; K462-T466 PolarHBondContact O-N 3.24Å; K462-T466 PolarHBondContact O-OG1 2.85Å |
| 463 | V | 36.9 | Very low | 39.7 | Very low | 97 Ų | 97 | 93.4 Ų | 93.4 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -47.3 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | S460 T461 V467 | S460-V463 PolarHBondContact O-N 3.32Å; T461-V463 VanDerWaalsContact C-N 3.27Å; T461-V463 PolarHBondContact O-N 2.69Å; V463-V467 WeakPolarHBondContact O-CB 3.41Å; V463-V467 VanDerWaalsContact O-CG2 3.27Å; V463-V467 WeakPolarHBondContact O-CG2 3.37Å; V463-V467 PolarHBondContact O-N 2.79Å |
| 464 | I | 43.9 | Very low | 41.2 | Very low | 50 Ų | 50 | 91.9 Ų | 91.9 | 26% | 0.256 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 179.2 | -61.3 | 169.4 | 0 | 0 | 0 | 111 | T461 V467 S468 E821 | T461-I464 PolarHBondContact O-N 3.11Å; I464-V467 PolarHBondContact O-N 3.22Å; I464-S468 PolarHBondContact O-N 3.39Å; I464-S468 VanDerWaalsContact O-N 3.14Å; I464-E821 HydrophobicContact CD1-CG 4.5Å |
| 465 | G | 39.1 | Very low | 43.2 | Very low | 35 Ų | 35 | 85 Ų | 85 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -52.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T461 K462 V467 S468 T469 | T461-G465 PolarHBondContact O-N 3.34Å; K462-G465 PolarHBondContact O-N 3.34Å; G465-V467 VanDerWaalsContact C-N 3.33Å; G465-V467 PolarHBondContact O-N 3.3Å; G465-S468 PolarHBondContact O-N 2.96Å; G465-S468 VanDerWaalsContact O-N 3.12Å; G465-T469 PolarHBondContact O-N 3.4Å; G465-T469 VanDerWaalsContact O-N 3.12Å; G465-T469 PolarHBondContact O-OG1 2.96Å; G465-T469 VanDerWaalsContact O-OG1 3.13Å |
| 466 | T | 40.6 | Very low | 45.7 | Very low | 74 Ų | 74 | 80.9 Ų | 80.9 | 45% | 0.454 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 177.1 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | K462 S468 T469 T470 | K462-T466 VanDerWaalsContact O-CB 3.31Å; K462-T466 WeakPolarHBondContact O-CB 3.12Å; K462-T466 PolarHBondContact O-N 3.24Å; K462-T466 PolarHBondContact O-OG1 2.85Å; T466-S468 VanDerWaalsContact C-N 3.28Å; T466-S468 PolarHBondContact O-N 3.01Å; T466-T469 PolarHBondContact O-N 3.24Å; T466-T470 HydrophobicContact CG2-CG2 3.7Å; T466-T470 WeakPolarHBondContact O-CB 3.42Å; T466-T470 WeakPolarHBondContact O-CG2 3.28Å; T466-T470 PolarHBondContact O-N 3.2Å; T466-T470 PolarHBondContact O-OG1 2.94Å |
| 467 | V | 39.6 | Very low | 48.1 | Very low | 39 Ų | 39 | 73.3 Ų | 73.3 | 24% | 0.236 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.7 | -35.4 | 175.1 | 164.6 | 0 | 0 | 0 | 0 | 112 | V463 I464 G465 L471 F479 F515 | V463-V467 WeakPolarHBondContact O-CB 3.41Å; V463-V467 VanDerWaalsContact O-CG2 3.27Å; V463-V467 WeakPolarHBondContact O-CG2 3.37Å; V463-V467 PolarHBondContact O-N 2.79Å; I464-V467 PolarHBondContact O-N 3.22Å; G465-V467 VanDerWaalsContact C-N 3.33Å; G465-V467 PolarHBondContact O-N 3.3Å; V467-L471 WeakPolarHBondContact O-CD2 3.43Å; V467-L471 WeakPolarHBondContact O-CG 3.23Å; V467-F479 HydrophobicContact CG1-CD2 3.94Å; V467-F479 HydrophobicContact CG1-CE2 3.41Å; V467-F479 VanDerWaalsContact CG1-CE2 3.41Å; V467-F479 HydrophobicContact CG1-CZ 4.01Å; V467-F515 HydrophobicContact CG1-CZ 4.42Å |
| 468 | S | 44.3 | Very low | 50.7 | Low | 44 Ų | 44 | 71.9 Ų | 71.9 | 31% | 0.308 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -83.3 | -14.5 | 178.2 | -158.8 | 0 | 0 | 0 | 0 | 114.7 | I464 G465 T466 | I464-S468 PolarHBondContact O-N 3.39Å; I464-S468 VanDerWaalsContact O-N 3.14Å; G465-S468 PolarHBondContact O-N 2.96Å; G465-S468 VanDerWaalsContact O-N 3.12Å; T466-S468 VanDerWaalsContact C-N 3.28Å; T466-S468 PolarHBondContact O-N 3.01Å |
| 469 | T | 41.1 | Very low | 53.6 | Low | 112 Ų | 112 | 68.3 Ų | 68.3 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -112.3 | -3.1 | -179.1 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | G465 T466 | G465-T469 PolarHBondContact O-N 3.4Å; G465-T469 VanDerWaalsContact O-N 3.12Å; G465-T469 PolarHBondContact O-OG1 2.96Å; G465-T469 VanDerWaalsContact O-OG1 3.13Å; T466-T469 PolarHBondContact O-N 3.24Å |
| 470 | T | 42 | Very low | 56.5 | Low | 64 Ų | 64 | 64.7 Ų | 64.7 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -107.7 | 4.9 | 174.4 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | T466 R514 | T466-T470 HydrophobicContact CG2-CG2 3.7Å; T466-T470 WeakPolarHBondContact O-CB 3.42Å; T466-T470 WeakPolarHBondContact O-CG2 3.28Å; T466-T470 PolarHBondContact O-N 3.2Å; T466-T470 PolarHBondContact O-OG1 2.94Å; T470-R514 PolarHBondContact O-NH2 3.37Å; T470-R514 PolarHBondContact OG1-NH1 3.42Å |
| 471 | L | 47.5 | Very low | 59.5 | Low | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.089 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -62.2 | 139.8 | 164.3 | -49 | 176 | 0 | 0 | 0 | 107.4 | V467 T473 F477 M510 | V467-L471 WeakPolarHBondContact O-CD2 3.43Å; V467-L471 WeakPolarHBondContact O-CG 3.23Å; L471-T473 PolarHBondContact O-N 3.37Å; L471-F477 HydrophobicContact CD1-CB 4.29Å; L471-F477 HydrophobicContact CD1-CD1 4.09Å; L471-F477 WeakPolarHBondContact CD1-O 3.47Å; L471-M510 HydrophobicContact CD2-CG 4.41Å; L471-M510 HydrophobicContact CD2-SD 3.76Å |
| 472 | N | 48 | Very low | 62.3 | Low | 122 Ų | 122 | 58.9 Ų | 58.9 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | trans | -54.1 | 130.6 | 171.7 | -82 | 7.3 | 0 | 0 | 0 | 107.9 | E474 L475 | N472-E474 PolarHBondContact O-N 3.2Å; N472-L475 PolarHBondContact O-N 3.08Å | ||
| 473 | T | 51.9 | Low | 65.3 | Low | 143 Ų | 143 | 52.3 Ų | 52.3 | 88% | 0.877 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 18.8 | -161.9 | 45.4 | 0 | 0 | 0 | 0 | 115.5 | L471 | L471-T473 PolarHBondContact O-N 3.37Š|
| 474 | E | 66.6 | Low | 68.2 | Low | 125 Ų | 125 | 47.7 Ų | 47.7 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -41.2 | -174.2 | -64.7 | -173.6 | -175.6 | 0 | 0 | 110.2 | N472 D476 V501 | N472-E474 PolarHBondContact O-N 3.2Å; E474-D476 PolarHBondContact O-N 2.9Å; E474-V501 CarbonylContact C-O 3.56Å; E474-V501 HydrophobicContact CB-CG1 3.67Å; E474-V501 HydrophobicContact CG-CG1 4.46Å; E474-V501 WeakPolarHBondContact O-CB 3.31Å; E474-V501 WeakPolarHBondContact O-CG1 3.32Å |
| 475 | L | 77.3 | Confident | 70.7 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -68.9 | 123.2 | -178.7 | -65.9 | -178.8 | 0 | 0 | 0 | 113.3 | N472 F477 V501 E506 M510 | N472-L475 PolarHBondContact O-N 3.08Å; L475-F477 VanDerWaalsContact C-N 3.31Å; L475-F477 PolarHBondContact O-N 2.95Å; L475-V501 WeakPolarHBondContact CA-O 3.41Å; L475-E506 HydrophobicContact CD1-CB 4.02Å; L475-E506 HydrophobicContact CD2-CB 4.07Å; L475-E506 HydrophobicContact CG-CB 4.44Å; L475-M510 HydrophobicContact CD1-CB 4.4Å; L475-M510 HydrophobicContact CD1-SD 3.9Å |
| 476 | D | 87.1 | Confident | 73.5 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 32% | 0.316 | 25% | 0.247 | S | C | . | . | trans | -74 | 76.9 | 173.6 | 171.2 | 34.8 | 0 | 0 | 0 | 111.9 | E474 T487 S488 R613 | E474-D476 PolarHBondContact O-N 2.9Å; D476-T487 VanDerWaalsContact O-CA 3.27Å; D476-T487 WeakPolarHBondContact O-CA 3.22Å; D476-T487 WeakPolarHBondContact O-CB 3.26Å; D476-T487 PolarHBondContact O-OG1 3.34Å; D476-S488 WeakPolarHBondContact OD2-CB 3.1Å; D476-S488 PolarHBondContact OD2-N 3.1Å; D476-S488 PolarHBondContact OD2-OG 3.08Å; D476-R613 IonicContact OD1-CZ 3.43Å; D476-R613 VanDerWaalsContact OD1-CZ 3.28Å; D476-R613 IonicContact OD1-NH1 3.56Å; D476-R613 PolarHBondContact OD1-NH1 2.86Å; D476-R613 IonicContact OD1-NH2 4Å; D476-R613 PolarHBondContact OD1-NH2 3.47Å; D476-R613 IonicContact OD2-CZ 3.86Å; D476-R613 IonicContact OD2-NH1 3.16Å; D476-R613 IonicContact OD2-NH2 2.72Å; D476-R613 PolarHBondContact OD2-NH2 3.5Å | ||
| 477 | F | 90.5 | Very high | 76 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 4% | 0.044 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 120.6 | -176.9 | -168.7 | -81.3 | 0 | 0 | 0 | 111.3 | L471 L475 F479 A485 T487 M507 M510 L511 V575 | L471-F477 HydrophobicContact CD1-CB 4.29Å; L471-F477 HydrophobicContact CD1-CD1 4.09Å; L471-F477 WeakPolarHBondContact CD1-O 3.47Å; L475-F477 VanDerWaalsContact C-N 3.31Å; L475-F477 PolarHBondContact O-N 2.95Å; F477-F479 HydrophobicContact CD1-CE2 4.24Å; F477-F479 HydrophobicContact CE1-CD2 4.3Å; F477-F479 HydrophobicContact CE1-CE1 4.5Å; F477-F479 AromaticContact CE1-CE2 3.66Å; F477-F479 HydrophobicContact CE1-CE2 3.66Å; F477-F479 AromaticContact CE1-CZ 3.77Å; F477-F479 HydrophobicContact CE1-CZ 3.77Å; F477-A485 HydrophobicContact CD1-CB 4.47Å; F477-A485 HydrophobicContact CE1-CB 3.54Å; F477-A485 HydrophobicContact CE2-CB 4.26Å; F477-A485 HydrophobicContact CZ-CB 3.41Å; F477-A485 VanDerWaalsContact CZ-CB 3.41Å; F477-T487 HydrophobicContact CD2-CG2 4.19Å; F477-M507 HydrophobicContact CD2-CG 4.48Å; F477-M510 HydrophobicContact CB-CE 4.41Å; F477-M510 HydrophobicContact CD1-CE 4.09Å; F477-M510 HydrophobicContact CD2-CE 3.62Å; F477-M510 HydrophobicContact CE1-CE 4.22Å; F477-M510 HydrophobicContact CE2-CE 3.74Å; F477-M510 HydrophobicContact CG-CE 3.8Å; F477-M510 HydrophobicContact CZ-CE 4.05Å; F477-L511 HydrophobicContact CE2-CD2 3.98Å; F477-L511 HydrophobicContact CZ-CD2 3.76Å; F477-V575 HydrophobicContact CE2-CG1 3.67Å; F477-V575 HydrophobicContact CE2-CG2 4.17Å; F477-V575 HydrophobicContact CZ-CG1 4.28Å; F477-V575 HydrophobicContact CZ-CG2 4.05Å |
| 478 | Q | 92.9 | Very high | 78.4 | Confident | 48 Ų | 48 | 38.9 Ų | 38.9 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 125.6 | -171.8 | -178.7 | 58.5 | 65.8 | 0 | 0 | 112.5 | V486 K612 R613 | Q478-V486 PolarHBondContact N-O 3.42Å; Q478-V486 PolarHBondContact O-N 3.17Å; Q478-K612 HydrophobicContact CG-CB 4.41Å; Q478-K612 WeakPolarHBondContact CG-O 3.11Å; Q478-R613 HydrophobicContact CG-CB 4.33Å |
| 479 | F | 95.6 | Very high | 80.6 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.8 | 168.6 | -72.6 | -84.7 | 0 | 0 | 0 | 111.1 | V467 F477 T481 A485 F515 I573 | V467-F479 HydrophobicContact CG1-CD2 3.94Å; V467-F479 HydrophobicContact CG1-CE2 3.41Å; V467-F479 VanDerWaalsContact CG1-CE2 3.41Å; V467-F479 HydrophobicContact CG1-CZ 4.01Å; F477-F479 HydrophobicContact CD1-CE2 4.24Å; F477-F479 HydrophobicContact CE1-CD2 4.3Å; F477-F479 HydrophobicContact CE1-CE1 4.5Å; F477-F479 AromaticContact CE1-CE2 3.66Å; F477-F479 HydrophobicContact CE1-CE2 3.66Å; F477-F479 AromaticContact CE1-CZ 3.77Å; F477-F479 HydrophobicContact CE1-CZ 3.77Å; F479-T481 WeakPolarHBondContact CD1-O 3.39Å; F479-A485 HydrophobicContact CD1-CB 3.89Å; F479-A485 HydrophobicContact CE1-CB 3.84Å; F479-A485 HydrophobicContact CG-CB 4.44Å; F479-A485 HydrophobicContact CZ-CB 4.32Å; F479-F515 HydrophobicContact CE1-CZ 4.32Å; F479-F515 HydrophobicContact CE2-CZ 4.4Å; F479-F515 HydrophobicContact CZ-CE1 4.49Å; F479-F515 AromaticContact CZ-CE2 3.86Å; F479-F515 HydrophobicContact CZ-CE2 3.86Å; F479-F515 AromaticContact CZ-CZ 3.56Å; F479-F515 HydrophobicContact CZ-CZ 3.56Å; F479-I573 HydrophobicContact CE1-CD1 4.11Å; F479-I573 HydrophobicContact CZ-CD1 4.25Å |
| 480 | I | 96.6 | Very high | 82.9 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -46.5 | 170.4 | -52.8 | -58 | 0 | 0 | 0 | 109 | I484 V486 L608 F609 K612 R613 | I480-I484 PolarHBondContact N-O 2.9Å; I480-V486 HydrophobicContact CD1-CB 4.45Å; I480-V486 HydrophobicContact CD1-CG2 4.14Å; I480-V486 HydrophobicContact CG1-CB 4.27Å; I480-V486 HydrophobicContact CG1-CG2 3.53Å; I480-L608 HydrophobicContact CG2-CD2 4.47Å; I480-L608 HydrophobicContact CG2-CG 4.17Å; I480-F609 HydrophobicContact CD1-CD2 3.88Å; I480-F609 HydrophobicContact CD1-CE2 4.07Å; I480-F609 HydrophobicContact CD1-CG 4.24Å; I480-F609 HydrophobicContact CG1-CD2 4.09Å; I480-F609 HydrophobicContact CG1-CE2 4.3Å; I480-K612 HydrophobicContact CD1-CB 3.81Å; I480-R613 HydrophobicContact CD1-CB 4.02Å |
| 481 | T | 96.8 | Very high | 84.8 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 168.3 | 160.4 | 68.4 | 0 | 0 | 0 | 0 | 108.3 | F479 R483 I484 L593 L608 C815 I825 | F479-T481 WeakPolarHBondContact CD1-O 3.39Å; T481-R483 PolarHBondContact O-N 3.37Å; T481-R483 PolarHBondContact OG1-N 2.88Å; T481-I484 PolarHBondContact N-O 3.15Å; T481-I484 PolarHBondContact O-N 3.05Å; T481-I484 VanDerWaalsContact O-N 3.17Å; T481-I484 VanDerWaalsContact O-O 3.14Å; T481-I484 WeakPolarHBondContact OG1-CB 3.38Å; T481-I484 PolarHBondContact OG1-N 2.79Å; T481-L593 HydrophobicContact CG2-CD2 4.04Å; T481-L608 HydrophobicContact CG2-CD2 4.21Å; T481-C815 WeakPolarHBondContact CB-O 3.28Å; T481-C815 PolarHBondContact OG1-O 3.13Å; T481-I825 HydrophobicContact CG2-CD1 3.9Å |
| 482 | S | 95.9 | Very high | 86.1 | Confident | 13 Ų | 13 | 31 Ų | 31 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -15.6 | 177.5 | 59.9 | 0 | 0 | 0 | 0 | 115.3 | S817 E821 | S482-S817 WeakPolarHBondContact OG-CB 3.35Å; S482-S817 PolarHBondContact OG-N 3.17Å; S482-S817 PolarHBondContact OG-OG 2.89Å; S482-E821 WeakPolarHBondContact CB-OE1 3.38Å; S482-E821 VanDerWaalsContact CB-OE2 3.29Å; S482-E821 WeakPolarHBondContact CB-OE2 3.42Å; S482-E821 PolarHBondContact N-OE1 2.87Å; S482-E821 VanDerWaalsContact OG-CD 3.23Å; S482-E821 PolarHBondContact OG-OE1 3.49Å; S482-E821 PolarHBondContact OG-OE2 3.37Å |
| 483 | R | 97.6 | Very high | 86.8 | Confident | 9 Ų | 9 | 29 Ų | 29 | 3% | 0.034 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -2.8 | 179 | -55.8 | -171.3 | 66.1 | -167.9 | 0.9 | 114.8 | T481 L566 K569 S570 N572 I573 C574 L814 V816 S817 | T481-R483 PolarHBondContact O-N 3.37Å; T481-R483 PolarHBondContact OG1-N 2.88Å; R483-L566 HydrophobicContact CB-CD2 4.04Å; R483-L566 PolarHBondContact NH1-O 2.91Å; R483-L566 PolarHBondContact NH2-O 3.06Å; R483-K569 PolarHBondContact NH2-O 3.42Å; R483-S570 PolarHBondContact NE-O 2.76Å; R483-N572 VanDerWaalsContact CZ-O 3.25Å; R483-N572 PolarHBondContact NE-O 3.15Å; R483-N572 PolarHBondContact NH2-O 3.11Å; R483-I573 WeakPolarHBondContact O-CA 3.45Å; R483-C574 PolarHBondContact O-N 3.24Å; R483-L814 PolarHBondContact NH1-O 3.03Å; R483-V816 WeakPolarHBondContact CD-O 3.11Å; R483-S817 VanDerWaalsContact CG-OG 3.23Å; R483-S817 WeakPolarHBondContact CG-OG 3.47Å |
| 484 | I | 98 | Very high | 86.9 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 100.8 | 177 | -57 | 173.1 | 0 | 0 | 0 | 108.3 | I480 T481 I576 A589 L592 L593 C815 | I480-I484 PolarHBondContact N-O 2.9Å; T481-I484 PolarHBondContact N-O 3.15Å; T481-I484 PolarHBondContact O-N 3.05Å; T481-I484 VanDerWaalsContact O-N 3.17Å; T481-I484 VanDerWaalsContact O-O 3.14Å; T481-I484 WeakPolarHBondContact OG1-CB 3.38Å; T481-I484 PolarHBondContact OG1-N 2.79Å; I484-I576 HydrophobicContact CG2-CD1 3.94Å; I484-A589 HydrophobicContact CG2-CB 4.28Å; I484-L592 HydrophobicContact CD1-CD2 3.88Å; I484-L592 HydrophobicContact CD1-CG 4.25Å; I484-L592 HydrophobicContact CG1-CD2 4.28Å; I484-L593 HydrophobicContact CD1-CD2 4Å; I484-L593 HydrophobicContact CD1-CG 4.26Å; I484-C815 HydrophobicContact CD1-CB 4.01Å |
| 485 | A | 97 | Very high | 85.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 151.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F477 F479 C574 V575 I576 | F477-A485 HydrophobicContact CD1-CB 4.47Å; F477-A485 HydrophobicContact CE1-CB 3.54Å; F477-A485 HydrophobicContact CE2-CB 4.26Å; F477-A485 HydrophobicContact CZ-CB 3.41Å; F477-A485 VanDerWaalsContact CZ-CB 3.41Å; F479-A485 HydrophobicContact CD1-CB 3.89Å; F479-A485 HydrophobicContact CE1-CB 3.84Å; F479-A485 HydrophobicContact CG-CB 4.44Å; F479-A485 HydrophobicContact CZ-CB 4.32Å; A485-C574 PolarHBondContact N-O 3.48Å; A485-V575 HydrophobicContact CB-CG2 4.41Å; A485-I576 PolarHBondContact O-N 3.13Å |
| 486 | V | 96.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.5 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | Q478 I480 I576 G581 F609 R613 | Q478-V486 PolarHBondContact N-O 3.42Å; Q478-V486 PolarHBondContact O-N 3.17Å; I480-V486 HydrophobicContact CD1-CB 4.45Å; I480-V486 HydrophobicContact CD1-CG2 4.14Å; I480-V486 HydrophobicContact CG1-CB 4.27Å; I480-V486 HydrophobicContact CG1-CG2 3.53Å; V486-I576 VanDerWaalsContact CA-O 3.27Å; V486-I576 WeakPolarHBondContact CA-O 3.36Å; V486-I576 HydrophobicContact CG2-CB 4.4Å; V486-G581 VanDerWaalsContact CG1-O 3.24Å; V486-G581 WeakPolarHBondContact CG1-O 3.13Å; V486-F609 HydrophobicContact CG1-CE2 4.3Å; V486-F609 HydrophobicContact CG1-CZ 4.19Å; V486-F609 HydrophobicContact CG2-CE2 3.92Å; V486-R613 PolarHBondContact O-NH1 3.43Å |
| 487 | T | 93.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 163.5 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | D476 F477 N502 M507 V575 I576 H577 G581 | D476-T487 VanDerWaalsContact O-CA 3.27Å; D476-T487 WeakPolarHBondContact O-CA 3.22Å; D476-T487 WeakPolarHBondContact O-CB 3.26Å; D476-T487 PolarHBondContact O-OG1 3.34Å; F477-T487 HydrophobicContact CD2-CG2 4.19Å; T487-N502 PolarHBondContact OG1-ND2 3.31Å; T487-M507 HydrophobicContact CG2-CE 3.68Å; T487-M507 HydrophobicContact CG2-SD 3.91Å; T487-M507 WeakPolarHBondContact OG1-CE 3.44Å; T487-V575 HydrophobicContact CG2-CG1 3.94Å; T487-I576 PolarHBondContact N-O 3.15Å; T487-H577 HydrophobicContact CG2-CB 3.78Å; T487-H577 WeakPolarHBondContact O-CA 3.46Å; T487-H577 WeakPolarHBondContact O-CB 3.3Å; T487-G581 WeakPolarHBondContact O-CA 3.19Å |
| 488 | S | 90.9 | Very high | 80.7 | Confident | 12 Ų | 12 | 32.1 Ų | 32.1 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | trans | -76.5 | -176.1 | 166.3 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | D476 P490 N502 C578 | D476-S488 WeakPolarHBondContact OD2-CB 3.1Å; D476-S488 PolarHBondContact OD2-N 3.1Å; D476-S488 PolarHBondContact OD2-OG 3.08Å; S488-P490 VanDerWaalsContact O-CD 3.29Å; S488-P490 WeakPolarHBondContact O-CD 3.3Å; S488-N502 PolarHBondContact O-ND2 2.88Å; S488-N502 VanDerWaalsContact O-ND2 3.12Å; S488-N502 PolarHBondContact OG-ND2 2.75Å; S488-C578 CarbonylContact C-O 3.49Å | ||
| 489 | F | 90.2 | Very high | 78.5 | Confident | 24 Ų | 24 | 33.5 Ų | 33.5 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -67 | 120.4 | -175.3 | -173.7 | -98.6 | 0 | 0 | 0 | 111.9 | I491 S525 R527 Y529 H577 C578 | F489-I491 HydrophobicContact CD1-CG1 4.23Å; F489-I491 PolarHBondContact O-N 3.06Å; F489-S525 WeakPolarHBondContact CD2-OG 3.34Å; F489-S525 WeakPolarHBondContact CE2-OG 3.27Å; F489-R527 HydrophobicContact CE2-CB 3.82Å; F489-R527 VanDerWaalsContact CE2-O 3.26Å; F489-R527 WeakPolarHBondContact CE2-O 3.31Å; F489-R527 HydrophobicContact CZ-CB 3.71Å; F489-Y529 AromaticContact CE2-CD1 3.95Å; F489-Y529 HydrophobicContact CE2-CD1 3.95Å; F489-Y529 HydrophobicContact CE2-CE1 4.16Å; F489-Y529 AromaticContact CZ-CD1 3.8Å; F489-Y529 HydrophobicContact CZ-CD1 3.8Å; F489-Y529 HydrophobicContact CZ-CE1 4.42Å; F489-H577 AromaticContact CD2-CE1 3.65Å; F489-H577 AromaticContact CD2-ND1 3.76Å; F489-H577 AromaticContact CE2-CE1 3.98Å; F489-C578 PolarHBondContact N-O 2.86Å; F489-C578 VanDerWaalsContact N-O 3.17Å |
| 490 | P | 88.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 127.6 | 172.6 | -7 | 19.9 | 0 | 0 | 0 | 110.3 | S488 N502 I504 M507 Y529 F535 | S488-P490 VanDerWaalsContact O-CD 3.29Å; S488-P490 WeakPolarHBondContact O-CD 3.3Å; P490-N502 WeakPolarHBondContact CA-O 3.42Å; P490-I504 HydrophobicContact CB-CB 3.94Å; P490-I504 HydrophobicContact CB-CD1 4.12Å; P490-I504 HydrophobicContact CB-CG1 3.8Å; P490-M507 HydrophobicContact CB-CE 3.86Å; P490-M507 HydrophobicContact CB-SD 4.13Å; P490-M507 HydrophobicContact CG-CE 3.7Å; P490-M507 HydrophobicContact CG-SD 3.73Å; P490-Y529 HydrophobicContact CB-CE1 4.41Å; P490-Y529 HydrophobicContact CG-CE1 3.94Å; P490-F535 HydrophobicContact CB-CZ 4.39Å; P490-F535 HydrophobicContact CG-CE2 4.43Å; P490-F535 HydrophobicContact CG-CZ 4.29Å |
| 491 | I | 81.4 | Confident | 74.7 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -97.4 | 128.2 | -174.2 | -58.2 | 177.7 | 0 | 0 | 0 | 110.7 | F489 E496 V497 N500 N502 I504 | F489-I491 HydrophobicContact CD1-CG1 4.23Å; F489-I491 PolarHBondContact O-N 3.06Å; I491-E496 HydrophobicContact CD1-CB 4.08Å; I491-E496 WeakPolarHBondContact CD1-O 3.36Å; I491-E496 HydrophobicContact CG2-CB 4.12Å; I491-V497 HydrophobicContact CB-CG2 3.97Å; I491-V497 HydrophobicContact CG2-CG2 3.47Å; I491-V497 VanDerWaalsContact CG2-CG2 3.47Å; I491-N500 HydrophobicContact CD1-CB 3.47Å; I491-N500 VanDerWaalsContact CD1-CB 3.47Å; I491-N502 PolarHBondContact N-O 2.92Å; I491-I504 WeakPolarHBondContact O-CB 3.36Å; I491-I504 WeakPolarHBondContact O-CG2 3.45Å; I491-I504 PolarHBondContact O-N 3.03Å |
| 492 | E | 74.9 | Confident | 73.8 | Confident | 42 Ų | 42 | 41.2 Ų | 41.2 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | trans | -77.2 | -31.6 | -171 | -176.4 | 161 | -160.9 | 0 | 0 | 114.5 | Y529 R530 W534 | E492-Y529 WeakPolarHBondContact OE2-CB 3.41Å; E492-R530 WeakPolarHBondContact OE1-CB 3.11Å; E492-R530 VanDerWaalsContact OE1-CD 3.31Å; E492-R530 WeakPolarHBondContact OE1-CD 3.29Å; E492-R530 WeakPolarHBondContact OE1-CG 3.28Å; E492-W534 VanDerWaalsContact CD-NE1 3.3Å; E492-W534 HydrophobicContact CG-CZ2 4.17Å; E492-W534 PolarHBondContact OE1-NE1 2.78Å | ||
| 493 | S | 63.5 | Low | 73.2 | Confident | 80 Ų | 80 | 41.4 Ų | 41.4 | 56% | 0.559 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 172 | 163.7 | 165.8 | 40.1 | 0 | 0 | 0 | 0 | 112 | ||
| 494 | G | 53.9 | Low | 72.8 | Confident | 50 Ų | 50 | 41 Ų | 41 | 52% | 0.515 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 100.9 | -169.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E496 V497 | G494-E496 PolarHBondContact O-N 2.78Å; G494-V497 WeakPolarHBondContact O-CB 3.39Å; G494-V497 WeakPolarHBondContact O-CG2 3.4Å; G494-V497 PolarHBondContact O-N 3.44Å |
| 495 | F | 44.7 | Very low | 72.2 | Confident | 132 Ų | 132 | 46.8 Ų | 46.8 | 58% | 0.579 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.3 | -171.1 | -167.8 | -87.4 | 0 | 0 | 0 | 114.6 | V497 L498 D1457 | F495-V497 PolarHBondContact O-N 2.94Å; F495-L498 HydrophobicContact CD2-CD1 4.32Å; F495-L498 PolarHBondContact O-N 3.12Å; F495-D1457 VanDerWaalsContact CD2-OD2 3.28Å; F495-D1457 WeakPolarHBondContact CD2-OD2 3.26Å; F495-D1457 VanDerWaalsContact CE2-OD2 3.25Å; F495-D1457 WeakPolarHBondContact CE2-OD2 3.2Å |
| 496 | E | 50.2 | Low | 71.8 | Confident | 89 Ų | 89 | 50.8 Ų | 50.8 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.7 | 174.2 | -66.6 | -173.5 | 155.8 | 0 | 0 | 112.6 | I491 G494 A499 N500 R527 | I491-E496 HydrophobicContact CD1-CB 4.08Å; I491-E496 WeakPolarHBondContact CD1-O 3.36Å; I491-E496 HydrophobicContact CG2-CB 4.12Å; G494-E496 PolarHBondContact O-N 2.78Å; E496-A499 PolarHBondContact O-N 3.45Å; E496-N500 PolarHBondContact O-N 3.34Å; E496-N500 VanDerWaalsContact O-N 3.16Å; E496-R527 VanDerWaalsContact CD-NH1 3.3Å; E496-R527 IonicContact OE1-CZ 3.94Å; E496-R527 IonicContact OE1-NH1 3.01Å; E496-R527 PolarHBondContact OE1-NH1 2.86Å; E496-R527 IonicContact OE1-NH2 3.27Å; E496-R527 PolarHBondContact OE1-NH2 2.86Å; E496-R527 IonicContact OE2-CZ 3.8Å; E496-R527 IonicContact OE2-NH1 2.67Å; E496-R527 PolarHBondContact OE2-NH1 2.79Å; E496-R527 IonicContact OE2-NH2 2.78Å |
| 497 | V | 52.2 | Low | 71.5 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 31% | 0.309 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -67.5 | -36.9 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | I491 G494 F495 A499 N500 | I491-V497 HydrophobicContact CB-CG2 3.97Å; I491-V497 HydrophobicContact CG2-CG2 3.47Å; I491-V497 VanDerWaalsContact CG2-CG2 3.47Å; G494-V497 WeakPolarHBondContact O-CB 3.39Å; G494-V497 WeakPolarHBondContact O-CG2 3.4Å; G494-V497 PolarHBondContact O-N 3.44Å; F495-V497 PolarHBondContact O-N 2.94Å; V497-A499 PolarHBondContact O-N 3.06Å; V497-N500 CarbonylContact O-C 3.45Å; V497-N500 PolarHBondContact O-N 3.03Å |
| 498 | L | 43.3 | Very low | 71.4 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -69.3 | -14.1 | 178.6 | -69.3 | 158.4 | 0 | 0 | 0 | 113 | F495 V1453 | F495-L498 HydrophobicContact CD2-CD1 4.32Å; F495-L498 PolarHBondContact O-N 3.12Å; L498-V1453 HydrophobicContact CD1-CB 4.37Å; L498-V1453 HydrophobicContact CD1-CG1 3.64Å; L498-V1453 HydrophobicContact CD1-CG2 3.73Å; L498-V1453 HydrophobicContact CD2-CG2 4.01Å |
| 499 | A | 48 | Very low | 71.3 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 63% | 0.628 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -110.6 | -5.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E496 V497 | E496-A499 PolarHBondContact O-N 3.45Å; V497-A499 PolarHBondContact O-N 3.06Å |
| 500 | N | 51.2 | Low | 71.4 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 48% | 0.476 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -148.6 | 121 | -177.8 | -110.4 | -19.3 | 0 | 0 | 0 | 110.7 | I491 E496 V497 N502 | I491-N500 HydrophobicContact CD1-CB 3.47Å; I491-N500 VanDerWaalsContact CD1-CB 3.47Å; E496-N500 PolarHBondContact O-N 3.34Å; E496-N500 VanDerWaalsContact O-N 3.16Å; V497-N500 CarbonylContact O-C 3.45Å; V497-N500 PolarHBondContact O-N 3.03Å; N500-N502 PolarHBondContact O-N 2.72Å |
| 501 | V | 61 | Low | 71.7 | Confident | 92 Ų | 92 | 56.3 Ų | 56.3 | 56% | 0.558 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -80.4 | 41 | -162 | -147.8 | 0 | 0 | 0 | 0 | 113.9 | E474 L475 | E474-V501 CarbonylContact C-O 3.56Å; E474-V501 HydrophobicContact CB-CG1 3.67Å; E474-V501 HydrophobicContact CG-CG1 4.46Å; E474-V501 WeakPolarHBondContact O-CB 3.31Å; E474-V501 WeakPolarHBondContact O-CG1 3.32Å; L475-V501 WeakPolarHBondContact CA-O 3.41Å |
| 502 | N | 76.9 | Confident | 72.2 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.011 | 32% | 0.324 | C | S | . | . | trans | -142.2 | 73.4 | -168.3 | -150 | 16.2 | 0 | 0 | 0 | 112.2 | T487 S488 P490 I491 N500 M507 | T487-N502 PolarHBondContact OG1-ND2 3.31Å; S488-N502 PolarHBondContact O-ND2 2.88Å; S488-N502 VanDerWaalsContact O-ND2 3.12Å; S488-N502 PolarHBondContact OG-ND2 2.75Å; P490-N502 WeakPolarHBondContact CA-O 3.42Å; I491-N502 PolarHBondContact N-O 2.92Å; N500-N502 PolarHBondContact O-N 2.72Å; N502-M507 WeakPolarHBondContact ND2-CE 3.4Å; N502-M507 WeakPolarHBondContact OD1-CE 3.44Å | ||
| 503 | S | 84 | Confident | 73 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 12% | 0.119 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -66.2 | 135.7 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | E505 E506 M507 | S503-E505 VanDerWaalsContact C-N 3.31Å; S503-E505 PolarHBondContact O-N 3.29Å; S503-E505 PolarHBondContact OG-N 3.03Å; S503-E506 VanDerWaalsContact CB-OE2 3.31Å; S503-E506 WeakPolarHBondContact CB-OE2 3.27Å; S503-M507 WeakPolarHBondContact O-CB 3.31Å; S503-M507 PolarHBondContact O-N 3.06Å; S503-M507 VanDerWaalsContact O-N 3.08Å |
| 504 | I | 88.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.8 | -35.4 | 175 | -158.9 | 159 | 0 | 0 | 0 | 111.9 | P490 I491 Q508 Y529 W534 F535 | P490-I504 HydrophobicContact CB-CB 3.94Å; P490-I504 HydrophobicContact CB-CD1 4.12Å; P490-I504 HydrophobicContact CB-CG1 3.8Å; I491-I504 WeakPolarHBondContact O-CB 3.36Å; I491-I504 WeakPolarHBondContact O-CG2 3.45Å; I491-I504 PolarHBondContact O-N 3.03Å; I504-Q508 WeakPolarHBondContact O-CB 3.35Å; I504-Q508 PolarHBondContact O-N 3.27Å; I504-Y529 HydrophobicContact CD1-CD1 3.86Å; I504-Y529 HydrophobicContact CD1-CD2 4.12Å; I504-Y529 HydrophobicContact CD1-CE1 4.11Å; I504-Y529 HydrophobicContact CD1-CE2 4.37Å; I504-Y529 HydrophobicContact CD1-CG 3.85Å; I504-W534 HydrophobicContact CD1-CB 3.85Å; I504-W534 HydrophobicContact CD1-CD2 3.87Å; I504-W534 HydrophobicContact CD1-CG 3.49Å; I504-W534 VanDerWaalsContact CD1-CG 3.49Å; I504-W534 HydrophobicContact CG1-CB 4.27Å; I504-W534 HydrophobicContact CG1-CD2 3.94Å; I504-W534 HydrophobicContact CG1-CE3 4.11Å; I504-W534 HydrophobicContact CG1-CG 3.99Å; I504-W534 HydrophobicContact CG2-CD2 3.78Å; I504-W534 HydrophobicContact CG2-CE3 3.79Å; I504-W534 HydrophobicContact CG2-CH2 3.73Å; I504-W534 HydrophobicContact CG2-CZ2 3.71Å; I504-W534 HydrophobicContact CG2-CZ3 3.77Å; I504-F535 HydrophobicContact CD1-CE2 3.84Å; I504-F535 HydrophobicContact CD1-CZ 4.32Å; I504-F535 HydrophobicContact CG1-CE2 3.72Å; I504-F535 HydrophobicContact CG1-CZ 3.69Å |
| 505 | E | 87 | Confident | 76.1 | Confident | 121 Ų | 121 | 60.4 Ų | 60.4 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.4 | -47.3 | -177.7 | -69.1 | 176.8 | -178.7 | 0 | 0 | 110.9 | S503 Q508 N509 W534 | S503-E505 VanDerWaalsContact C-N 3.31Å; S503-E505 PolarHBondContact O-N 3.29Å; S503-E505 PolarHBondContact OG-N 3.03Å; E505-Q508 PolarHBondContact O-N 2.85Å; E505-N509 VanDerWaalsContact O-CB 3.27Å; E505-N509 WeakPolarHBondContact O-CB 3.32Å; E505-N509 PolarHBondContact O-N 3.19Å; E505-W534 HydrophobicContact CB-CZ3 4.49Å; E505-W534 HydrophobicContact CG-CH2 3.51Å; E505-W534 HydrophobicContact CG-CZ3 3.65Å |
| 506 | E | 87.3 | Confident | 78.3 | Confident | 85 Ų | 85 | 61.3 Ų | 61.3 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 178.5 | -60.5 | 178.3 | 143.8 | 0 | 0 | 111.3 | L475 S503 N509 M510 | L475-E506 HydrophobicContact CD1-CB 4.02Å; L475-E506 HydrophobicContact CD2-CB 4.07Å; L475-E506 HydrophobicContact CG-CB 4.44Å; S503-E506 VanDerWaalsContact CB-OE2 3.31Å; S503-E506 WeakPolarHBondContact CB-OE2 3.27Å; E506-N509 PolarHBondContact O-N 3.36Å; E506-M510 WeakPolarHBondContact O-CB 3.5Å; E506-M510 PolarHBondContact O-N 3.4Å |
| 507 | M | 90.5 | Very high | 80.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 174.8 | -173.4 | -173.4 | -60.1 | 0 | 0 | 111.4 | F477 T487 P490 N502 S503 M510 L511 F535 | F477-M507 HydrophobicContact CD2-CG 4.48Å; T487-M507 HydrophobicContact CG2-CE 3.68Å; T487-M507 HydrophobicContact CG2-SD 3.91Å; T487-M507 WeakPolarHBondContact OG1-CE 3.44Å; P490-M507 HydrophobicContact CB-CE 3.86Å; P490-M507 HydrophobicContact CB-SD 4.13Å; P490-M507 HydrophobicContact CG-CE 3.7Å; P490-M507 HydrophobicContact CG-SD 3.73Å; N502-M507 WeakPolarHBondContact ND2-CE 3.4Å; N502-M507 WeakPolarHBondContact OD1-CE 3.44Å; S503-M507 WeakPolarHBondContact O-CB 3.31Å; S503-M507 PolarHBondContact O-N 3.06Å; S503-M507 VanDerWaalsContact O-N 3.08Å; M507-M510 HydrophobicContact CG-CE 4.14Å; M507-L511 HydrophobicContact CG-CD1 4.01Å; M507-L511 HydrophobicContact CG-CG 4.46Å; M507-L511 WeakPolarHBondContact O-CB 3.42Å; M507-L511 VanDerWaalsContact O-CG 3.23Å; M507-L511 WeakPolarHBondContact O-CG 3.37Å; M507-L511 PolarHBondContact O-N 3.44Å; M507-F535 HydrophobicContact CG-CE1 4.26Å; M507-F535 HydrophobicContact CG-CZ 4.39Å; M507-F535 HydrophobicContact SD-CE1 4.28Å; M507-F535 HydrophobicContact SD-CZ 3.95Å |
| 508 | Q | 91.6 | Very high | 82.3 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -47.8 | 175.2 | 176.6 | 169.3 | -24.5 | 0 | 0 | 111 | I504 E505 M510 L511 D512 F535 H536 | I504-Q508 WeakPolarHBondContact O-CB 3.35Å; I504-Q508 PolarHBondContact O-N 3.27Å; E505-Q508 PolarHBondContact O-N 2.85Å; Q508-M510 VanDerWaalsContact C-N 3.31Å; Q508-M510 PolarHBondContact O-N 3.22Å; Q508-L511 CarbonylContact O-C 3.21Å; Q508-L511 PolarHBondContact O-N 3.45Å; Q508-L511 VanDerWaalsContact O-N 3.09Å; Q508-D512 WeakPolarHBondContact CG-OD2 3.33Å; Q508-D512 PolarHBondContact NE2-OD2 2.88Å; Q508-D512 VanDerWaalsContact NE2-OD2 3.08Å; Q508-D512 WeakPolarHBondContact O-CB 3.2Å; Q508-D512 PolarHBondContact O-N 3.22Å; Q508-F535 HydrophobicContact CB-CD1 4.02Å; Q508-F535 HydrophobicContact CB-CE1 3.85Å; Q508-F535 HydrophobicContact CG-CD1 4.33Å; Q508-H536 PolarHBondContact NE2-NE2 3.32Å |
| 509 | N | 89.7 | Confident | 84.9 | Confident | 105 Ų | 105 | 53.8 Ų | 53.8 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -57.3 | -44.3 | 178.5 | -176.3 | 11.1 | 0 | 0 | 0 | 111.7 | E505 E506 T513 | E505-N509 VanDerWaalsContact O-CB 3.27Å; E505-N509 WeakPolarHBondContact O-CB 3.32Å; E505-N509 PolarHBondContact O-N 3.19Å; E506-N509 PolarHBondContact O-N 3.36Å; N509-T513 WeakPolarHBondContact O-CB 3.19Å; N509-T513 PolarHBondContact O-N 2.86Å; N509-T513 PolarHBondContact O-OG1 3.17Å; N509-T513 PolarHBondContact OD1-OG1 2.79Å |
| 510 | M | 91.1 | Very high | 87.2 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -43.6 | 173.9 | 176.9 | -158.9 | 71 | 0 | 0 | 112.4 | L471 L475 F477 E506 M507 Q508 R514 | L471-M510 HydrophobicContact CD2-CG 4.41Å; L471-M510 HydrophobicContact CD2-SD 3.76Å; L475-M510 HydrophobicContact CD1-CB 4.4Å; L475-M510 HydrophobicContact CD1-SD 3.9Å; F477-M510 HydrophobicContact CB-CE 4.41Å; F477-M510 HydrophobicContact CD1-CE 4.09Å; F477-M510 HydrophobicContact CD2-CE 3.62Å; F477-M510 HydrophobicContact CE1-CE 4.22Å; F477-M510 HydrophobicContact CE2-CE 3.74Å; F477-M510 HydrophobicContact CG-CE 3.8Å; F477-M510 HydrophobicContact CZ-CE 4.05Å; E506-M510 WeakPolarHBondContact O-CB 3.5Å; E506-M510 PolarHBondContact O-N 3.4Å; M507-M510 HydrophobicContact CG-CE 4.14Å; Q508-M510 VanDerWaalsContact C-N 3.31Å; Q508-M510 PolarHBondContact O-N 3.22Å; M510-R514 WeakPolarHBondContact O-CB 3.04Å; M510-R514 VanDerWaalsContact O-CG 3.31Å; M510-R514 WeakPolarHBondContact O-CG 3.42Å; M510-R514 PolarHBondContact O-N 2.7Å |
| 511 | L | 94 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.8 | -40 | 179.3 | -74.9 | 173.6 | 0 | 0 | 0 | 112.4 | F477 M507 Q508 R514 F515 Y519 F535 I573 V575 | F477-L511 HydrophobicContact CE2-CD2 3.98Å; F477-L511 HydrophobicContact CZ-CD2 3.76Å; M507-L511 HydrophobicContact CG-CD1 4.01Å; M507-L511 HydrophobicContact CG-CG 4.46Å; M507-L511 WeakPolarHBondContact O-CB 3.42Å; M507-L511 VanDerWaalsContact O-CG 3.23Å; M507-L511 WeakPolarHBondContact O-CG 3.37Å; M507-L511 PolarHBondContact O-N 3.44Å; Q508-L511 CarbonylContact O-C 3.21Å; Q508-L511 PolarHBondContact O-N 3.45Å; Q508-L511 VanDerWaalsContact O-N 3.09Å; L511-R514 PolarHBondContact O-N 2.88Å; L511-F515 HydrophobicContact CD2-CD2 4.01Å; L511-F515 CarbonylContact O-C 3.49Å; L511-F515 VanDerWaalsContact O-C 3.32Å; L511-F515 VanDerWaalsContact O-CA 3.28Å; L511-F515 WeakPolarHBondContact O-CA 3.42Å; L511-F515 WeakPolarHBondContact O-CB 3.19Å; L511-F515 PolarHBondContact O-N 3.12Å; L511-Y519 HydrophobicContact CB-CD1 3.78Å; L511-Y519 HydrophobicContact CB-CD2 4.33Å; L511-Y519 HydrophobicContact CB-CE1 3.56Å; L511-Y519 HydrophobicContact CB-CE2 4.12Å; L511-Y519 HydrophobicContact CB-CG 4.16Å; L511-Y519 HydrophobicContact CD1-CD2 3.9Å; L511-Y519 HydrophobicContact CD1-CE2 3.89Å; L511-Y519 HydrophobicContact CD1-CG 4.34Å; L511-Y519 HydrophobicContact CD2-CG 4.33Å; L511-F535 HydrophobicContact CD1-CD1 4.13Å; L511-F535 HydrophobicContact CD1-CE1 3.88Å; L511-I573 HydrophobicContact CD2-CD1 4.29Å; L511-V575 HydrophobicContact CD1-CG2 4.23Å; L511-V575 HydrophobicContact CD2-CG2 3.92Å |
| 512 | D | 93.1 | Very high | 91 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.1 | -41.2 | 176.9 | -71.9 | -16.6 | 0 | 0 | 0 | 111 | Q508 R514 Q516 Y519 H536 | Q508-D512 WeakPolarHBondContact CG-OD2 3.33Å; Q508-D512 PolarHBondContact NE2-OD2 2.88Å; Q508-D512 VanDerWaalsContact NE2-OD2 3.08Å; Q508-D512 WeakPolarHBondContact O-CB 3.2Å; Q508-D512 PolarHBondContact O-N 3.22Å; D512-R514 VanDerWaalsContact C-N 3.35Å; D512-R514 PolarHBondContact O-N 3.14Å; D512-Q516 WeakPolarHBondContact O-CA 3.5Å; D512-Q516 WeakPolarHBondContact O-CB 3.47Å; D512-Q516 PolarHBondContact O-N 3.42Å; D512-Y519 WeakPolarHBondContact OD1-CE1 3.3Å; D512-Y519 VanDerWaalsContact OD1-CZ 3.29Å; D512-Y519 PolarHBondContact OD1-OH 3.12Å; D512-H536 IonicContact OD1-CD2 3.89Å; D512-H536 PolarHBondContact OD1-CD2 2.62Å; D512-H536 IonicContact OD1-NE2 2.82Å; D512-H536 PolarHBondContact OD1-NE2 3.34Å; D512-H536 IonicContact OD2-CD2 3.97Å; D512-H536 IonicContact OD2-CE1 2.73Å; D512-H536 IonicContact OD2-NE2 3.63Å; D512-H536 PolarHBondContact OD2-NE2 2.6Å |
| 513 | T | 91.6 | Very high | 91.9 | Very high | 108 Ų | 108 | 42.1 Ų | 42.1 | 66% | 0.663 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -65.9 | -32.3 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | N509 | N509-T513 WeakPolarHBondContact O-CB 3.19Å; N509-T513 PolarHBondContact O-N 2.86Å; N509-T513 PolarHBondContact O-OG1 3.17Å; N509-T513 PolarHBondContact OD1-OG1 2.79Å |
| 514 | R | 89 | Confident | 92.5 | Very high | 89 Ų | 89 | 41.3 Ų | 41.3 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -105.1 | -29.2 | -172.8 | -65.7 | 176.6 | -173.2 | -113.9 | -15 | 114.7 | T470 M510 L511 D512 | T470-R514 PolarHBondContact O-NH2 3.37Å; T470-R514 PolarHBondContact OG1-NH1 3.42Å; M510-R514 WeakPolarHBondContact O-CB 3.04Å; M510-R514 VanDerWaalsContact O-CG 3.31Å; M510-R514 WeakPolarHBondContact O-CG 3.42Å; M510-R514 PolarHBondContact O-N 2.7Å; L511-R514 PolarHBondContact O-N 2.88Å; D512-R514 VanDerWaalsContact C-N 3.35Å; D512-R514 PolarHBondContact O-N 3.14Å |
| 515 | F | 93 | Very high | 92.6 | Very high | 34 Ų | 34 | 41.4 Ų | 41.4 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -137.8 | 39.1 | -169.4 | -53.9 | -74.9 | 0 | 0 | 0 | 110.7 | V467 F479 L511 D517 A518 Y519 I573 | V467-F515 HydrophobicContact CG1-CZ 4.42Å; F479-F515 HydrophobicContact CE1-CZ 4.32Å; F479-F515 HydrophobicContact CE2-CZ 4.4Å; F479-F515 HydrophobicContact CZ-CE1 4.49Å; F479-F515 AromaticContact CZ-CE2 3.86Å; F479-F515 HydrophobicContact CZ-CE2 3.86Å; F479-F515 AromaticContact CZ-CZ 3.56Å; F479-F515 HydrophobicContact CZ-CZ 3.56Å; L511-F515 HydrophobicContact CD2-CD2 4.01Å; L511-F515 CarbonylContact O-C 3.49Å; L511-F515 VanDerWaalsContact O-C 3.32Å; L511-F515 VanDerWaalsContact O-CA 3.28Å; L511-F515 WeakPolarHBondContact O-CA 3.42Å; L511-F515 WeakPolarHBondContact O-CB 3.19Å; L511-F515 PolarHBondContact O-N 3.12Å; F515-D517 PolarHBondContact O-N 2.65Å; F515-D517 VanDerWaalsContact O-N 3.15Å; F515-A518 HydrophobicContact CB-CB 4.45Å; F515-A518 CarbonylContact O-C 3.57Å; F515-A518 WeakPolarHBondContact O-CA 3.48Å; F515-A518 WeakPolarHBondContact O-CB 3.27Å; F515-A518 PolarHBondContact O-N 3.13Å; F515-Y519 HydrophobicContact CB-CD1 4.1Å; F515-Y519 WeakPolarHBondContact O-CD1 3.49Å; F515-I573 HydrophobicContact CB-CD1 4.36Å; F515-I573 HydrophobicContact CD1-CD1 3.93Å; F515-I573 HydrophobicContact CD1-CG1 4.39Å; F515-I573 HydrophobicContact CD1-CG2 4.16Å; F515-I573 HydrophobicContact CD2-CD1 3.65Å; F515-I573 HydrophobicContact CE1-CD1 4.13Å; F515-I573 HydrophobicContact CE1-CG2 4.22Å; F515-I573 HydrophobicContact CE2-CD1 3.87Å; F515-I573 HydrophobicContact CG-CD1 3.7Å; F515-I573 HydrophobicContact CG-CG1 4.3Å; F515-I573 HydrophobicContact CZ-CD1 4.11Å |
| 516 | Q | 90.3 | Very high | 92.6 | Very high | 150 Ų | 150 | 40.8 Ų | 40.8 | 70% | 0.701 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.4 | 120.9 | 179.8 | -161.5 | 174.7 | 10.8 | 0 | 0 | 111.5 | D512 A518 | D512-Q516 WeakPolarHBondContact O-CA 3.5Å; D512-Q516 WeakPolarHBondContact O-CB 3.47Å; D512-Q516 PolarHBondContact O-N 3.42Å; Q516-A518 PolarHBondContact O-N 3.28Å |
| 517 | D | 91 | Very high | 92.5 | Very high | 81 Ų | 81 | 42.5 Ų | 42.5 | 43% | 0.433 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 28.8 | -175 | -57.2 | -42.9 | 0 | 0 | 0 | 115.8 | F515 R538 K569 | F515-D517 PolarHBondContact O-N 2.65Å; F515-D517 VanDerWaalsContact O-N 3.15Å; D517-R538 IonicContact OD1-CZ 3.77Å; D517-R538 IonicContact OD1-NE 2.79Å; D517-R538 IonicContact OD1-NH2 3.61Å; D517-R538 PolarHBondContact OD1-NH2 2.98Å; D517-K569 PolarHBondContact O-NZ 2.89Å |
| 518 | A | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -133.5 | 20.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F515 Q516 N572 I573 | F515-A518 HydrophobicContact CB-CB 4.45Å; F515-A518 CarbonylContact O-C 3.57Å; F515-A518 WeakPolarHBondContact O-CA 3.48Å; F515-A518 WeakPolarHBondContact O-CB 3.27Å; F515-A518 PolarHBondContact O-N 3.13Å; Q516-A518 PolarHBondContact O-N 3.28Å; A518-N572 WeakPolarHBondContact CA-OD1 3.44Å; A518-N572 CarbonylContact O-C 3.55Å; A518-N572 VanDerWaalsContact O-CA 3.26Å; A518-N572 WeakPolarHBondContact O-CA 3.5Å; A518-I573 PolarHBondContact O-N 3.48Å | ||
| 519 | Y | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 152.1 | 169.1 | 69.2 | -91 | 0 | 0 | 0 | 112.9 | L511 D512 F515 V521 F535 H536 R538 W565 I573 | L511-Y519 HydrophobicContact CB-CD1 3.78Å; L511-Y519 HydrophobicContact CB-CD2 4.33Å; L511-Y519 HydrophobicContact CB-CE1 3.56Å; L511-Y519 HydrophobicContact CB-CE2 4.12Å; L511-Y519 HydrophobicContact CB-CG 4.16Å; L511-Y519 HydrophobicContact CD1-CD2 3.9Å; L511-Y519 HydrophobicContact CD1-CE2 3.89Å; L511-Y519 HydrophobicContact CD1-CG 4.34Å; L511-Y519 HydrophobicContact CD2-CG 4.33Å; D512-Y519 WeakPolarHBondContact OD1-CE1 3.3Å; D512-Y519 VanDerWaalsContact OD1-CZ 3.29Å; D512-Y519 PolarHBondContact OD1-OH 3.12Å; F515-Y519 HydrophobicContact CB-CD1 4.1Å; F515-Y519 WeakPolarHBondContact O-CD1 3.49Å; Y519-V521 HydrophobicContact CD2-CG2 3.96Å; Y519-V521 HydrophobicContact CE2-CG2 4.1Å; Y519-F535 HydrophobicContact CE2-CB 3.93Å; Y519-F535 AromaticContact CE2-CD1 3.75Å; Y519-F535 HydrophobicContact CE2-CD1 3.75Å; Y519-F535 HydrophobicContact CE2-CG 4.24Å; Y519-H536 PolarHBondContact OH-CD2 3.39Å; Y519-R538 VanDerWaalsContact CZ-NH1 3.3Å; Y519-R538 WeakPolarHBondContact O-CD 3.39Å; Y519-R538 PolarHBondContact O-NH1 3.27Å; Y519-W565 VanDerWaalsContact C-CZ2 3.43Å; Y519-W565 VanDerWaalsContact O-CZ2 3.32Å; Y519-W565 WeakPolarHBondContact O-CZ2 3.36Å; Y519-I573 WeakPolarHBondContact CA-O 3.41Å |
| 520 | A | 96.7 | Very high | 91 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 7% | 0.066 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 142.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y522 W565 I573 V575 | A520-Y522 HydrophobicContact CB-CE2 4.02Å; A520-Y522 WeakPolarHBondContact O-CD2 3.35Å; A520-Y522 WeakPolarHBondContact O-CE2 3.33Å; A520-W565 HydrophobicContact CB-CD2 3.72Å; A520-W565 HydrophobicContact CB-CE3 4.41Å; A520-W565 HydrophobicContact CB-CG 3.85Å; A520-W565 HydrophobicContact CB-CZ2 4.16Å; A520-I573 PolarHBondContact N-O 2.8Å; A520-I573 VanDerWaalsContact N-O 3.13Å; A520-V575 PolarHBondContact O-N 3.47Å |
| 521 | V | 96.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.7 | -170.3 | -170.5 | 0 | 0 | 0 | 0 | 110.9 | Y519 Y529 F535 R538 V539 S540 V575 | Y519-V521 HydrophobicContact CD2-CG2 3.96Å; Y519-V521 HydrophobicContact CE2-CG2 4.1Å; V521-Y529 WeakPolarHBondContact CG1-OH 3.35Å; V521-F535 HydrophobicContact CG2-CB 3.97Å; V521-F535 HydrophobicContact CG2-CD1 3.99Å; V521-F535 HydrophobicContact CG2-CD2 4.02Å; V521-F535 HydrophobicContact CG2-CE1 4.5Å; V521-F535 HydrophobicContact CG2-CG 3.71Å; V521-R538 PolarHBondContact N-O 3.37Å; V521-V539 HydrophobicContact CB-CG2 4.46Å; V521-V539 CarbonylContact O-C 3.46Å; V521-V539 WeakPolarHBondContact O-CA 3.35Å; V521-S540 PolarHBondContact O-N 3.21Å; V521-V575 CarbonylContact C-O 3.58Å; V521-V575 VanDerWaalsContact CA-O 3.32Å; V521-V575 WeakPolarHBondContact CA-O 3.36Å; V521-V575 HydrophobicContact CG1-CG1 4.5Å; V521-V575 HydrophobicContact CG2-CB 4.32Å |
| 522 | Y | 97.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 96.9 | -176.8 | -63.7 | -97.6 | 0 | 0 | 0 | 108.7 | A520 L524 S540 L558 N561 A562 C574 V575 I576 H577 L588 | A520-Y522 HydrophobicContact CB-CE2 4.02Å; A520-Y522 WeakPolarHBondContact O-CD2 3.35Å; A520-Y522 WeakPolarHBondContact O-CE2 3.33Å; Y522-L524 PolarHBondContact O-N 3.16Å; Y522-S540 CarbonylContact C-O 3.59Å; Y522-S540 WeakPolarHBondContact CA-O 3.35Å; Y522-L558 HydrophobicContact CD1-CD2 4.12Å; Y522-N561 WeakPolarHBondContact CE1-OD1 3.4Å; Y522-A562 HydrophobicContact CE1-CB 4.04Å; Y522-A562 WeakPolarHBondContact OH-CA 3.34Å; Y522-C574 HydrophobicContact CD2-CB 4.19Å; Y522-C574 HydrophobicContact CE2-CB 3.88Å; Y522-V575 PolarHBondContact N-O 3.5Å; Y522-I576 HydrophobicContact CD2-CG1 4.49Å; Y522-H577 PolarHBondContact O-N 2.95Å; Y522-L588 HydrophobicContact CD1-CD2 4.24Å; Y522-L588 HydrophobicContact CG-CD2 4.3Å |
| 523 | N | 95.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 108.5 | 179.9 | -178.3 | -6.3 | 0 | 0 | 0 | 109.6 | S525 R527 V539 S540 H541 R542 H577 | N523-S525 WeakPolarHBondContact OD1-CB 3.37Å; N523-S525 PolarHBondContact OD1-N 2.96Å; N523-S525 PolarHBondContact OD1-OG 2.91Å; N523-R527 PolarHBondContact ND2-O 3.43Å; N523-V539 HydrophobicContact CB-CG1 4.4Å; N523-S540 PolarHBondContact N-O 2.88Å; N523-H541 PolarHBondContact O-CD2 2.95Å; N523-H541 VanDerWaalsContact O-CD2 3.3Å; N523-R542 PolarHBondContact O-N 2.94Å; N523-H577 WeakPolarHBondContact CA-NE2 3.23Å; N523-H577 VanDerWaalsContact CB-NE2 3.31Å; N523-H577 WeakPolarHBondContact CB-NE2 3.44Å; N523-H577 PolarHBondContact OD1-CE1 3.24Å |
| 524 | L | 95.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -97.9 | 1.1 | 179.5 | -51.9 | -179.4 | 0 | 0 | 0 | 113.1 | Y522 R542 F544 L558 I576 H577 C578 L584 L588 | Y522-L524 PolarHBondContact O-N 3.16Å; L524-R542 WeakPolarHBondContact CA-O 3.49Å; L524-F544 HydrophobicContact CB-CD2 4.39Å; L524-F544 HydrophobicContact CD2-CD2 4.23Å; L524-F544 HydrophobicContact CD2-CE2 4Å; L524-F544 PolarHBondContact O-N 3.4Å; L524-L558 HydrophobicContact CD2-CD1 3.88Å; L524-I576 HydrophobicContact CD1-CG2 3.71Å; L524-I576 HydrophobicContact CG-CG2 4.34Å; L524-H577 WeakPolarHBondContact CB-O 3.16Å; L524-H577 PolarHBondContact N-O 3.26Å; L524-C578 HydrophobicContact CB-CB 4.31Å; L524-L584 HydrophobicContact CB-CB 4.2Å; L524-L584 HydrophobicContact CD1-CB 4.36Å; L524-L584 VanDerWaalsContact CD1-O 3.3Å; L524-L584 WeakPolarHBondContact CD1-O 3.36Å; L524-L588 HydrophobicContact CD1-CB 3.71Å; L524-L588 HydrophobicContact CD1-CD2 4.12Å; L524-L588 HydrophobicContact CD2-CD2 4.08Å | ||
| 525 | S | 91.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -84.6 | 156.9 | -179.2 | 82.3 | 0 | 0 | 0 | 0 | 112.2 | F489 N523 R527 H541 G543 | F489-S525 WeakPolarHBondContact CD2-OG 3.34Å; F489-S525 WeakPolarHBondContact CE2-OG 3.27Å; N523-S525 WeakPolarHBondContact OD1-CB 3.37Å; N523-S525 PolarHBondContact OD1-N 2.96Å; N523-S525 PolarHBondContact OD1-OG 2.91Å; S525-R527 PolarHBondContact O-N 3.41Å; S525-R527 PolarHBondContact OG-N 3.25Å; S525-R527 PolarHBondContact OG-O 2.99Å; S525-R527 VanDerWaalsContact OG-O 3.06Å; S525-H541 PolarHBondContact O-NE2 2.65Å; S525-G543 VanDerWaalsContact O-CA 3.26Å; S525-G543 WeakPolarHBondContact O-CA 3.2Å |
| 526 | N | 86.6 | Confident | 88.4 | Confident | 108 Ų | 108 | 47 Ų | 47 | 58% | 0.578 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -71.9 | -0.8 | 172.8 | -69.1 | -8.5 | 0 | 0 | 0 | 113.5 | P528 G543 F544 | N526-P528 WeakPolarHBondContact O-CD 3.25Å; N526-G543 VanDerWaalsContact OD1-C 3.27Å; N526-G543 WeakPolarHBondContact OD1-CA 3.48Å; N526-F544 PolarHBondContact OD1-N 2.91Å; N526-F544 PolarHBondContact OD1-O 3.43Å |
| 527 | R | 84.9 | Confident | 88.2 | Confident | 121 Ų | 121 | 42 Ų | 42 | 46% | 0.457 | 22% | 0.216 | S | C | . | . | trans | -103 | 108.4 | 174.9 | -71.9 | -175.1 | 174.2 | -164.1 | 1.3 | 110 | F489 E496 N523 S525 | F489-R527 HydrophobicContact CE2-CB 3.82Å; F489-R527 VanDerWaalsContact CE2-O 3.26Å; F489-R527 WeakPolarHBondContact CE2-O 3.31Å; F489-R527 HydrophobicContact CZ-CB 3.71Å; E496-R527 VanDerWaalsContact CD-NH1 3.3Å; E496-R527 IonicContact OE1-CZ 3.94Å; E496-R527 IonicContact OE1-NH1 3.01Å; E496-R527 PolarHBondContact OE1-NH1 2.86Å; E496-R527 IonicContact OE1-NH2 3.27Å; E496-R527 PolarHBondContact OE1-NH2 2.86Å; E496-R527 IonicContact OE2-CZ 3.8Å; E496-R527 IonicContact OE2-NH1 2.67Å; E496-R527 PolarHBondContact OE2-NH1 2.79Å; E496-R527 IonicContact OE2-NH2 2.78Å; N523-R527 PolarHBondContact ND2-O 3.43Å; S525-R527 PolarHBondContact O-N 3.41Å; S525-R527 PolarHBondContact OG-N 3.25Å; S525-R527 PolarHBondContact OG-O 2.99Å; S525-R527 VanDerWaalsContact OG-O 3.06Å | ||
| 528 | P | 84.2 | Confident | 88.3 | Confident | 41 Ų | 41 | 40.2 Ų | 40.2 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | trans | -79.5 | 141.1 | 163.1 | 31.5 | -32.1 | 0 | 0 | 0 | 110.7 | M1 N526 | M1-P528 HydrophobicContact CB-CG 4.21Å; N526-P528 WeakPolarHBondContact O-CD 3.25Å | ||
| 529 | Y | 82.7 | Confident | 88.1 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | trans | -103.2 | 173.4 | 162.4 | 43.4 | -119.1 | 0 | 0 | 0 | 110 | F489 P490 E492 I504 V521 S531 F535 V539 H577 | F489-Y529 AromaticContact CE2-CD1 3.95Å; F489-Y529 HydrophobicContact CE2-CD1 3.95Å; F489-Y529 HydrophobicContact CE2-CE1 4.16Å; F489-Y529 AromaticContact CZ-CD1 3.8Å; F489-Y529 HydrophobicContact CZ-CD1 3.8Å; F489-Y529 HydrophobicContact CZ-CE1 4.42Å; P490-Y529 HydrophobicContact CB-CE1 4.41Å; P490-Y529 HydrophobicContact CG-CE1 3.94Å; E492-Y529 WeakPolarHBondContact OE2-CB 3.41Å; I504-Y529 HydrophobicContact CD1-CD1 3.86Å; I504-Y529 HydrophobicContact CD1-CD2 4.12Å; I504-Y529 HydrophobicContact CD1-CE1 4.11Å; I504-Y529 HydrophobicContact CD1-CE2 4.37Å; I504-Y529 HydrophobicContact CD1-CG 3.85Å; V521-Y529 WeakPolarHBondContact CG1-OH 3.35Å; Y529-S531 PolarHBondContact O-N 3.33Å; Y529-F535 HydrophobicContact CE1-CE2 4.49Å; Y529-F535 AromaticContact CE2-CD2 3.97Å; Y529-F535 HydrophobicContact CE2-CD2 3.97Å; Y529-F535 AromaticContact CE2-CE2 3.95Å; Y529-F535 HydrophobicContact CE2-CE2 3.95Å; Y529-F535 AromaticContact CZ-CE2 3.72Å; Y529-F535 WeakPolarHBondContact OH-CE2 3.37Å; Y529-V539 HydrophobicContact CE2-CG1 3.82Å; Y529-V539 HydrophobicContact CE2-CG2 4.14Å; Y529-H577 AromaticContact CE1-CE1 3.68Å; Y529-H577 AromaticContact CE1-NE2 3.58Å; Y529-H577 AromaticContact CZ-NE2 3.56Å; Y529-H577 PolarHBondContact OH-NE2 3.44Å | ||
| 530 | R | 74.8 | Confident | 87.9 | Confident | 95 Ų | 95 | 42.8 Ų | 42.8 | 36% | 0.358 | 22% | 0.22 | S | C | . | . | trans | -66.1 | 88.4 | 179.9 | -66.3 | 176.4 | 175.7 | -107.1 | 1 | 112.4 | E213 E492 D532 H533 W534 | E213-R530 IonicContact OE1-CZ 2.65Å; E213-R530 IonicContact OE1-NH1 2.59Å; E213-R530 PolarHBondContact OE1-NH1 3.08Å; E213-R530 IonicContact OE1-NH2 2.78Å; E213-R530 PolarHBondContact OE1-NH2 2.74Å; E213-R530 IonicContact OE2-NH1 2.62Å; E492-R530 WeakPolarHBondContact OE1-CB 3.11Å; E492-R530 VanDerWaalsContact OE1-CD 3.31Å; E492-R530 WeakPolarHBondContact OE1-CD 3.29Å; E492-R530 WeakPolarHBondContact OE1-CG 3.28Å; R530-D532 VanDerWaalsContact C-OD1 3.32Å; R530-D532 PolarHBondContact O-N 2.74Å; R530-H533 HydrophobicContact CB-CB 3.79Å; R530-H533 PolarHBondContact O-N 3.24Å; R530-W534 PolarHBondContact O-N 3.05Å | ||
| 531 | S | 72.3 | Confident | 87.8 | Confident | 43 Ų | 43 | 45.5 Ų | 45.5 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.4 | -175.9 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | Y529 G537 | Y529-S531 PolarHBondContact O-N 3.33Å; S531-G537 WeakPolarHBondContact O-CA 3.5Å; S531-G537 PolarHBondContact O-N 3.14Å |
| 532 | D | 75.7 | Confident | 87.5 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 39% | 0.39 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -34.2 | 172.2 | 57.2 | -57.2 | 0 | 0 | 0 | 112.5 | R530 | R530-D532 VanDerWaalsContact C-OD1 3.32Å; R530-D532 PolarHBondContact O-N 2.74Å |
| 533 | H | 80.6 | Confident | 87.1 | Confident | 117 Ų | 117 | 49.7 Ų | 49.7 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -41.4 | 179.8 | -168.2 | 26.9 | 0 | 0 | 0 | 112.2 | R530 | R530-H533 HydrophobicContact CB-CB 3.79Å; R530-H533 PolarHBondContact O-N 3.24Å |
| 534 | W | 87.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 10% | 0.095 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -101.5 | 145.5 | -174.3 | -56 | 109.2 | 0 | 0 | 0 | 112.6 | E492 I504 E505 R530 H536 | E492-W534 VanDerWaalsContact CD-NE1 3.3Å; E492-W534 HydrophobicContact CG-CZ2 4.17Å; E492-W534 PolarHBondContact OE1-NE1 2.78Å; I504-W534 HydrophobicContact CD1-CB 3.85Å; I504-W534 HydrophobicContact CD1-CD2 3.87Å; I504-W534 HydrophobicContact CD1-CG 3.49Å; I504-W534 VanDerWaalsContact CD1-CG 3.49Å; I504-W534 HydrophobicContact CG1-CB 4.27Å; I504-W534 HydrophobicContact CG1-CD2 3.94Å; I504-W534 HydrophobicContact CG1-CE3 4.11Å; I504-W534 HydrophobicContact CG1-CG 3.99Å; I504-W534 HydrophobicContact CG2-CD2 3.78Å; I504-W534 HydrophobicContact CG2-CE3 3.79Å; I504-W534 HydrophobicContact CG2-CH2 3.73Å; I504-W534 HydrophobicContact CG2-CZ2 3.71Å; I504-W534 HydrophobicContact CG2-CZ3 3.77Å; E505-W534 HydrophobicContact CB-CZ3 4.49Å; E505-W534 HydrophobicContact CG-CH2 3.51Å; E505-W534 HydrophobicContact CG-CZ3 3.65Å; R530-W534 PolarHBondContact O-N 3.05Å; W534-H536 PolarHBondContact O-N 3.03Å; W534-H536 VanDerWaalsContact O-N 3.17Å |
| 535 | F | 91.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | 57.8 | 27.2 | 175 | -52.3 | -62.3 | 0 | 0 | 0 | 114.1 | P490 I504 M507 Q508 L511 Y519 V521 Y529 G537 R538 V539 | P490-F535 HydrophobicContact CB-CZ 4.39Å; P490-F535 HydrophobicContact CG-CE2 4.43Å; P490-F535 HydrophobicContact CG-CZ 4.29Å; I504-F535 HydrophobicContact CD1-CE2 3.84Å; I504-F535 HydrophobicContact CD1-CZ 4.32Å; I504-F535 HydrophobicContact CG1-CE2 3.72Å; I504-F535 HydrophobicContact CG1-CZ 3.69Å; M507-F535 HydrophobicContact CG-CE1 4.26Å; M507-F535 HydrophobicContact CG-CZ 4.39Å; M507-F535 HydrophobicContact SD-CE1 4.28Å; M507-F535 HydrophobicContact SD-CZ 3.95Å; Q508-F535 HydrophobicContact CB-CD1 4.02Å; Q508-F535 HydrophobicContact CB-CE1 3.85Å; Q508-F535 HydrophobicContact CG-CD1 4.33Å; L511-F535 HydrophobicContact CD1-CD1 4.13Å; L511-F535 HydrophobicContact CD1-CE1 3.88Å; Y519-F535 HydrophobicContact CE2-CB 3.93Å; Y519-F535 AromaticContact CE2-CD1 3.75Å; Y519-F535 HydrophobicContact CE2-CD1 3.75Å; Y519-F535 HydrophobicContact CE2-CG 4.24Å; V521-F535 HydrophobicContact CG2-CB 3.97Å; V521-F535 HydrophobicContact CG2-CD1 3.99Å; V521-F535 HydrophobicContact CG2-CD2 4.02Å; V521-F535 HydrophobicContact CG2-CE1 4.5Å; V521-F535 HydrophobicContact CG2-CG 3.71Å; Y529-F535 HydrophobicContact CE1-CE2 4.49Å; Y529-F535 AromaticContact CE2-CD2 3.97Å; Y529-F535 HydrophobicContact CE2-CD2 3.97Å; Y529-F535 AromaticContact CE2-CE2 3.95Å; Y529-F535 HydrophobicContact CE2-CE2 3.95Å; Y529-F535 AromaticContact CZ-CE2 3.72Å; Y529-F535 WeakPolarHBondContact OH-CE2 3.37Å; F535-G537 VanDerWaalsContact C-N 3.33Å; F535-G537 PolarHBondContact O-N 2.75Å; F535-R538 VanDerWaalsContact O-CB 3.32Å; F535-R538 WeakPolarHBondContact O-CB 3.32Å; F535-R538 PolarHBondContact O-N 3.45Å; F535-V539 HydrophobicContact CB-CG2 3.85Å; F535-V539 HydrophobicContact CD2-CG2 3.98Å; F535-V539 HydrophobicContact CG-CG2 4.41Å |
| 536 | H | 89.4 | Confident | 86.2 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | 54 | 39.2 | 176.4 | -48.3 | -87.7 | 0 | 0 | 0 | 114.4 | Q508 D512 Y519 W534 R538 | Q508-H536 PolarHBondContact NE2-NE2 3.32Å; D512-H536 IonicContact OD1-CD2 3.89Å; D512-H536 PolarHBondContact OD1-CD2 2.62Å; D512-H536 IonicContact OD1-NE2 2.82Å; D512-H536 PolarHBondContact OD1-NE2 3.34Å; D512-H536 IonicContact OD2-CD2 3.97Å; D512-H536 IonicContact OD2-CE1 2.73Å; D512-H536 IonicContact OD2-NE2 3.63Å; D512-H536 PolarHBondContact OD2-NE2 2.6Å; Y519-H536 PolarHBondContact OH-CD2 3.39Å; W534-H536 PolarHBondContact O-N 3.03Å; W534-H536 VanDerWaalsContact O-N 3.17Å; H536-R538 PolarHBondContact CD2-NH2 3Å; H536-R538 VanDerWaalsContact CD2-NH2 3.29Å; H536-R538 PolarHBondContact O-N 3.03Å |
| 537 | G | 86.3 | Confident | 86.1 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 49% | 0.485 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | 78.6 | -8.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | S531 F535 V539 | S531-G537 WeakPolarHBondContact O-CA 3.5Å; S531-G537 PolarHBondContact O-N 3.14Å; F535-G537 VanDerWaalsContact C-N 3.33Å; F535-G537 PolarHBondContact O-N 2.75Å; G537-V539 PolarHBondContact O-N 2.94Å |
| 538 | R | 92.3 | Very high | 86.4 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 16% | 0.158 | 27% | 0.272 | C | S | . | . | trans | -81.7 | 45.3 | -170.6 | -57.4 | -172.6 | -107.7 | 113.9 | -2.7 | 112.8 | D517 Y519 V521 F535 H536 | D517-R538 IonicContact OD1-CZ 3.77Å; D517-R538 IonicContact OD1-NE 2.79Å; D517-R538 IonicContact OD1-NH2 3.61Å; D517-R538 PolarHBondContact OD1-NH2 2.98Å; Y519-R538 VanDerWaalsContact CZ-NH1 3.3Å; Y519-R538 WeakPolarHBondContact O-CD 3.39Å; Y519-R538 PolarHBondContact O-NH1 3.27Å; V521-R538 PolarHBondContact N-O 3.37Å; F535-R538 VanDerWaalsContact O-CB 3.32Å; F535-R538 WeakPolarHBondContact O-CB 3.32Å; F535-R538 PolarHBondContact O-N 3.45Å; H536-R538 PolarHBondContact CD2-NH2 3Å; H536-R538 VanDerWaalsContact CD2-NH2 3.29Å; H536-R538 PolarHBondContact O-N 3.03Å | ||
| 539 | V | 92.7 | Very high | 86.9 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 114.7 | -173.8 | -170.8 | 0 | 0 | 0 | 0 | 112 | V521 N523 Y529 F535 G537 | V521-V539 HydrophobicContact CB-CG2 4.46Å; V521-V539 CarbonylContact O-C 3.46Å; V521-V539 WeakPolarHBondContact O-CA 3.35Å; N523-V539 HydrophobicContact CB-CG1 4.4Å; Y529-V539 HydrophobicContact CE2-CG1 3.82Å; Y529-V539 HydrophobicContact CE2-CG2 4.14Å; F535-V539 HydrophobicContact CB-CG2 3.85Å; F535-V539 HydrophobicContact CD2-CG2 3.98Å; F535-V539 HydrophobicContact CG-CG2 4.41Å; G537-V539 PolarHBondContact O-N 2.94Å |
| 540 | S | 93 | Very high | 87.5 | Confident | 28 Ų | 28 | 49.5 Ų | 49.5 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 109.5 | 172 | -163.9 | 0 | 0 | 0 | 0 | 109.6 | V521 Y522 N523 N561 | V521-S540 PolarHBondContact O-N 3.21Å; Y522-S540 CarbonylContact C-O 3.59Å; Y522-S540 WeakPolarHBondContact CA-O 3.35Å; N523-S540 PolarHBondContact N-O 2.88Å; S540-N561 PolarHBondContact OG-OD1 3.41Å |
| 541 | H | 92.9 | Very high | 88.5 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.3 | -179.4 | -177.2 | -125.5 | 0 | 0 | 0 | 112.7 | N523 S525 | N523-H541 PolarHBondContact O-CD2 2.95Å; N523-H541 VanDerWaalsContact O-CD2 3.3Å; S525-H541 PolarHBondContact O-NE2 2.65Å |
| 542 | R | 89.9 | Confident | 89.6 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 25% | 0.249 | 24% | 0.242 | C | C | . | . | trans | -147.7 | 85.1 | 174 | -73.6 | -62.7 | -177.4 | -103.5 | 14 | 109.9 | S264 N523 L524 F544 L558 | S264-R542 PolarHBondContact OG-NH2 2.89Å; N523-R542 PolarHBondContact O-N 2.94Å; L524-R542 WeakPolarHBondContact CA-O 3.49Å; R542-F544 HydrophobicContact CB-CE1 4.09Å; R542-F544 HydrophobicContact CB-CE2 4.28Å; R542-F544 HydrophobicContact CB-CZ 3.82Å; R542-F544 PolarHBondContact O-N 2.94Å; R542-L558 HydrophobicContact CB-CD1 4Å; R542-L558 HydrophobicContact CB-CD2 4.33Å; R542-L558 HydrophobicContact CG-CD1 4.08Å; R542-L558 HydrophobicContact CG-CD2 3.86Å; R542-L558 HydrophobicContact CG-CG 4.11Å | ||
| 543 | G | 89.3 | Confident | 90.4 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 27% | 0.268 | 24% | 0.241 | S | C | . | . | trans | -62.7 | 122.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S525 N526 | S525-G543 VanDerWaalsContact O-CA 3.26Å; S525-G543 WeakPolarHBondContact O-CA 3.2Å; N526-G543 VanDerWaalsContact OD1-C 3.27Å; N526-G543 WeakPolarHBondContact OD1-CA 3.48Å | ||
| 544 | F | 91.4 | Very high | 91.1 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 11% | 0.114 | 22% | 0.22 | C | C | . | . | trans | -119.4 | 152.1 | 178.5 | -61.5 | -40.1 | 0 | 0 | 0 | 112.2 | L524 N526 R542 A546 P550 L558 L584 | L524-F544 HydrophobicContact CB-CD2 4.39Å; L524-F544 HydrophobicContact CD2-CD2 4.23Å; L524-F544 HydrophobicContact CD2-CE2 4Å; L524-F544 PolarHBondContact O-N 3.4Å; N526-F544 PolarHBondContact OD1-N 2.91Å; N526-F544 PolarHBondContact OD1-O 3.43Å; R542-F544 HydrophobicContact CB-CE1 4.09Å; R542-F544 HydrophobicContact CB-CE2 4.28Å; R542-F544 HydrophobicContact CB-CZ 3.82Å; R542-F544 PolarHBondContact O-N 2.94Å; F544-A546 PolarHBondContact O-N 2.87Å; F544-P550 HydrophobicContact CB-CG 4.38Å; F544-P550 HydrophobicContact CD1-CB 3.95Å; F544-P550 HydrophobicContact CD1-CG 4.29Å; F544-P550 HydrophobicContact CD2-CB 3.96Å; F544-P550 HydrophobicContact CD2-CG 3.53Å; F544-P550 HydrophobicContact CE1-CB 3.82Å; F544-P550 HydrophobicContact CE1-CG 4.46Å; F544-P550 HydrophobicContact CE2-CB 3.81Å; F544-P550 HydrophobicContact CE2-CG 3.72Å; F544-P550 HydrophobicContact CG-CB 4.03Å; F544-P550 HydrophobicContact CG-CG 3.84Å; F544-P550 HydrophobicContact CZ-CB 3.74Å; F544-P550 HydrophobicContact CZ-CG 4.19Å; F544-L558 HydrophobicContact CE2-CD1 3.53Å; F544-L558 HydrophobicContact CZ-CD1 3.57Å; F544-L584 HydrophobicContact CB-CD1 4.03Å; F544-L584 HydrophobicContact CB-CD2 3.78Å; F544-L584 WeakPolarHBondContact O-CD1 3.32Å | ||
| 545 | E | 89.1 | Confident | 91.5 | Very high | 85 Ų | 85 | 39.3 Ų | 39.3 | 40% | 0.397 | 22% | 0.215 | S | C | . | . | trans | -77 | 114.3 | 171.4 | -63.7 | -165.5 | 146.7 | 0 | 0 | 110.2 | H547 R548 | E545-H547 PolarHBondContact O-N 2.93Å; E545-H547 IonicContact OE1-CE1 3.79Å; E545-H547 IonicContact OE2-CE1 2.72Å; E545-H547 PolarHBondContact OE2-CE1 2.86Å; E545-H547 VanDerWaalsContact OE2-CE1 3.24Å; E545-H547 IonicContact OE2-NE2 2.71Å; E545-R548 HydrophobicContact CB-CB 4.4Å; E545-R548 HydrophobicContact CB-CG 4.41Å; E545-R548 PolarHBondContact O-N 2.67Å; E545-R548 WeakPolarHBondContact OE2-CD 3.3Å; E545-R548 IonicContact OE2-CZ 2.81Å; E545-R548 IonicContact OE2-NE 2.84Å; E545-R548 PolarHBondContact OE2-NE 2.88Å; E545-R548 IonicContact OE2-NH2 3.52Å; E545-R548 PolarHBondContact OE2-NH2 3.22Å | ||
| 546 | A | 84.1 | Confident | 91.6 | Very high | 55 Ų | 55 | 39.3 Ų | 39.3 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -17.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F544 L584 Q622 | F544-A546 PolarHBondContact O-N 2.87Å; A546-L584 HydrophobicContact CB-CD1 3.97Å; A546-L584 HydrophobicContact CB-CG 4.11Å; A546-Q622 PolarHBondContact O-NE2 2.77Å |
| 547 | H | 84.1 | Confident | 91.9 | Very high | 72 Ų | 72 | 37.4 Ų | 37.4 | 33% | 0.333 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 6.6 | -179.5 | 78.1 | -93.8 | 0 | 0 | 0 | 114.1 | E545 Q735 H759 | E545-H547 PolarHBondContact O-N 2.93Å; E545-H547 IonicContact OE1-CE1 3.79Å; E545-H547 IonicContact OE2-CE1 2.72Å; E545-H547 PolarHBondContact OE2-CE1 2.86Å; E545-H547 VanDerWaalsContact OE2-CE1 3.24Å; E545-H547 IonicContact OE2-NE2 2.71Å; H547-Q735 PolarHBondContact O-NE2 2.91Å; H547-Q735 VanDerWaalsContact O-NE2 3.09Å; H547-H759 PolarHBondContact O-NE2 2.88Å |
| 548 | R | 91.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -130.3 | 164 | 173.1 | -63.3 | -159.4 | -150 | -153.4 | 7.5 | 111.3 | E545 Q622 T712 Q737 | E545-R548 HydrophobicContact CB-CB 4.4Å; E545-R548 HydrophobicContact CB-CG 4.41Å; E545-R548 PolarHBondContact O-N 2.67Å; E545-R548 WeakPolarHBondContact OE2-CD 3.3Å; E545-R548 IonicContact OE2-CZ 2.81Å; E545-R548 IonicContact OE2-NE 2.84Å; E545-R548 PolarHBondContact OE2-NE 2.88Å; E545-R548 IonicContact OE2-NH2 3.52Å; E545-R548 PolarHBondContact OE2-NH2 3.22Å; R548-Q622 PolarHBondContact O-NE2 2.79Å; R548-T712 PolarHBondContact NH1-OG1 3.08Å; R548-Q737 VanDerWaalsContact CA-OE1 3.22Å; R548-Q737 VanDerWaalsContact CB-OE1 3.25Å |
| 549 | A | 94.7 | Very high | 92.6 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 139.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q622 Y625 Q737 | A549-Q622 HydrophobicContact CB-CG 4.24Å; A549-Y625 HydrophobicContact CB-CD1 3.87Å; A549-Y625 HydrophobicContact CB-CD2 3.74Å; A549-Y625 HydrophobicContact CB-CE1 4.23Å; A549-Y625 HydrophobicContact CB-CE2 4.14Å; A549-Y625 HydrophobicContact CB-CG 3.59Å; A549-Q737 PolarHBondContact O-NE2 3.02Å |
| 550 | P | 94.7 | Very high | 92.7 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 160.1 | 166.5 | -22 | 34.3 | 0 | 0 | 0 | 111.9 | F544 V587 Y625 | F544-P550 HydrophobicContact CB-CG 4.38Å; F544-P550 HydrophobicContact CD1-CB 3.95Å; F544-P550 HydrophobicContact CD1-CG 4.29Å; F544-P550 HydrophobicContact CD2-CB 3.96Å; F544-P550 HydrophobicContact CD2-CG 3.53Å; F544-P550 HydrophobicContact CE1-CB 3.82Å; F544-P550 HydrophobicContact CE1-CG 4.46Å; F544-P550 HydrophobicContact CE2-CB 3.81Å; F544-P550 HydrophobicContact CE2-CG 3.72Å; F544-P550 HydrophobicContact CG-CB 4.03Å; F544-P550 HydrophobicContact CG-CG 3.84Å; F544-P550 HydrophobicContact CZ-CB 3.74Å; F544-P550 HydrophobicContact CZ-CG 4.19Å; P550-V587 HydrophobicContact CG-CG1 4.11Å; P550-Y625 WeakPolarHBondContact O-CD1 3.4Å; P550-Y625 WeakPolarHBondContact O-CE1 3.36Å |
| 551 | T | 95.1 | Very high | 92.8 | Very high | 41 Ų | 41 | 35 Ų | 35 | 25% | 0.252 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 139.5 | 169.7 | 47.3 | 0 | 0 | 0 | 0 | 110.9 | K553 S554 L555 D710 | T551-K553 PolarHBondContact O-N 3.19Å; T551-S554 PolarHBondContact O-N 2.85Å; T551-S554 WeakPolarHBondContact OG1-CB 3Å; T551-S554 PolarHBondContact OG1-OG 3.02Å; T551-L555 PolarHBondContact O-N 3.19Å; T551-D710 VanDerWaalsContact CA-OD2 3.28Å; T551-D710 WeakPolarHBondContact CA-OD2 3.37Å; T551-D710 WeakPolarHBondContact CB-OD2 3.28Å; T551-D710 HydrophobicContact CG2-CB 4.18Å; T551-D710 WeakPolarHBondContact CG2-OD2 3.45Å |
| 552 | L | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -37.9 | -177.7 | -178.3 | 64 | 0 | 0 | 0 | 111.3 | L555 I556 Y625 V629 L632 D710 H739 F742 W801 | L552-L555 PolarHBondContact O-N 2.85Å; L552-I556 HydrophobicContact CD1-CG1 4.22Å; L552-I556 HydrophobicContact CG-CG1 4.46Å; L552-I556 WeakPolarHBondContact O-CG1 3.19Å; L552-I556 PolarHBondContact O-N 3.19Å; L552-Y625 HydrophobicContact CB-CD1 4.5Å; L552-Y625 HydrophobicContact CB-CE1 4.33Å; L552-V629 HydrophobicContact CD1-CG2 4.13Å; L552-L632 HydrophobicContact CD1-CD1 4.43Å; L552-L632 HydrophobicContact CD2-CD1 4.28Å; L552-D710 WeakPolarHBondContact CB-OD1 3.44Å; L552-D710 PolarHBondContact N-OD1 2.68Å; L552-D710 PolarHBondContact N-OD2 3.03Å; L552-H739 HydrophobicContact CD2-CB 4.41Å; L552-F742 HydrophobicContact CD2-CD2 4.37Å; L552-F742 HydrophobicContact CD2-CE2 3.39Å; L552-F742 HydrophobicContact CD2-CZ 3.94Å; L552-W801 HydrophobicContact CB-CZ3 4.14Å; L552-W801 HydrophobicContact CD2-CE3 4.12Å; L552-W801 HydrophobicContact CD2-CH2 4.31Å; L552-W801 HydrophobicContact CD2-CZ3 3.81Å; L552-W801 HydrophobicContact CG-CE3 4.14Å; L552-W801 HydrophobicContact CG-CZ3 3.78Å |
| 553 | K | 93.2 | Very high | 93.3 | Very high | 83 Ų | 83 | 29.7 Ų | 29.7 | 36% | 0.361 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -53.7 | -57.3 | 174.9 | 179.3 | 175.8 | 176 | 174.1 | 0 | 111.5 | T551 L555 I556 E557 P800 W801 | T551-K553 PolarHBondContact O-N 3.19Å; K553-L555 VanDerWaalsContact C-N 3.31Å; K553-L555 PolarHBondContact O-N 3.04Å; K553-I556 PolarHBondContact O-N 2.81Å; K553-E557 WeakPolarHBondContact CE-OE1 3.42Å; K553-E557 WeakPolarHBondContact CG-OE1 3.5Å; K553-E557 WeakPolarHBondContact O-CG 3.14Å; K553-E557 PolarHBondContact O-N 2.89Å; K553-P800 HydrophobicContact CG-CG 3.85Å; K553-W801 HydrophobicContact CB-CZ3 4.39Å |
| 554 | S | 94.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.9 | -26 | -176.3 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | T551 L558 | T551-S554 PolarHBondContact O-N 2.85Å; T551-S554 WeakPolarHBondContact OG1-CB 3Å; T551-S554 PolarHBondContact OG1-OG 3.02Å; S554-L558 WeakPolarHBondContact O-CG 3.49Å; S554-L558 PolarHBondContact O-N 3.17Å; S554-L558 VanDerWaalsContact O-N 3.11Å |
| 555 | L | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 174 | -171.4 | 57.4 | 0 | 0 | 0 | 111.8 | T551 L552 K553 L558 C559 V587 L588 V629 | T551-L555 PolarHBondContact O-N 3.19Å; L552-L555 PolarHBondContact O-N 2.85Å; K553-L555 VanDerWaalsContact C-N 3.31Å; K553-L555 PolarHBondContact O-N 3.04Å; L555-L558 PolarHBondContact O-N 3.37Å; L555-C559 PolarHBondContact O-N 2.87Å; L555-C559 VanDerWaalsContact O-N 3.08Å; L555-C559 PolarHBondContact O-SG 2.86Å; L555-V587 HydrophobicContact CD1-CG1 4.01Å; L555-V587 HydrophobicContact CD2-CG1 4.29Å; L555-L588 HydrophobicContact CD1-CD1 4.39Å; L555-V629 HydrophobicContact CD2-CG2 3.68Å; L555-V629 HydrophobicContact CG-CG2 3.89Å |
| 556 | I | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.8 | -40.7 | 173.5 | -63 | -72.1 | 0 | 0 | 0 | 111.1 | L552 K553 L558 C559 L560 F595 V629 L632 P800 L804 | L552-I556 HydrophobicContact CD1-CG1 4.22Å; L552-I556 HydrophobicContact CG-CG1 4.46Å; L552-I556 WeakPolarHBondContact O-CG1 3.19Å; L552-I556 PolarHBondContact O-N 3.19Å; K553-I556 PolarHBondContact O-N 2.81Å; I556-L558 VanDerWaalsContact C-N 3.34Å; I556-L558 PolarHBondContact O-N 3.1Å; I556-C559 PolarHBondContact O-N 3Å; I556-L560 HydrophobicContact CG2-CD1 3.89Å; I556-L560 HydrophobicContact CG2-CG 4.25Å; I556-L560 WeakPolarHBondContact O-CB 3.13Å; I556-L560 WeakPolarHBondContact O-CG 3.18Å; I556-L560 PolarHBondContact O-N 3.07Å; I556-F595 HydrophobicContact CD1-CD2 4.24Å; I556-F595 HydrophobicContact CD1-CE2 4.07Å; I556-F595 HydrophobicContact CG2-CE2 4.31Å; I556-V629 HydrophobicContact CD1-CB 4.23Å; I556-V629 HydrophobicContact CD1-CG1 3.96Å; I556-V629 HydrophobicContact CD1-CG2 3.86Å; I556-L632 HydrophobicContact CD1-CD1 3.99Å; I556-L632 HydrophobicContact CG1-CD1 4.37Å; I556-P800 HydrophobicContact CB-CB 4.12Å; I556-P800 HydrophobicContact CG2-CB 3.59Å; I556-L804 HydrophobicContact CG2-CD2 4.28Å |
| 557 | E | 94.9 | Very high | 94.7 | Very high | 60 Ų | 60 | 29.3 Ų | 29.3 | 28% | 0.28 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -55.3 | -46.1 | 173.9 | -76.1 | 170.7 | -174.4 | 0 | 0 | 112.2 | K553 L560 N561 P800 | K553-E557 WeakPolarHBondContact CE-OE1 3.42Å; K553-E557 WeakPolarHBondContact CG-OE1 3.5Å; K553-E557 WeakPolarHBondContact O-CG 3.14Å; K553-E557 PolarHBondContact O-N 2.89Å; E557-L560 PolarHBondContact O-N 2.94Å; E557-N561 WeakPolarHBondContact O-CB 2.93Å; E557-N561 PolarHBondContact O-N 3.38Å; E557-P800 HydrophobicContact CG-CB 4.41Å; E557-P800 HydrophobicContact CG-CG 3.81Å |
| 558 | L | 96.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 176.7 | -74.7 | 167.3 | 0 | 0 | 0 | 112.2 | Y522 L524 R542 F544 S554 L555 I556 N561 A562 L588 | Y522-L558 HydrophobicContact CD1-CD2 4.12Å; L524-L558 HydrophobicContact CD2-CD1 3.88Å; R542-L558 HydrophobicContact CB-CD1 4Å; R542-L558 HydrophobicContact CB-CD2 4.33Å; R542-L558 HydrophobicContact CG-CD1 4.08Å; R542-L558 HydrophobicContact CG-CD2 3.86Å; R542-L558 HydrophobicContact CG-CG 4.11Å; F544-L558 HydrophobicContact CE2-CD1 3.53Å; F544-L558 HydrophobicContact CZ-CD1 3.57Å; S554-L558 WeakPolarHBondContact O-CG 3.49Å; S554-L558 PolarHBondContact O-N 3.17Å; S554-L558 VanDerWaalsContact O-N 3.11Å; L555-L558 PolarHBondContact O-N 3.37Å; I556-L558 VanDerWaalsContact C-N 3.34Å; I556-L558 PolarHBondContact O-N 3.1Å; L558-N561 PolarHBondContact O-N 2.94Å; L558-A562 WeakPolarHBondContact O-CB 3.44Å; L558-A562 PolarHBondContact O-N 3.48Å; L558-L588 HydrophobicContact CB-CD1 3.65Å; L558-L588 HydrophobicContact CB-CD2 4.33Å; L558-L588 HydrophobicContact CD1-CD1 4.49Å; L558-L588 HydrophobicContact CD1-CD2 4.47Å |
| 559 | C | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 176 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | L555 I556 R563 F595 | L555-C559 PolarHBondContact O-N 2.87Å; L555-C559 VanDerWaalsContact O-N 3.08Å; L555-C559 PolarHBondContact O-SG 2.86Å; I556-C559 PolarHBondContact O-N 3Å; C559-R563 WeakPolarHBondContact O-CB 3.48Å; C559-R563 PolarHBondContact O-N 3.45Å; C559-F595 HydrophobicContact CB-CB 4.01Å; C559-F595 HydrophobicContact CB-CD1 3.65Å; C559-F595 HydrophobicContact CB-CD2 4.14Å; C559-F595 HydrophobicContact CB-CE1 4.07Å; C559-F595 HydrophobicContact CB-CG 3.68Å; C559-F595 HydrophobicContact CB-CZ 4.5Å |
| 560 | L | 95 | Very high | 95 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 14% | 0.141 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 173.4 | -77.1 | 167.6 | 0 | 0 | 0 | 111.8 | I556 E557 R563 L564 F595 P800 P805 | I556-L560 HydrophobicContact CG2-CD1 3.89Å; I556-L560 HydrophobicContact CG2-CG 4.25Å; I556-L560 WeakPolarHBondContact O-CB 3.13Å; I556-L560 WeakPolarHBondContact O-CG 3.18Å; I556-L560 PolarHBondContact O-N 3.07Å; E557-L560 PolarHBondContact O-N 2.94Å; L560-R563 PolarHBondContact O-N 3.18Å; L560-L564 WeakPolarHBondContact O-CB 3.3Å; L560-L564 VanDerWaalsContact O-CG 3.3Å; L560-L564 WeakPolarHBondContact O-CG 3.09Å; L560-L564 PolarHBondContact O-N 3.19Å; L560-F595 HydrophobicContact CD2-CE1 3.97Å; L560-F595 HydrophobicContact CD2-CZ 3.64Å; L560-F595 HydrophobicContact CG-CE1 4.2Å; L560-F595 HydrophobicContact CG-CZ 3.82Å; L560-P800 HydrophobicContact CD1-CB 4.04Å; L560-P805 HydrophobicContact CD2-CG 3.97Å |
| 561 | N | 95.6 | Very high | 95 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 179.1 | -177.8 | -129.2 | 0 | 0 | 0 | 111.7 | Y522 S540 E557 L558 L564 W565 | Y522-N561 WeakPolarHBondContact CE1-OD1 3.4Å; S540-N561 PolarHBondContact OG-OD1 3.41Å; E557-N561 WeakPolarHBondContact O-CB 2.93Å; E557-N561 PolarHBondContact O-N 3.38Å; L558-N561 PolarHBondContact O-N 2.94Å; N561-L564 PolarHBondContact O-N 2.83Å; N561-W565 PolarHBondContact O-N 3.2Å |
| 562 | A | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y522 L558 L564 W565 L566 L592 | Y522-A562 HydrophobicContact CE1-CB 4.04Å; Y522-A562 WeakPolarHBondContact OH-CA 3.34Å; L558-A562 WeakPolarHBondContact O-CB 3.44Å; L558-A562 PolarHBondContact O-N 3.48Å; A562-L564 PolarHBondContact O-N 3.09Å; A562-W565 PolarHBondContact O-N 3.29Å; A562-L566 WeakPolarHBondContact O-CB 3.45Å; A562-L566 VanDerWaalsContact O-CG 3.29Å; A562-L566 WeakPolarHBondContact O-CG 3.45Å; A562-L566 PolarHBondContact O-N 2.85Å; A562-L592 HydrophobicContact CB-CD1 3.96Å; A562-L592 HydrophobicContact CB-CD2 3.71Å; A562-L592 HydrophobicContact CB-CG 4.48Å |
| 563 | R | 95.2 | Very high | 95.2 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 175.7 | -174.4 | -153.2 | 69.8 | 84.6 | 4.8 | 112.1 | C559 L560 L566 A567 F595 L809 L814 | C559-R563 WeakPolarHBondContact O-CB 3.48Å; C559-R563 PolarHBondContact O-N 3.45Å; L560-R563 PolarHBondContact O-N 3.18Å; R563-L566 PolarHBondContact O-N 2.59Å; R563-A567 WeakPolarHBondContact O-CB 3.13Å; R563-A567 PolarHBondContact O-N 2.78Å; R563-F595 HydrophobicContact CB-CE1 4.42Å; R563-L809 WeakPolarHBondContact CD-O 3.19Å; R563-L809 PolarHBondContact NH1-O 2.8Å; R563-L814 HydrophobicContact CG-CD1 3.56Å |
| 564 | L | 95.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 37.4 Ų | 37.4 | 47% | 0.466 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.3 | -78.4 | 166.2 | 0 | 0 | 0 | 111.3 | L560 N561 A562 A567 Q568 | L560-L564 WeakPolarHBondContact O-CB 3.3Å; L560-L564 VanDerWaalsContact O-CG 3.3Å; L560-L564 WeakPolarHBondContact O-CG 3.09Å; L560-L564 PolarHBondContact O-N 3.19Å; N561-L564 PolarHBondContact O-N 2.83Å; A562-L564 PolarHBondContact O-N 3.09Å; L564-A567 PolarHBondContact O-N 3.2Å; L564-Q568 PolarHBondContact O-N 3.04Å |
| 565 | W | 96.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 15% | 0.152 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 175.3 | 179 | -108.5 | 0 | 0 | 0 | 112.4 | Y519 A520 N561 A562 A567 Q568 N572 I573 | Y519-W565 VanDerWaalsContact C-CZ2 3.43Å; Y519-W565 VanDerWaalsContact O-CZ2 3.32Å; Y519-W565 WeakPolarHBondContact O-CZ2 3.36Å; A520-W565 HydrophobicContact CB-CD2 3.72Å; A520-W565 HydrophobicContact CB-CE3 4.41Å; A520-W565 HydrophobicContact CB-CG 3.85Å; A520-W565 HydrophobicContact CB-CZ2 4.16Å; N561-W565 PolarHBondContact O-N 3.2Å; A562-W565 PolarHBondContact O-N 3.29Å; W565-A567 PolarHBondContact O-N 2.79Å; W565-Q568 VanDerWaalsContact CE3-OE1 3.26Å; W565-Q568 PolarHBondContact O-N 3.27Å; W565-N572 HydrophobicContact CZ2-CB 4.43Å; W565-N572 PolarHBondContact O-ND2 3.37Å; W565-I573 PolarHBondContact NE1-O 3.3Å |
| 566 | L | 96.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -20.9 | 178.4 | -67.3 | 171.2 | 0 | 0 | 0 | 113.6 | R483 A562 R563 N572 L592 L814 | R483-L566 HydrophobicContact CB-CD2 4.04Å; R483-L566 PolarHBondContact NH1-O 2.91Å; R483-L566 PolarHBondContact NH2-O 3.06Å; A562-L566 WeakPolarHBondContact O-CB 3.45Å; A562-L566 VanDerWaalsContact O-CG 3.29Å; A562-L566 WeakPolarHBondContact O-CG 3.45Å; A562-L566 PolarHBondContact O-N 2.85Å; R563-L566 PolarHBondContact O-N 2.59Å; L566-N572 VanDerWaalsContact CD2-O 3.26Å; L566-N572 WeakPolarHBondContact CD2-O 3.26Å; L566-L592 HydrophobicContact CD1-CD2 4.15Å; L566-L814 HydrophobicContact CB-CB 4.37Å |
| 567 | A | 94.7 | Very high | 95.6 | Very high | 54 Ų | 54 | 36.8 Ų | 36.8 | 45% | 0.446 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -83.9 | -20.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | R563 L564 W565 L814 | R563-A567 WeakPolarHBondContact O-CB 3.13Å; R563-A567 PolarHBondContact O-N 2.78Å; L564-A567 PolarHBondContact O-N 3.2Å; W565-A567 PolarHBondContact O-N 2.79Å; A567-L814 HydrophobicContact CB-CD2 4.06Å |
| 568 | Q | 93.9 | Very high | 95.5 | Very high | 128 Ų | 128 | 34 Ų | 34 | 60% | 0.598 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -70.9 | -40.6 | -175.6 | -76.5 | 172.9 | -2.1 | 0 | 0 | 114 | L564 W565 | L564-Q568 PolarHBondContact O-N 3.04Å; W565-Q568 VanDerWaalsContact CE3-OE1 3.26Å; W565-Q568 PolarHBondContact O-N 3.27Å |
| 569 | K | 92.5 | Very high | 95.2 | Very high | 93 Ų | 93 | 38.6 Ų | 38.6 | 40% | 0.404 | 21% | 0.212 | S | C | . | . | trans | -138.4 | 147.4 | 174.9 | -47 | -179.1 | -171.4 | 168.8 | 0 | 109.4 | R483 D517 N571 N572 | R483-K569 PolarHBondContact NH2-O 3.42Å; D517-K569 PolarHBondContact O-NZ 2.89Å; K569-N571 VanDerWaalsContact C-N 3.28Å; K569-N571 WeakPolarHBondContact CB-OD1 3.34Å; K569-N571 PolarHBondContact O-N 2.94Å; K569-N572 HydrophobicContact CB-CB 4.37Å; K569-N572 WeakPolarHBondContact CD-OD1 3.23Å; K569-N572 WeakPolarHBondContact O-CB 3.38Å; K569-N572 PolarHBondContact O-N 3.41Å | ||
| 570 | S | 91.7 | Very high | 94.7 | Very high | 102 Ų | 102 | 41.9 Ų | 41.9 | 71% | 0.713 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -26.6 | 177.9 | 51 | 0 | 0 | 0 | 0 | 113.6 | R483 | R483-S570 PolarHBondContact NE-O 2.76Š|
| 571 | N | 93.2 | Very high | 94.3 | Very high | 89 Ų | 89 | 40.6 Ų | 40.6 | 48% | 0.476 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -3.3 | 176.4 | 68.9 | -32.1 | 0 | 0 | 0 | 114.2 | K569 I573 | K569-N571 VanDerWaalsContact C-N 3.28Å; K569-N571 WeakPolarHBondContact CB-OD1 3.34Å; K569-N571 PolarHBondContact O-N 2.94Å; N571-I573 PolarHBondContact O-N 2.96Å |
| 572 | N | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -62.8 | 136.5 | 179.2 | -86.1 | 3.4 | 0 | 0 | 0 | 110.9 | R483 A518 W565 L566 K569 | R483-N572 VanDerWaalsContact CZ-O 3.25Å; R483-N572 PolarHBondContact NE-O 3.15Å; R483-N572 PolarHBondContact NH2-O 3.11Å; A518-N572 WeakPolarHBondContact CA-OD1 3.44Å; A518-N572 CarbonylContact O-C 3.55Å; A518-N572 VanDerWaalsContact O-CA 3.26Å; A518-N572 WeakPolarHBondContact O-CA 3.5Å; W565-N572 HydrophobicContact CZ2-CB 4.43Å; W565-N572 PolarHBondContact O-ND2 3.37Å; L566-N572 VanDerWaalsContact CD2-O 3.26Å; L566-N572 WeakPolarHBondContact CD2-O 3.26Å; K569-N572 HydrophobicContact CB-CB 4.37Å; K569-N572 WeakPolarHBondContact CD-OD1 3.23Å; K569-N572 WeakPolarHBondContact O-CB 3.38Å; K569-N572 PolarHBondContact O-N 3.41Å | ||
| 573 | I | 97.8 | Very high | 94 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 151.9 | 173.5 | 71.8 | 169 | 0 | 0 | 0 | 111.6 | F479 R483 L511 F515 A518 Y519 A520 W565 N571 V575 | F479-I573 HydrophobicContact CE1-CD1 4.11Å; F479-I573 HydrophobicContact CZ-CD1 4.25Å; R483-I573 WeakPolarHBondContact O-CA 3.45Å; L511-I573 HydrophobicContact CD2-CD1 4.29Å; F515-I573 HydrophobicContact CB-CD1 4.36Å; F515-I573 HydrophobicContact CD1-CD1 3.93Å; F515-I573 HydrophobicContact CD1-CG1 4.39Å; F515-I573 HydrophobicContact CD1-CG2 4.16Å; F515-I573 HydrophobicContact CD2-CD1 3.65Å; F515-I573 HydrophobicContact CE1-CD1 4.13Å; F515-I573 HydrophobicContact CE1-CG2 4.22Å; F515-I573 HydrophobicContact CE2-CD1 3.87Å; F515-I573 HydrophobicContact CG-CD1 3.7Å; F515-I573 HydrophobicContact CG-CG1 4.3Å; F515-I573 HydrophobicContact CZ-CD1 4.11Å; A518-I573 PolarHBondContact O-N 3.48Å; Y519-I573 WeakPolarHBondContact CA-O 3.41Å; A520-I573 PolarHBondContact N-O 2.8Å; A520-I573 VanDerWaalsContact N-O 3.13Å; W565-I573 PolarHBondContact NE1-O 3.3Å; N571-I573 PolarHBondContact O-N 2.96Å; I573-V575 HydrophobicContact CD1-CG2 4.1Å; I573-V575 HydrophobicContact CG1-CG2 4.37Å |
| 574 | C | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132.1 | 166.9 | -70.6 | 0 | 0 | 0 | 0 | 109.8 | R483 A485 Y522 | R483-C574 PolarHBondContact O-N 3.24Å; A485-C574 PolarHBondContact N-O 3.48Å; Y522-C574 HydrophobicContact CD2-CB 4.19Å; Y522-C574 HydrophobicContact CE2-CB 3.88Å |
| 575 | V | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 108.6 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | F477 A485 T487 L511 A520 V521 Y522 I573 | F477-V575 HydrophobicContact CE2-CG1 3.67Å; F477-V575 HydrophobicContact CE2-CG2 4.17Å; F477-V575 HydrophobicContact CZ-CG1 4.28Å; F477-V575 HydrophobicContact CZ-CG2 4.05Å; A485-V575 HydrophobicContact CB-CG2 4.41Å; T487-V575 HydrophobicContact CG2-CG1 3.94Å; L511-V575 HydrophobicContact CD1-CG2 4.23Å; L511-V575 HydrophobicContact CD2-CG2 3.92Å; A520-V575 PolarHBondContact O-N 3.47Å; V521-V575 CarbonylContact C-O 3.58Å; V521-V575 VanDerWaalsContact CA-O 3.32Å; V521-V575 WeakPolarHBondContact CA-O 3.36Å; V521-V575 HydrophobicContact CG1-CG1 4.5Å; V521-V575 HydrophobicContact CG2-CB 4.32Å; Y522-V575 PolarHBondContact N-O 3.5Å; I573-V575 HydrophobicContact CD1-CG2 4.1Å; I573-V575 HydrophobicContact CG1-CG2 4.37Å |
| 576 | I | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.4 | -175.8 | -56.5 | 169.3 | 0 | 0 | 0 | 109.8 | I484 A485 V486 T487 Y522 L524 L588 A589 | I484-I576 HydrophobicContact CG2-CD1 3.94Å; A485-I576 PolarHBondContact O-N 3.13Å; V486-I576 VanDerWaalsContact CA-O 3.27Å; V486-I576 WeakPolarHBondContact CA-O 3.36Å; V486-I576 HydrophobicContact CG2-CB 4.4Å; T487-I576 PolarHBondContact N-O 3.15Å; Y522-I576 HydrophobicContact CD2-CG1 4.49Å; L524-I576 HydrophobicContact CD1-CG2 3.71Å; L524-I576 HydrophobicContact CG-CG2 4.34Å; I576-L588 HydrophobicContact CD1-CB 4.39Å; I576-L588 HydrophobicContact CD1-CD2 4.08Å; I576-L588 HydrophobicContact CD1-CG 3.99Å; I576-L588 HydrophobicContact CG1-CD2 4.16Å; I576-L588 HydrophobicContact CG2-CB 4.31Å; I576-L588 HydrophobicContact CG2-CD2 4.14Å; I576-A589 HydrophobicContact CD1-CB 4.02Å |
| 577 | H | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 156.7 | 173.1 | 78.3 | 89.7 | 0 | 0 | 0 | 114.6 | T487 F489 Y522 N523 L524 Y529 S585 | T487-H577 HydrophobicContact CG2-CB 3.78Å; T487-H577 WeakPolarHBondContact O-CA 3.46Å; T487-H577 WeakPolarHBondContact O-CB 3.3Å; F489-H577 AromaticContact CD2-CE1 3.65Å; F489-H577 AromaticContact CD2-ND1 3.76Å; F489-H577 AromaticContact CE2-CE1 3.98Å; Y522-H577 PolarHBondContact O-N 2.95Å; N523-H577 WeakPolarHBondContact CA-NE2 3.23Å; N523-H577 VanDerWaalsContact CB-NE2 3.31Å; N523-H577 WeakPolarHBondContact CB-NE2 3.44Å; N523-H577 PolarHBondContact OD1-CE1 3.24Å; L524-H577 WeakPolarHBondContact CB-O 3.16Å; L524-H577 PolarHBondContact N-O 3.26Å; Y529-H577 AromaticContact CE1-CE1 3.68Å; Y529-H577 AromaticContact CE1-NE2 3.58Å; Y529-H577 AromaticContact CZ-NE2 3.56Å; Y529-H577 PolarHBondContact OH-NE2 3.44Å; H577-S585 WeakPolarHBondContact CA-OG 3.49Å |
| 578 | C | 92.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | trans | -142.7 | 178.3 | 164.5 | 59.3 | 0 | 0 | 0 | 0 | 108.1 | S488 F489 L524 D580 G581 K582 L584 S585 | S488-C578 CarbonylContact C-O 3.49Å; F489-C578 PolarHBondContact N-O 2.86Å; F489-C578 VanDerWaalsContact N-O 3.17Å; L524-C578 HydrophobicContact CB-CB 4.31Å; C578-D580 PolarHBondContact O-N 3.04Å; C578-D580 PolarHBondContact SG-OD1 3.18Å; C578-G581 PolarHBondContact O-N 2.92Å; C578-K582 PolarHBondContact SG-N 3.13Å; C578-L584 HydrophobicContact CB-CB 3.75Å; C578-L584 HydrophobicContact CB-CD1 4.25Å; C578-S585 PolarHBondContact N-OG 3.2Å; C578-S585 PolarHBondContact SG-N 3.03Å; C578-S585 VanDerWaalsContact SG-N 3.44Å; C578-S585 PolarHBondContact SG-OG 3.31Å; C578-S585 VanDerWaalsContact SG-OG 3.34Å | ||
| 579 | T | 88.8 | Confident | 94.5 | Very high | 100 Ų | 100 | 28.1 Ų | 28.1 | 61% | 0.613 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -43.1 | -43.3 | -174.6 | -45.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 580 | D | 86.4 | Confident | 94.8 | Very high | 70 Ų | 70 | 23.7 Ų | 23.7 | 37% | 0.374 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -1.3 | -179.7 | 66.5 | -13.7 | 0 | 0 | 0 | 114 | C578 K582 | C578-D580 PolarHBondContact O-N 3.04Å; C578-D580 PolarHBondContact SG-OD1 3.18Å; D580-K582 PolarHBondContact O-N 3.25Å; D580-K582 PolarHBondContact OD1-N 2.97Å |
| 581 | G | 87.3 | Confident | 95.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 60.1 | 20.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V486 T487 C578 R613 | V486-G581 VanDerWaalsContact CG1-O 3.24Å; V486-G581 WeakPolarHBondContact CG1-O 3.13Å; T487-G581 WeakPolarHBondContact O-CA 3.19Å; C578-G581 PolarHBondContact O-N 2.92Å; G581-R613 PolarHBondContact O-NE 3.06Å |
| 582 | K | 91.3 | Very high | 95.4 | Very high | 97 Ų | 97 | 14.6 Ų | 14.6 | 42% | 0.422 | 8% | 0.078 | S | C | . | . | S | Bend | trans | -113.8 | -85.4 | -175.7 | -68.1 | 165.1 | -174.1 | 170.8 | 0 | 112.2 | C578 D580 S585 A586 | C578-K582 PolarHBondContact SG-N 3.13Å; D580-K582 PolarHBondContact O-N 3.25Å; D580-K582 PolarHBondContact OD1-N 2.97Å; K582-S585 PolarHBondContact O-N 3.06Å; K582-A586 VanDerWaalsContact O-CB 3.29Å; K582-A586 WeakPolarHBondContact O-CB 3.35Å; K582-A586 PolarHBondContact O-N 3.21Å |
| 583 | T | 94.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 14.6 Ų | 14.6 | 15% | 0.147 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.4 | -58.4 | -164.5 | -50.6 | 0 | 0 | 0 | 0 | 112.5 | S585 A586 V587 P616 L618 | T583-S585 PolarHBondContact O-N 2.77Å; T583-A586 PolarHBondContact O-N 3.44Å; T583-V587 PolarHBondContact O-N 2.88Å; T583-V587 VanDerWaalsContact O-N 3.11Å; T583-P616 WeakPolarHBondContact CA-O 3.08Å; T583-P616 PolarHBondContact OG1-O 3.33Å; T583-L618 HydrophobicContact CG2-CD2 3.7Å; T583-L618 VanDerWaalsContact O-CD2 3.23Å; T583-L618 WeakPolarHBondContact O-CD2 3.46Å |
| 584 | L | 96.2 | Very high | 95.3 | Very high | 6 Ų | 6 | 14.5 Ų | 14.5 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.6 | -35.9 | -178.3 | -68.6 | 170 | 0 | 0 | 0 | 112.6 | L524 F544 A546 C578 A586 V587 L588 | L524-L584 HydrophobicContact CB-CB 4.2Å; L524-L584 HydrophobicContact CD1-CB 4.36Å; L524-L584 VanDerWaalsContact CD1-O 3.3Å; L524-L584 WeakPolarHBondContact CD1-O 3.36Å; F544-L584 HydrophobicContact CB-CD1 4.03Å; F544-L584 HydrophobicContact CB-CD2 3.78Å; F544-L584 WeakPolarHBondContact O-CD1 3.32Å; A546-L584 HydrophobicContact CB-CD1 3.97Å; A546-L584 HydrophobicContact CB-CG 4.11Å; C578-L584 HydrophobicContact CB-CB 3.75Å; C578-L584 HydrophobicContact CB-CD1 4.25Å; L584-A586 VanDerWaalsContact C-N 3.29Å; L584-A586 PolarHBondContact O-N 3.21Å; L584-V587 WeakPolarHBondContact O-CB 3.28Å; L584-V587 PolarHBondContact O-N 2.99Å; L584-V587 VanDerWaalsContact O-N 3.14Å; L584-L588 PolarHBondContact O-N 3.49Å |
| 585 | S | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 173.3 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | H577 C578 K582 T583 L588 A589 | H577-S585 WeakPolarHBondContact CA-OG 3.49Å; C578-S585 PolarHBondContact N-OG 3.2Å; C578-S585 PolarHBondContact SG-N 3.03Å; C578-S585 VanDerWaalsContact SG-N 3.44Å; C578-S585 PolarHBondContact SG-OG 3.31Å; C578-S585 VanDerWaalsContact SG-OG 3.34Å; K582-S585 PolarHBondContact O-N 3.06Å; T583-S585 PolarHBondContact O-N 2.77Å; S585-L588 PolarHBondContact O-N 3.17Å; S585-A589 WeakPolarHBondContact O-CB 3.2Å; S585-A589 PolarHBondContact O-N 2.78Å |
| 586 | A | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.4 | -36.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K582 T583 L584 C590 F609 P616 L618 | K582-A586 VanDerWaalsContact O-CB 3.29Å; K582-A586 WeakPolarHBondContact O-CB 3.35Å; K582-A586 PolarHBondContact O-N 3.21Å; T583-A586 PolarHBondContact O-N 3.44Å; L584-A586 VanDerWaalsContact C-N 3.29Å; L584-A586 PolarHBondContact O-N 3.21Å; A586-C590 WeakPolarHBondContact O-CB 3.06Å; A586-C590 PolarHBondContact O-N 3.08Å; A586-C590 PolarHBondContact O-SG 3.24Å; A586-F609 VanDerWaalsContact CA-CE2 3.41Å; A586-F609 HydrophobicContact CB-CD1 3.98Å; A586-F609 HydrophobicContact CB-CD2 3.81Å; A586-F609 HydrophobicContact CB-CE1 3.87Å; A586-F609 HydrophobicContact CB-CE2 3.66Å; A586-F609 HydrophobicContact CB-CG 3.96Å; A586-F609 HydrophobicContact CB-CZ 3.7Å; A586-P616 HydrophobicContact CB-CB 3.37Å; A586-P616 HydrophobicContact CB-CG 3.61Å; A586-L618 HydrophobicContact CB-CD2 4.15Å |
| 587 | V | 97.9 | Very high | 95 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.3 | -51.8 | 174.1 | 176 | 0 | 0 | 0 | 0 | 110.8 | P550 L555 T583 L584 S591 L618 Q622 | P550-V587 HydrophobicContact CG-CG1 4.11Å; L555-V587 HydrophobicContact CD1-CG1 4.01Å; L555-V587 HydrophobicContact CD2-CG1 4.29Å; T583-V587 PolarHBondContact O-N 2.88Å; T583-V587 VanDerWaalsContact O-N 3.11Å; L584-V587 WeakPolarHBondContact O-CB 3.28Å; L584-V587 PolarHBondContact O-N 2.99Å; L584-V587 VanDerWaalsContact O-N 3.14Å; V587-S591 WeakPolarHBondContact O-CB 3.26Å; V587-S591 PolarHBondContact O-N 3.32Å; V587-S591 PolarHBondContact O-OG 3.4Å; V587-L618 HydrophobicContact CG2-CD2 3.7Å; V587-Q622 HydrophobicContact CG2-CB 3.93Å; V587-Q622 HydrophobicContact CG2-CG 3.85Å |
| 588 | L | 98.1 | Very high | 95 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -70.2 | -44.3 | 179.1 | -179 | 59 | 0 | 0 | 0 | 112.5 | Y522 L524 L555 L558 I576 L584 S585 C590 S591 L592 | Y522-L588 HydrophobicContact CD1-CD2 4.24Å; Y522-L588 HydrophobicContact CG-CD2 4.3Å; L524-L588 HydrophobicContact CD1-CB 3.71Å; L524-L588 HydrophobicContact CD1-CD2 4.12Å; L524-L588 HydrophobicContact CD2-CD2 4.08Å; L555-L588 HydrophobicContact CD1-CD1 4.39Å; L558-L588 HydrophobicContact CB-CD1 3.65Å; L558-L588 HydrophobicContact CB-CD2 4.33Å; L558-L588 HydrophobicContact CD1-CD1 4.49Å; L558-L588 HydrophobicContact CD1-CD2 4.47Å; I576-L588 HydrophobicContact CD1-CB 4.39Å; I576-L588 HydrophobicContact CD1-CD2 4.08Å; I576-L588 HydrophobicContact CD1-CG 3.99Å; I576-L588 HydrophobicContact CG1-CD2 4.16Å; I576-L588 HydrophobicContact CG2-CB 4.31Å; I576-L588 HydrophobicContact CG2-CD2 4.14Å; L584-L588 PolarHBondContact O-N 3.49Å; S585-L588 PolarHBondContact O-N 3.17Å; L588-C590 PolarHBondContact O-N 2.92Å; L588-S591 PolarHBondContact O-N 3.06Å; L588-L592 WeakPolarHBondContact O-CB 3.07Å; L588-L592 PolarHBondContact O-N 3.25Å |
| 589 | A | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | I484 I576 S585 L592 L593 F609 | I484-A589 HydrophobicContact CG2-CB 4.28Å; I576-A589 HydrophobicContact CD1-CB 4.02Å; S585-A589 WeakPolarHBondContact O-CB 3.2Å; S585-A589 PolarHBondContact O-N 2.78Å; A589-L592 PolarHBondContact O-N 3.49Å; A589-L593 VanDerWaalsContact O-CG 3.3Å; A589-L593 WeakPolarHBondContact O-CG 3.35Å; A589-L593 PolarHBondContact O-N 2.92Å; A589-F609 HydrophobicContact CB-CD2 4.05Å; A589-F609 HydrophobicContact CB-CE2 4.17Å |
| 590 | C | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.8 | -39 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | A586 L588 L593 C594 A605 I606 I626 | A586-C590 WeakPolarHBondContact O-CB 3.06Å; A586-C590 PolarHBondContact O-N 3.08Å; A586-C590 PolarHBondContact O-SG 3.24Å; L588-C590 PolarHBondContact O-N 2.92Å; C590-L593 PolarHBondContact O-N 3.24Å; C590-C594 PolarHBondContact O-N 2.86Å; C590-C594 PolarHBondContact O-SG 2.97Å; C590-A605 HydrophobicContact CB-CB 3.78Å; C590-A605 VanDerWaalsContact SG-C 3.59Å; C590-I606 HydrophobicContact CB-CG1 4.46Å; C590-I626 HydrophobicContact CB-CD1 3.94Å; C590-I626 HydrophobicContact CB-CG1 4.42Å; C590-I626 HydrophobicContact CB-CG2 4.04Å |
| 591 | S | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.4 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | V587 L588 C594 F595 | V587-S591 WeakPolarHBondContact O-CB 3.26Å; V587-S591 PolarHBondContact O-N 3.32Å; V587-S591 PolarHBondContact O-OG 3.4Å; L588-S591 PolarHBondContact O-N 3.06Å; S591-C594 PolarHBondContact O-N 3.24Å; S591-F595 WeakPolarHBondContact O-CB 3.45Å; S591-F595 PolarHBondContact O-N 3.46Å |
| 592 | L | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.7 | -40 | 178.3 | -178.6 | 59.3 | 0 | 0 | 0 | 112.3 | I484 A562 L566 L588 A589 F595 C596 | I484-L592 HydrophobicContact CD1-CD2 3.88Å; I484-L592 HydrophobicContact CD1-CG 4.25Å; I484-L592 HydrophobicContact CG1-CD2 4.28Å; A562-L592 HydrophobicContact CB-CD1 3.96Å; A562-L592 HydrophobicContact CB-CD2 3.71Å; A562-L592 HydrophobicContact CB-CG 4.48Å; L566-L592 HydrophobicContact CD1-CD2 4.15Å; L588-L592 WeakPolarHBondContact O-CB 3.07Å; L588-L592 PolarHBondContact O-N 3.25Å; A589-L592 PolarHBondContact O-N 3.49Å; L592-F595 PolarHBondContact O-N 2.64Å; L592-C596 WeakPolarHBondContact O-CB 3.46Å; L592-C596 PolarHBondContact O-N 2.88Å |
| 593 | L | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 173.6 | -71.4 | 167.3 | 0 | 0 | 0 | 111.8 | T481 I484 A589 C590 R597 V598 F599 A605 L608 C815 | T481-L593 HydrophobicContact CG2-CD2 4.04Å; I484-L593 HydrophobicContact CD1-CD2 4Å; I484-L593 HydrophobicContact CD1-CG 4.26Å; A589-L593 VanDerWaalsContact O-CG 3.3Å; A589-L593 WeakPolarHBondContact O-CG 3.35Å; A589-L593 PolarHBondContact O-N 2.92Å; C590-L593 PolarHBondContact O-N 3.24Å; L593-R597 PolarHBondContact O-N 3.3Å; L593-V598 HydrophobicContact CB-CB 4.37Å; L593-V598 HydrophobicContact CD2-CB 4.22Å; L593-V598 HydrophobicContact CD2-CG1 4.28Å; L593-V598 HydrophobicContact CD2-CG2 3.98Å; L593-V598 VanDerWaalsContact O-CB 3.3Å; L593-V598 WeakPolarHBondContact O-CB 3.45Å; L593-V598 WeakPolarHBondContact O-CG2 3.3Å; L593-V598 PolarHBondContact O-N 2.83Å; L593-F599 HydrophobicContact CB-CD2 4.22Å; L593-F599 HydrophobicContact CD1-CE2 4.43Å; L593-A605 HydrophobicContact CB-CB 4.44Å; L593-A605 HydrophobicContact CD1-CB 4.4Å; L593-L608 HydrophobicContact CD1-CD2 4.04Å; L593-C815 HydrophobicContact CD2-CB 4.06Å |
| 594 | C | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71.7 | -36 | 175 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | C590 S591 R597 F599 A630 S633 H634 | C590-C594 PolarHBondContact O-N 2.86Å; C590-C594 PolarHBondContact O-SG 2.97Å; S591-C594 PolarHBondContact O-N 3.24Å; C594-R597 WeakPolarHBondContact O-CA 3.36Å; C594-R597 PolarHBondContact O-N 3.31Å; C594-F599 WeakPolarHBondContact CA-O 3.26Å; C594-A630 HydrophobicContact CB-CB 3.69Å; C594-S633 PolarHBondContact O-OG 2.82Å; C594-H634 PolarHBondContact O-CE1 3.07Å; C594-H634 VanDerWaalsContact O-CE1 3.27Å |
| 595 | F | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 179.7 | -168.9 | -109.5 | 0 | 0 | 0 | 112 | I556 C559 L560 R563 S591 L592 R597 V629 S633 L804 L810 | I556-F595 HydrophobicContact CD1-CD2 4.24Å; I556-F595 HydrophobicContact CD1-CE2 4.07Å; I556-F595 HydrophobicContact CG2-CE2 4.31Å; C559-F595 HydrophobicContact CB-CB 4.01Å; C559-F595 HydrophobicContact CB-CD1 3.65Å; C559-F595 HydrophobicContact CB-CD2 4.14Å; C559-F595 HydrophobicContact CB-CE1 4.07Å; C559-F595 HydrophobicContact CB-CG 3.68Å; C559-F595 HydrophobicContact CB-CZ 4.5Å; L560-F595 HydrophobicContact CD2-CE1 3.97Å; L560-F595 HydrophobicContact CD2-CZ 3.64Å; L560-F595 HydrophobicContact CG-CE1 4.2Å; L560-F595 HydrophobicContact CG-CZ 3.82Å; R563-F595 HydrophobicContact CB-CE1 4.42Å; S591-F595 WeakPolarHBondContact O-CB 3.45Å; S591-F595 PolarHBondContact O-N 3.46Å; L592-F595 PolarHBondContact O-N 2.64Å; F595-R597 PolarHBondContact O-N 3.04Å; F595-V629 HydrophobicContact CB-CG1 3.95Å; F595-V629 HydrophobicContact CD2-CG1 3.93Å; F595-V629 HydrophobicContact CG-CG1 4.4Å; F595-S633 VanDerWaalsContact O-CB 3.31Å; F595-S633 WeakPolarHBondContact O-CB 3.43Å; F595-L804 HydrophobicContact CE2-CD2 3.54Å; F595-L804 HydrophobicContact CZ-CD2 3.64Å; F595-L810 HydrophobicContact CD1-CD2 4.25Å; F595-L810 HydrophobicContact CE1-CD2 3.89Å; F595-L810 HydrophobicContact CZ-CD2 4.13Å |
| 596 | C | 95.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 18.5 | 170.3 | -63 | 0 | 0 | 0 | 0 | 113 | L592 V598 L810 S811 P812 C815 | L592-C596 WeakPolarHBondContact O-CB 3.46Å; L592-C596 PolarHBondContact O-N 2.88Å; C596-V598 PolarHBondContact O-N 3.47Å; C596-L810 CarbonylContact C-O 3.53Å; C596-L810 VanDerWaalsContact C-O 3.29Å; C596-S811 CarbonylContact O-C 3.57Å; C596-P812 WeakPolarHBondContact O-CA 3.34Å; C596-P812 WeakPolarHBondContact O-CD 3.37Å; C596-P812 WeakPolarHBondContact O-CG 3.46Å; C596-C815 WeakPolarHBondContact CB-SG 3.1Å |
| 597 | R | 94 | Very high | 96.4 | Very high | 64 Ų | 64 | 15.2 Ų | 15.2 | 24% | 0.242 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 26.1 | 168.8 | -49.2 | -178.6 | 74.9 | 146.8 | 2.5 | 115.4 | L593 C594 F595 F599 S633 H634 N807 L810 P812 | L593-R597 PolarHBondContact O-N 3.3Å; C594-R597 WeakPolarHBondContact O-CA 3.36Å; C594-R597 PolarHBondContact O-N 3.31Å; F595-R597 PolarHBondContact O-N 3.04Å; R597-F599 VanDerWaalsContact C-N 3.26Å; R597-S633 WeakPolarHBondContact CD-O 3.21Å; R597-S633 PolarHBondContact NE-O 2.7Å; R597-S633 PolarHBondContact NH1-O 3.15Å; R597-H634 PolarHBondContact NH2-O 2.93Å; R597-H634 VanDerWaalsContact NH2-O 3.12Å; R597-N807 PolarHBondContact NH1-OD1 3.22Å; R597-L810 HydrophobicContact CG-CB 4.21Å; R597-P812 HydrophobicContact CB-CG 4.42Å; R597-P812 WeakPolarHBondContact O-CG 3.3Å |
| 598 | V | 94.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 15.1 Ų | 15.1 | 3% | 0.03 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -68.3 | -32.4 | 170.8 | -173.4 | 0 | 0 | 0 | 0 | 110 | L593 C596 P812 C815 L822 I825 L826 | L593-V598 HydrophobicContact CB-CB 4.37Å; L593-V598 HydrophobicContact CD2-CB 4.22Å; L593-V598 HydrophobicContact CD2-CG1 4.28Å; L593-V598 HydrophobicContact CD2-CG2 3.98Å; L593-V598 VanDerWaalsContact O-CB 3.3Å; L593-V598 WeakPolarHBondContact O-CB 3.45Å; L593-V598 WeakPolarHBondContact O-CG2 3.3Å; L593-V598 PolarHBondContact O-N 2.83Å; C596-V598 PolarHBondContact O-N 3.47Å; V598-P812 HydrophobicContact CG2-CB 4.02Å; V598-C815 HydrophobicContact CG2-CB 4Å; V598-L822 HydrophobicContact CG1-CD1 4.18Å; V598-I825 HydrophobicContact CG1-CG2 4.25Å; V598-L826 WeakPolarHBondContact O-CD2 3.48Å |
| 599 | F | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -141.5 | 143.6 | 178.1 | -61.1 | -61.2 | 0 | 0 | 0 | 111.6 | L593 C594 R597 N601 P604 A605 L608 H634 I825 | L593-F599 HydrophobicContact CB-CD2 4.22Å; L593-F599 HydrophobicContact CD1-CE2 4.43Å; C594-F599 WeakPolarHBondContact CA-O 3.26Å; R597-F599 VanDerWaalsContact C-N 3.26Å; F599-N601 VanDerWaalsContact C-N 3.29Å; F599-N601 PolarHBondContact O-N 3.18Å; F599-P604 HydrophobicContact CB-CG 3.84Å; F599-P604 HydrophobicContact CD1-CB 3.62Å; F599-P604 HydrophobicContact CD1-CG 3.51Å; F599-P604 HydrophobicContact CD2-CG 4.48Å; F599-P604 HydrophobicContact CE1-CB 3.72Å; F599-P604 HydrophobicContact CE1-CG 4.16Å; F599-P604 HydrophobicContact CG-CB 4.08Å; F599-P604 HydrophobicContact CG-CG 3.7Å; F599-P604 HydrophobicContact CZ-CB 4.23Å; F599-A605 HydrophobicContact CD2-CB 3.68Å; F599-A605 HydrophobicContact CE2-CB 4.24Å; F599-A605 HydrophobicContact CG-CB 4.48Å; F599-L608 HydrophobicContact CE2-CB 4.42Å; F599-L608 HydrophobicContact CE2-CD2 3.95Å; F599-L608 HydrophobicContact CZ-CD2 4.22Å; F599-H634 PolarHBondContact O-CE1 3.49Å; F599-H634 VanDerWaalsContact O-CE1 3.22Å; F599-I825 HydrophobicContact CE1-CG2 4.26Å; F599-I825 HydrophobicContact CE2-CG2 4.31Å; F599-I825 HydrophobicContact CZ-CG2 3.56Å | ||
| 600 | D | 91.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 16.7 Ų | 16.7 | 44% | 0.444 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -78 | -14.3 | -177.9 | -53.5 | -26.5 | 0 | 0 | 0 | 112.7 | A630 H634 N833 | D600-A630 WeakPolarHBondContact O-CB 3.35Å; D600-H634 IonicContact OD1-CD2 2.78Å; D600-H634 IonicContact OD1-NE2 2.94Å; D600-H634 PolarHBondContact OD1-NE2 2.98Å; D600-N833 WeakPolarHBondContact OD2-CB 3.34Å; D600-N833 VanDerWaalsContact OD2-CG 3.27Å; D600-N833 PolarHBondContact OD2-ND2 3.47Å |
| 601 | N | 94.5 | Very high | 95.9 | Very high | 24 Ų | 24 | 19.9 Ų | 19.9 | 13% | 0.128 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -157.2 | 169.7 | -179.7 | 70.5 | 84.6 | 0 | 0 | 0 | 112.2 | F599 S603 P604 S836 | F599-N601 VanDerWaalsContact C-N 3.29Å; F599-N601 PolarHBondContact O-N 3.18Å; N601-S603 VanDerWaalsContact C-N 3.34Å; N601-S603 PolarHBondContact O-N 3.14Å; N601-S603 VanDerWaalsContact OD1-CB 3.31Å; N601-S603 WeakPolarHBondContact OD1-CB 3.37Å; N601-S603 PolarHBondContact OD1-N 3.42Å; N601-P604 WeakPolarHBondContact O-CD 3.49Å; N601-P604 WeakPolarHBondContact OD1-CD 3.39Å; N601-S836 PolarHBondContact ND2-OG 2.78Å; N601-S836 VanDerWaalsContact ND2-OG 3.08Å |
| 602 | A | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.8 | -28.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A605 I606 I623 I626 N627 | A602-A605 PolarHBondContact O-N 3.1Å; A602-I606 HydrophobicContact CB-CD1 3.9Å; A602-I606 WeakPolarHBondContact O-CB 3.26Å; A602-I606 WeakPolarHBondContact O-CD1 3.47Å; A602-I606 VanDerWaalsContact O-CG1 3.22Å; A602-I606 WeakPolarHBondContact O-CG1 3.47Å; A602-I606 PolarHBondContact O-N 2.87Å; A602-I623 HydrophobicContact CB-CG2 4.1Å; A602-I626 HydrophobicContact CB-CB 3.74Å; A602-I626 HydrophobicContact CB-CD1 4.48Å; A602-I626 HydrophobicContact CB-CG2 3.45Å; A602-I626 VanDerWaalsContact CB-CG2 3.45Å; A602-N627 VanDerWaalsContact CB-OD1 3.23Å; A602-N627 WeakPolarHBondContact CB-OD1 3.3Å; A602-N627 PolarHBondContact N-OD1 3.38Å |
| 603 | S | 95.6 | Very high | 95.3 | Very high | 54 Ų | 54 | 25.9 Ų | 25.9 | 38% | 0.378 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.2 | -56.4 | -168.4 | -171.5 | 0 | 0 | 0 | 0 | 113.9 | N601 A605 I606 Q607 | N601-S603 VanDerWaalsContact C-N 3.34Å; N601-S603 PolarHBondContact O-N 3.14Å; N601-S603 VanDerWaalsContact OD1-CB 3.31Å; N601-S603 WeakPolarHBondContact OD1-CB 3.37Å; N601-S603 PolarHBondContact OD1-N 3.42Å; S603-A605 VanDerWaalsContact C-N 3.3Å; S603-A605 PolarHBondContact O-N 3.27Å; S603-I606 PolarHBondContact O-N 2.92Å; S603-Q607 WeakPolarHBondContact O-CG 3.29Å; S603-Q607 PolarHBondContact O-N 3.03Å; S603-Q607 PolarHBondContact OG-NE2 3.06Å |
| 604 | P | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.5 | -29.6 | 177 | 27.7 | -37.1 | 0 | 0 | 0 | 113.3 | F599 N601 Q607 L608 Y829 F832 | F599-P604 HydrophobicContact CB-CG 3.84Å; F599-P604 HydrophobicContact CD1-CB 3.62Å; F599-P604 HydrophobicContact CD1-CG 3.51Å; F599-P604 HydrophobicContact CD2-CG 4.48Å; F599-P604 HydrophobicContact CE1-CB 3.72Å; F599-P604 HydrophobicContact CE1-CG 4.16Å; F599-P604 HydrophobicContact CG-CB 4.08Å; F599-P604 HydrophobicContact CG-CG 3.7Å; F599-P604 HydrophobicContact CZ-CB 4.23Å; N601-P604 WeakPolarHBondContact O-CD 3.49Å; N601-P604 WeakPolarHBondContact OD1-CD 3.39Å; P604-Q607 PolarHBondContact O-N 2.6Å; P604-L608 PolarHBondContact O-N 3.12Å; P604-Y829 WeakPolarHBondContact CB-O 3.5Å; P604-F832 HydrophobicContact CB-CB 4.25Å |
| 605 | A | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C590 L593 F599 A602 S603 Q607 L608 F609 | C590-A605 HydrophobicContact CB-CB 3.78Å; C590-A605 VanDerWaalsContact SG-C 3.59Å; L593-A605 HydrophobicContact CB-CB 4.44Å; L593-A605 HydrophobicContact CD1-CB 4.4Å; F599-A605 HydrophobicContact CD2-CB 3.68Å; F599-A605 HydrophobicContact CE2-CB 4.24Å; F599-A605 HydrophobicContact CG-CB 4.48Å; A602-A605 PolarHBondContact O-N 3.1Å; S603-A605 VanDerWaalsContact C-N 3.3Å; S603-A605 PolarHBondContact O-N 3.27Å; A605-Q607 VanDerWaalsContact C-N 3.34Å; A605-L608 PolarHBondContact O-N 3.04Å; A605-F609 PolarHBondContact O-N 3.19Å |
| 606 | I | 96.8 | Very high | 94.3 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.5 | -36.6 | 175.3 | -66.2 | 161.6 | 0 | 0 | 0 | 110.9 | C590 A602 S603 F609 A610 P616 L618 I623 I626 | C590-I606 HydrophobicContact CB-CG1 4.46Å; A602-I606 HydrophobicContact CB-CD1 3.9Å; A602-I606 WeakPolarHBondContact O-CB 3.26Å; A602-I606 WeakPolarHBondContact O-CD1 3.47Å; A602-I606 VanDerWaalsContact O-CG1 3.22Å; A602-I606 WeakPolarHBondContact O-CG1 3.47Å; A602-I606 PolarHBondContact O-N 2.87Å; S603-I606 PolarHBondContact O-N 2.92Å; I606-F609 PolarHBondContact O-N 2.86Å; I606-A610 WeakPolarHBondContact O-CB 3.42Å; I606-A610 PolarHBondContact O-N 3.35Å; I606-P616 HydrophobicContact CG2-CG 4.36Å; I606-L618 HydrophobicContact CD1-CD1 3.81Å; I606-L618 HydrophobicContact CG1-CD1 3.89Å; I606-I623 HydrophobicContact CD1-CD1 4.42Å; I606-I623 HydrophobicContact CD1-CG1 3.89Å; I606-I623 HydrophobicContact CD1-CG2 4.4Å; I606-I626 HydrophobicContact CD1-CD1 4.38Å |
| 607 | Q | 95.3 | Very high | 94 | Very high | 58 Ų | 58 | 36.3 Ų | 36.3 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.1 | -42 | 175.1 | -69.3 | 175.8 | 33.1 | 0 | 0 | 112.5 | S603 P604 A605 A610 S611 Y829 | S603-Q607 WeakPolarHBondContact O-CG 3.29Å; S603-Q607 PolarHBondContact O-N 3.03Å; S603-Q607 PolarHBondContact OG-NE2 3.06Å; P604-Q607 PolarHBondContact O-N 2.6Å; A605-Q607 VanDerWaalsContact C-N 3.34Å; Q607-A610 PolarHBondContact O-N 2.81Å; Q607-S611 PolarHBondContact O-N 2.71Å; Q607-S611 PolarHBondContact O-OG 2.85Å; Q607-Y829 HydrophobicContact CB-CD1 3.93Å; Q607-Y829 HydrophobicContact CB-CE1 4.33Å |
| 608 | L | 96.2 | Very high | 94 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 173.4 | 175.7 | 64.6 | 0 | 0 | 0 | 111.6 | I480 T481 L593 F599 P604 A605 S611 K612 I825 Y829 | I480-L608 HydrophobicContact CG2-CD2 4.47Å; I480-L608 HydrophobicContact CG2-CG 4.17Å; T481-L608 HydrophobicContact CG2-CD2 4.21Å; L593-L608 HydrophobicContact CD1-CD2 4.04Å; F599-L608 HydrophobicContact CE2-CB 4.42Å; F599-L608 HydrophobicContact CE2-CD2 3.95Å; F599-L608 HydrophobicContact CZ-CD2 4.22Å; P604-L608 PolarHBondContact O-N 3.12Å; A605-L608 PolarHBondContact O-N 3.04Å; L608-S611 PolarHBondContact O-OG 2.86Å; L608-K612 VanDerWaalsContact O-CG 3.26Å; L608-K612 WeakPolarHBondContact O-CG 3.18Å; L608-K612 PolarHBondContact O-N 2.92Å; L608-I825 HydrophobicContact CD1-CG1 4.45Å; L608-I825 HydrophobicContact CD2-CD1 4.41Å; L608-I825 HydrophobicContact CD2-CG2 3.92Å; L608-Y829 HydrophobicContact CB-CD1 4.27Å; L608-Y829 HydrophobicContact CB-CD2 4.39Å; L608-Y829 HydrophobicContact CB-CE1 4.39Å; L608-Y829 HydrophobicContact CB-CG 4.28Å; L608-Y829 HydrophobicContact CD1-CD2 4.03Å; L608-Y829 HydrophobicContact CD1-CE2 3.65Å |
| 609 | F | 96.6 | Very high | 94 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 172.7 | -169.6 | -74.5 | 0 | 0 | 0 | 110.8 | I480 V486 A586 A589 A605 I606 S611 K612 R613 P616 | I480-F609 HydrophobicContact CD1-CD2 3.88Å; I480-F609 HydrophobicContact CD1-CE2 4.07Å; I480-F609 HydrophobicContact CD1-CG 4.24Å; I480-F609 HydrophobicContact CG1-CD2 4.09Å; I480-F609 HydrophobicContact CG1-CE2 4.3Å; V486-F609 HydrophobicContact CG1-CE2 4.3Å; V486-F609 HydrophobicContact CG1-CZ 4.19Å; V486-F609 HydrophobicContact CG2-CE2 3.92Å; A586-F609 VanDerWaalsContact CA-CE2 3.41Å; A586-F609 HydrophobicContact CB-CD1 3.98Å; A586-F609 HydrophobicContact CB-CD2 3.81Å; A586-F609 HydrophobicContact CB-CE1 3.87Å; A586-F609 HydrophobicContact CB-CE2 3.66Å; A586-F609 HydrophobicContact CB-CG 3.96Å; A586-F609 HydrophobicContact CB-CZ 3.7Å; A589-F609 HydrophobicContact CB-CD2 4.05Å; A589-F609 HydrophobicContact CB-CE2 4.17Å; A605-F609 PolarHBondContact O-N 3.19Å; I606-F609 PolarHBondContact O-N 2.86Å; F609-S611 PolarHBondContact O-N 2.9Å; F609-K612 PolarHBondContact O-N 3.38Å; F609-K612 VanDerWaalsContact O-N 3.15Å; F609-R613 HydrophobicContact CD1-CB 4.31Å; F609-R613 HydrophobicContact CE1-CB 3.89Å; F609-R613 HydrophobicContact CE1-CG 4.31Å; F609-R613 HydrophobicContact CZ-CB 4.35Å; F609-R613 PolarHBondContact O-N 2.75Å; F609-P616 HydrophobicContact CD1-CB 4.05Å; F609-P616 HydrophobicContact CD1-CG 3.92Å; F609-P616 HydrophobicContact CE1-CB 3.87Å; F609-P616 HydrophobicContact CE1-CG 4.27Å |
| 610 | A | 95.2 | Very high | 94 | Very high | 32 Ų | 32 | 36 Ų | 36 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.8 | -33 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I606 Q607 K612 G614 | I606-A610 WeakPolarHBondContact O-CB 3.42Å; I606-A610 PolarHBondContact O-N 3.35Å; Q607-A610 PolarHBondContact O-N 2.81Å; A610-K612 VanDerWaalsContact C-N 3.26Å; A610-K612 PolarHBondContact O-N 3.27Å; A610-G614 WeakPolarHBondContact CA-O 3.16Å; A610-G614 WeakPolarHBondContact O-CA 3.36Å; A610-G614 PolarHBondContact O-N 2.69Å |
| 611 | S | 94.3 | Very high | 94.3 | Very high | 68 Ų | 68 | 32.1 Ų | 32.1 | 48% | 0.476 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -73.2 | -17.5 | 174.6 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | Q607 L608 F609 Y829 | Q607-S611 PolarHBondContact O-N 2.71Å; Q607-S611 PolarHBondContact O-OG 2.85Å; L608-S611 PolarHBondContact O-OG 2.86Å; F609-S611 PolarHBondContact O-N 2.9Å; S611-Y829 WeakPolarHBondContact CB-OH 3.31Å; S611-Y829 PolarHBondContact OG-OH 3.49Å |
| 612 | K | 93.5 | Very high | 94.4 | Very high | 96 Ų | 96 | 31 Ų | 31 | 42% | 0.417 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -98.8 | -40.7 | 178.6 | -64.7 | -69.3 | -174.1 | 179.7 | 0 | 113.6 | Q478 I480 L608 F609 A610 | Q478-K612 HydrophobicContact CG-CB 4.41Å; Q478-K612 WeakPolarHBondContact CG-O 3.11Å; I480-K612 HydrophobicContact CD1-CB 3.81Å; L608-K612 VanDerWaalsContact O-CG 3.26Å; L608-K612 WeakPolarHBondContact O-CG 3.18Å; L608-K612 PolarHBondContact O-N 2.92Å; F609-K612 PolarHBondContact O-N 3.38Å; F609-K612 VanDerWaalsContact O-N 3.15Å; A610-K612 VanDerWaalsContact C-N 3.26Å; A610-K612 PolarHBondContact O-N 3.27Å |
| 613 | R | 91.1 | Very high | 94.4 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 11% | 0.109 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -130.7 | 10.4 | -169.6 | -161.6 | 164.9 | 170.6 | 74.6 | 13.8 | 114.1 | D476 Q478 I480 V486 G581 F609 | D476-R613 IonicContact OD1-CZ 3.43Å; D476-R613 VanDerWaalsContact OD1-CZ 3.28Å; D476-R613 IonicContact OD1-NH1 3.56Å; D476-R613 PolarHBondContact OD1-NH1 2.86Å; D476-R613 IonicContact OD1-NH2 4Å; D476-R613 PolarHBondContact OD1-NH2 3.47Å; D476-R613 IonicContact OD2-CZ 3.86Å; D476-R613 IonicContact OD2-NH1 3.16Å; D476-R613 IonicContact OD2-NH2 2.72Å; D476-R613 PolarHBondContact OD2-NH2 3.5Å; Q478-R613 HydrophobicContact CG-CB 4.33Å; I480-R613 HydrophobicContact CD1-CB 4.02Å; V486-R613 PolarHBondContact O-NH1 3.43Å; G581-R613 PolarHBondContact O-NE 3.06Å; F609-R613 HydrophobicContact CD1-CB 4.31Å; F609-R613 HydrophobicContact CE1-CB 3.89Å; F609-R613 HydrophobicContact CE1-CG 4.31Å; F609-R613 HydrophobicContact CZ-CB 4.35Å; F609-R613 PolarHBondContact O-N 2.75Å |
| 614 | G | 88.6 | Confident | 94.6 | Very high | 36 Ų | 36 | 33 Ų | 33 | 37% | 0.371 | 20% | 0.198 | S | C | . | . | trans | 79.2 | 163.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A610 P616 | A610-G614 WeakPolarHBondContact CA-O 3.16Å; A610-G614 WeakPolarHBondContact O-CA 3.36Å; A610-G614 PolarHBondContact O-N 2.69Å; G614-P616 VanDerWaalsContact O-CD 3.31Å; G614-P616 WeakPolarHBondContact O-CD 3.2Å | ||
| 615 | N | 89.1 | Confident | 94.7 | Very high | 128 Ų | 128 | 33 Ų | 33 | 68% | 0.684 | 20% | 0.198 | S | C | * | . | trans | -59.6 | 118.8 | -177 | -177 | -11.3 | 0 | 0 | 0 | 111 | G617 | N615-G617 PolarHBondContact O-N 3.21Å; N615-G617 PolarHBondContact OD1-N 2.94Å | ||
| 616 | P | 91.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | trans | -75.7 | -3.6 | -176.8 | 30.2 | -36 | 0 | 0 | 0 | 115 | T583 A586 I606 F609 G614 L618 | T583-P616 WeakPolarHBondContact CA-O 3.08Å; T583-P616 PolarHBondContact OG1-O 3.33Å; A586-P616 HydrophobicContact CB-CB 3.37Å; A586-P616 HydrophobicContact CB-CG 3.61Å; I606-P616 HydrophobicContact CG2-CG 4.36Å; F609-P616 HydrophobicContact CD1-CB 4.05Å; F609-P616 HydrophobicContact CD1-CG 3.92Å; F609-P616 HydrophobicContact CE1-CB 3.87Å; F609-P616 HydrophobicContact CE1-CG 4.27Å; G614-P616 VanDerWaalsContact O-CD 3.31Å; G614-P616 WeakPolarHBondContact O-CD 3.2Å; P616-L618 VanDerWaalsContact C-N 3.31Å; P616-L618 HydrophobicContact CB-CD2 4.44Å; P616-L618 HydrophobicContact CB-CG 4.44Å; P616-L618 HydrophobicContact CG-CG 4.1Å; P616-L618 PolarHBondContact O-N 3.03Å | ||
| 617 | G | 89.7 | Confident | 94.8 | Very high | 53 Ų | 53 | 34.6 Ų | 34.6 | 55% | 0.546 | 21% | 0.206 | S | C | . | . | trans | 66 | 29.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N615 | N615-G617 PolarHBondContact O-N 3.21Å; N615-G617 PolarHBondContact OD1-N 2.94Å | ||
| 618 | L | 93.7 | Very high | 94.9 | Very high | 23 Ų | 23 | 33 Ų | 33 | 12% | 0.12 | 20% | 0.198 | C | C | . | . | trans | -57.9 | 139 | -179.6 | -62.1 | -171.6 | 0 | 0 | 0 | 111.7 | T583 A586 V587 I606 P616 Q622 I623 I626 | T583-L618 HydrophobicContact CG2-CD2 3.7Å; T583-L618 VanDerWaalsContact O-CD2 3.23Å; T583-L618 WeakPolarHBondContact O-CD2 3.46Å; A586-L618 HydrophobicContact CB-CD2 4.15Å; V587-L618 HydrophobicContact CG2-CD2 3.7Å; I606-L618 HydrophobicContact CD1-CD1 3.81Å; I606-L618 HydrophobicContact CG1-CD1 3.89Å; P616-L618 VanDerWaalsContact C-N 3.31Å; P616-L618 HydrophobicContact CB-CD2 4.44Å; P616-L618 HydrophobicContact CB-CG 4.44Å; P616-L618 HydrophobicContact CG-CG 4.1Å; P616-L618 PolarHBondContact O-N 3.03Å; L618-Q622 HydrophobicContact CB-CB 4.27Å; L618-Q622 HydrophobicContact CD2-CB 4.39Å; L618-I623 HydrophobicContact CB-CD1 4.36Å; L618-I623 HydrophobicContact CB-CG1 3.95Å; L618-I623 HydrophobicContact CD1-CG1 4.37Å; L618-I626 HydrophobicContact CD1-CD1 3.55Å | ||
| 619 | N | 94.2 | Very high | 94.9 | Very high | 23 Ų | 23 | 32.9 Ų | 32.9 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | trans | -81.3 | 165.4 | 171.2 | 63.8 | 49.7 | 0 | 0 | 0 | 112 | S621 Q622 I623 D758 | N619-S621 VanDerWaalsContact C-N 3.27Å; N619-S621 PolarHBondContact O-N 3.16Å; N619-S621 PolarHBondContact OD1-N 3.07Å; N619-Q622 PolarHBondContact ND2-NE2 3.44Å; N619-Q622 PolarHBondContact ND2-OE1 3.23Å; N619-Q622 WeakPolarHBondContact O-CB 3.06Å; N619-Q622 PolarHBondContact O-N 2.79Å; N619-Q622 VanDerWaalsContact O-N 3.12Å; N619-Q622 WeakPolarHBondContact OD1-CB 3.27Å; N619-Q622 VanDerWaalsContact OD1-CG 3.26Å; N619-Q622 WeakPolarHBondContact OD1-CG 3.2Å; N619-Q622 PolarHBondContact OD1-N 2.98Å; N619-I623 WeakPolarHBondContact O-CG1 3.27Å; N619-I623 PolarHBondContact O-N 2.83Å; N619-I623 VanDerWaalsContact O-N 3.08Å; N619-D758 HydrophobicContact CB-CB 4.05Å; N619-D758 WeakPolarHBondContact CB-OD1 3.43Å; N619-D758 PolarHBondContact OD1-OD1 2.73Å | ||
| 620 | A | 96.1 | Very high | 94.8 | Very high | 17 Ų | 17 | 32.9 Ų | 32.9 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -37.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I623 R624 S755 D756 D758 | A620-I623 PolarHBondContact O-N 3.23Å; A620-R624 WeakPolarHBondContact O-CB 3.31Å; A620-R624 PolarHBondContact O-N 3.01Å; A620-S755 WeakPolarHBondContact CB-O 3.22Å; A620-D756 WeakPolarHBondContact CB-O 3.39Å; A620-D758 PolarHBondContact N-OD1 3.47Å; A620-D758 VanDerWaalsContact N-OD1 3.13Å |
| 621 | S | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.5 | -40.5 | 175.1 | -65.4 | 0 | 0 | 0 | 0 | 113.3 | N619 I623 R624 Y625 Q737 D758 | N619-S621 VanDerWaalsContact C-N 3.27Å; N619-S621 PolarHBondContact O-N 3.16Å; N619-S621 PolarHBondContact OD1-N 3.07Å; S621-I623 VanDerWaalsContact C-N 3.34Å; S621-R624 WeakPolarHBondContact O-CB 3.34Å; S621-R624 PolarHBondContact O-N 3Å; S621-R624 PolarHBondContact OG-NH1 2.74Å; S621-R624 VanDerWaalsContact OG-NH1 3.13Å; S621-Y625 VanDerWaalsContact O-CD2 3.28Å; S621-Y625 WeakPolarHBondContact O-CD2 3.47Å; S621-Y625 PolarHBondContact O-N 3.24Å; S621-Q737 PolarHBondContact OG-N 2.7Å; S621-D758 WeakPolarHBondContact CB-OD1 3.19Å; S621-D758 WeakPolarHBondContact CB-OD2 3.34Å; S621-D758 PolarHBondContact N-OD1 2.99Å; S621-D758 VanDerWaalsContact OG-CG 3.23Å; S621-D758 PolarHBondContact OG-OD1 3.4Å; S621-D758 PolarHBondContact OG-OD2 3.26Å |
| 622 | Q | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 174.1 | -76.4 | 162.9 | -12.2 | 0 | 0 | 111.4 | A546 R548 A549 V587 L618 N619 Y625 I626 | A546-Q622 PolarHBondContact O-NE2 2.77Å; R548-Q622 PolarHBondContact O-NE2 2.79Å; A549-Q622 HydrophobicContact CB-CG 4.24Å; V587-Q622 HydrophobicContact CG2-CB 3.93Å; V587-Q622 HydrophobicContact CG2-CG 3.85Å; L618-Q622 HydrophobicContact CB-CB 4.27Å; L618-Q622 HydrophobicContact CD2-CB 4.39Å; N619-Q622 PolarHBondContact ND2-NE2 3.44Å; N619-Q622 PolarHBondContact ND2-OE1 3.23Å; N619-Q622 WeakPolarHBondContact O-CB 3.06Å; N619-Q622 PolarHBondContact O-N 2.79Å; N619-Q622 VanDerWaalsContact O-N 3.12Å; N619-Q622 WeakPolarHBondContact OD1-CB 3.27Å; N619-Q622 VanDerWaalsContact OD1-CG 3.26Å; N619-Q622 WeakPolarHBondContact OD1-CG 3.2Å; N619-Q622 PolarHBondContact OD1-N 2.98Å; Q622-Y625 PolarHBondContact O-N 2.85Å; Q622-I626 WeakPolarHBondContact O-CG1 3.47Å; Q622-I626 PolarHBondContact O-N 2.66Å; Q622-I626 VanDerWaalsContact O-N 3.08Å |
| 623 | I | 97.7 | Very high | 94.5 | Very high | 61 Ų | 61 | 27.7 Ų | 27.7 | 31% | 0.313 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 175.2 | -61.2 | 171.2 | 0 | 0 | 0 | 110.9 | A602 I606 L618 N619 A620 S621 Y625 I626 N627 | A602-I623 HydrophobicContact CB-CG2 4.1Å; I606-I623 HydrophobicContact CD1-CD1 4.42Å; I606-I623 HydrophobicContact CD1-CG1 3.89Å; I606-I623 HydrophobicContact CD1-CG2 4.4Å; L618-I623 HydrophobicContact CB-CD1 4.36Å; L618-I623 HydrophobicContact CB-CG1 3.95Å; L618-I623 HydrophobicContact CD1-CG1 4.37Å; N619-I623 WeakPolarHBondContact O-CG1 3.27Å; N619-I623 PolarHBondContact O-N 2.83Å; N619-I623 VanDerWaalsContact O-N 3.08Å; A620-I623 PolarHBondContact O-N 3.23Å; S621-I623 VanDerWaalsContact C-N 3.34Å; I623-Y625 VanDerWaalsContact C-N 3.32Å; I623-Y625 PolarHBondContact O-N 2.82Å; I623-I626 PolarHBondContact O-N 2.98Å; I623-N627 PolarHBondContact O-N 3.3Å; I623-N627 PolarHBondContact O-ND2 2.71Å |
| 624 | R | 98.2 | Very high | 94.3 | Very high | 36 Ų | 36 | 28.4 Ų | 28.4 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.9 | -42.4 | 175.7 | -171.9 | -178.6 | -61.3 | 111.6 | 11.9 | 111.9 | A620 S621 N627 Y628 Q737 D756 | A620-R624 WeakPolarHBondContact O-CB 3.31Å; A620-R624 PolarHBondContact O-N 3.01Å; S621-R624 WeakPolarHBondContact O-CB 3.34Å; S621-R624 PolarHBondContact O-N 3Å; S621-R624 PolarHBondContact OG-NH1 2.74Å; S621-R624 VanDerWaalsContact OG-NH1 3.13Å; R624-N627 WeakPolarHBondContact O-CB 3.48Å; R624-N627 PolarHBondContact O-N 3.41Å; R624-Y628 HydrophobicContact CG-CE1 4.04Å; R624-Y628 HydrophobicContact CG-CE2 4.09Å; R624-Y628 PolarHBondContact O-N 2.81Å; R624-Q737 WeakPolarHBondContact CD-O 3.16Å; R624-Q737 PolarHBondContact NH1-O 3.08Å; R624-D756 PolarHBondContact NH2-O 2.85Å |
| 625 | Y | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72 | -35 | 178.8 | -86.7 | -123 | 0 | 0 | 0 | 113.3 | A549 P550 L552 S621 Q622 I623 N627 Y628 V629 D710 Q737 L738 | A549-Y625 HydrophobicContact CB-CD1 3.87Å; A549-Y625 HydrophobicContact CB-CD2 3.74Å; A549-Y625 HydrophobicContact CB-CE1 4.23Å; A549-Y625 HydrophobicContact CB-CE2 4.14Å; A549-Y625 HydrophobicContact CB-CG 3.59Å; P550-Y625 WeakPolarHBondContact O-CD1 3.4Å; P550-Y625 WeakPolarHBondContact O-CE1 3.36Å; L552-Y625 HydrophobicContact CB-CD1 4.5Å; L552-Y625 HydrophobicContact CB-CE1 4.33Å; S621-Y625 VanDerWaalsContact O-CD2 3.28Å; S621-Y625 WeakPolarHBondContact O-CD2 3.47Å; S621-Y625 PolarHBondContact O-N 3.24Å; Q622-Y625 PolarHBondContact O-N 2.85Å; I623-Y625 VanDerWaalsContact C-N 3.32Å; I623-Y625 PolarHBondContact O-N 2.82Å; Y625-N627 VanDerWaalsContact C-N 3.28Å; Y625-N627 PolarHBondContact O-N 2.82Å; Y625-Y628 HydrophobicContact CD1-CD2 4.48Å; Y625-Y628 AromaticContact CD2-CD2 3.85Å; Y625-Y628 HydrophobicContact CD2-CD2 3.85Å; Y625-Y628 AromaticContact CD2-CE2 3.79Å; Y625-Y628 HydrophobicContact CD2-CE2 3.79Å; Y625-Y628 HydrophobicContact CE2-CD2 4.17Å; Y625-Y628 AromaticContact CE2-CE2 3.78Å; Y625-Y628 HydrophobicContact CE2-CE2 3.78Å; Y625-Y628 HydrophobicContact CG-CD2 4.03Å; Y625-Y628 HydrophobicContact CG-CE2 4.43Å; Y625-Y628 WeakPolarHBondContact O-CB 3.35Å; Y625-Y628 PolarHBondContact O-N 3.04Å; Y625-V629 WeakPolarHBondContact O-CG2 3.47Å; Y625-V629 PolarHBondContact O-N 3.43Å; Y625-D710 WeakPolarHBondContact CE1-OD1 3.23Å; Y625-D710 PolarHBondContact OH-OD1 3.26Å; Y625-D710 VanDerWaalsContact OH-OD1 3.13Å; Y625-Q737 HydrophobicContact CE2-CB 3.92Å; Y625-L738 PolarHBondContact OH-O 3.31Å |
| 626 | I | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -39.2 | 169.8 | -61.8 | 157.5 | 0 | 0 | 0 | 110.2 | C590 A602 I606 L618 Q622 I623 V629 A630 | C590-I626 HydrophobicContact CB-CD1 3.94Å; C590-I626 HydrophobicContact CB-CG1 4.42Å; C590-I626 HydrophobicContact CB-CG2 4.04Å; A602-I626 HydrophobicContact CB-CB 3.74Å; A602-I626 HydrophobicContact CB-CD1 4.48Å; A602-I626 HydrophobicContact CB-CG2 3.45Å; A602-I626 VanDerWaalsContact CB-CG2 3.45Å; I606-I626 HydrophobicContact CD1-CD1 4.38Å; L618-I626 HydrophobicContact CD1-CD1 3.55Å; Q622-I626 WeakPolarHBondContact O-CG1 3.47Å; Q622-I626 PolarHBondContact O-N 2.66Å; Q622-I626 VanDerWaalsContact O-N 3.08Å; I623-I626 PolarHBondContact O-N 2.98Å; I626-V629 PolarHBondContact O-N 3.13Å; I626-A630 PolarHBondContact O-N 3.27Å |
| 627 | N | 97.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 31% | 0.31 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.8 | -35.9 | 174.5 | -71 | -28.4 | 0 | 0 | 0 | 112.8 | A602 I623 R624 Y625 A630 Q631 | A602-N627 VanDerWaalsContact CB-OD1 3.23Å; A602-N627 WeakPolarHBondContact CB-OD1 3.3Å; A602-N627 PolarHBondContact N-OD1 3.38Å; I623-N627 PolarHBondContact O-N 3.3Å; I623-N627 PolarHBondContact O-ND2 2.71Å; R624-N627 WeakPolarHBondContact O-CB 3.48Å; R624-N627 PolarHBondContact O-N 3.41Å; Y625-N627 VanDerWaalsContact C-N 3.28Å; Y625-N627 PolarHBondContact O-N 2.82Å; N627-A630 PolarHBondContact O-N 2.75Å; N627-Q631 WeakPolarHBondContact O-CB 3.26Å; N627-Q631 PolarHBondContact O-N 2.75Å |
| 628 | Y | 97.6 | Very high | 92.2 | Very high | 24 Ų | 24 | 34.5 Ų | 34.5 | 9% | 0.094 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 171.2 | -65.5 | -25 | 0 | 0 | 0 | 111.7 | R624 Y625 A630 Q631 L632 H739 F742 | R624-Y628 HydrophobicContact CG-CE1 4.04Å; R624-Y628 HydrophobicContact CG-CE2 4.09Å; R624-Y628 PolarHBondContact O-N 2.81Å; Y625-Y628 HydrophobicContact CD1-CD2 4.48Å; Y625-Y628 AromaticContact CD2-CD2 3.85Å; Y625-Y628 HydrophobicContact CD2-CD2 3.85Å; Y625-Y628 AromaticContact CD2-CE2 3.79Å; Y625-Y628 HydrophobicContact CD2-CE2 3.79Å; Y625-Y628 HydrophobicContact CE2-CD2 4.17Å; Y625-Y628 AromaticContact CE2-CE2 3.78Å; Y625-Y628 HydrophobicContact CE2-CE2 3.78Å; Y625-Y628 HydrophobicContact CG-CD2 4.03Å; Y625-Y628 HydrophobicContact CG-CE2 4.43Å; Y625-Y628 WeakPolarHBondContact O-CB 3.35Å; Y625-Y628 PolarHBondContact O-N 3.04Å; Y628-A630 VanDerWaalsContact C-N 3.35Å; Y628-A630 PolarHBondContact O-N 3.23Å; Y628-Q631 PolarHBondContact O-N 3.48Å; Y628-L632 VanDerWaalsContact O-CG 3.32Å; Y628-L632 WeakPolarHBondContact O-CG 3.41Å; Y628-L632 PolarHBondContact O-N 3.38Å; Y628-H739 HydrophobicContact CD2-CB 4.24Å; Y628-H739 HydrophobicContact CE2-CB 3.85Å; Y628-H739 PolarHBondContact OH-N 3.32Å; Y628-F742 HydrophobicContact CD1-CB 4.13Å; Y628-F742 AromaticContact CD1-CD1 3.22Å; Y628-F742 HydrophobicContact CD1-CD1 3.22Å; Y628-F742 HydrophobicContact CD1-CD2 4.2Å; Y628-F742 AromaticContact CD1-CE1 3.52Å; Y628-F742 HydrophobicContact CD1-CE1 3.52Å; Y628-F742 HydrophobicContact CD1-CE2 4.46Å; Y628-F742 AromaticContact CD1-CG 3.59Å; Y628-F742 HydrophobicContact CD1-CG 3.59Å; Y628-F742 HydrophobicContact CD1-CZ 4.14Å; Y628-F742 HydrophobicContact CD2-CD2 4.5Å; Y628-F742 HydrophobicContact CE1-CB 3.56Å; Y628-F742 AromaticContact CE1-CD1 3.59Å; Y628-F742 HydrophobicContact CE1-CD1 3.59Å; Y628-F742 HydrophobicContact CE1-CD2 4.32Å; Y628-F742 HydrophobicContact CE1-CE1 4.33Å; Y628-F742 AromaticContact CE1-CG 3.57Å; Y628-F742 HydrophobicContact CE1-CG 3.57Å; Y628-F742 AromaticContact CG-CD1 3.91Å; Y628-F742 HydrophobicContact CG-CD1 3.91Å; Y628-F742 HydrophobicContact CG-CD2 4.27Å; Y628-F742 AromaticContact CG-CE1 3.82Å; Y628-F742 HydrophobicContact CG-CE1 3.82Å; Y628-F742 HydrophobicContact CG-CE2 4.22Å; Y628-F742 HydrophobicContact CG-CG 4.12Å; Y628-F742 AromaticContact CG-CZ 3.98Å; Y628-F742 HydrophobicContact CG-CZ 3.98Å |
| 629 | V | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 173.7 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | L552 L555 I556 F595 Y625 I626 L632 S633 | L552-V629 HydrophobicContact CD1-CG2 4.13Å; L555-V629 HydrophobicContact CD2-CG2 3.68Å; L555-V629 HydrophobicContact CG-CG2 3.89Å; I556-V629 HydrophobicContact CD1-CB 4.23Å; I556-V629 HydrophobicContact CD1-CG1 3.96Å; I556-V629 HydrophobicContact CD1-CG2 3.86Å; F595-V629 HydrophobicContact CB-CG1 3.95Å; F595-V629 HydrophobicContact CD2-CG1 3.93Å; F595-V629 HydrophobicContact CG-CG1 4.4Å; Y625-V629 WeakPolarHBondContact O-CG2 3.47Å; Y625-V629 PolarHBondContact O-N 3.43Å; I626-V629 PolarHBondContact O-N 3.13Å; V629-L632 PolarHBondContact O-N 2.74Å; V629-S633 PolarHBondContact O-N 2.91Å; V629-S633 VanDerWaalsContact O-N 3.1Å; V629-S633 PolarHBondContact O-OG 2.84Å |
| 630 | A | 95.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C594 D600 I626 N627 Y628 L632 S633 H634 | C594-A630 HydrophobicContact CB-CB 3.69Å; D600-A630 WeakPolarHBondContact O-CB 3.35Å; I626-A630 PolarHBondContact O-N 3.27Å; N627-A630 PolarHBondContact O-N 2.75Å; Y628-A630 VanDerWaalsContact C-N 3.35Å; Y628-A630 PolarHBondContact O-N 3.23Å; A630-L632 VanDerWaalsContact C-N 3.32Å; A630-L632 PolarHBondContact O-N 3.26Å; A630-S633 PolarHBondContact O-N 2.74Å; A630-S633 PolarHBondContact O-OG 2.84Å; A630-H634 WeakPolarHBondContact O-CB 3.43Å; A630-H634 PolarHBondContact O-N 3.38Å; A630-H634 PolarHBondContact O-ND1 2.75Å |
| 631 | Q | 94.6 | Very high | 91.2 | Very high | 76 Ų | 76 | 36.8 Ų | 36.8 | 36% | 0.355 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 177.7 | -179.8 | 170.7 | -12.6 | 0 | 0 | 111.5 | N627 Y628 H634 N635 F638 F742 | N627-Q631 WeakPolarHBondContact O-CB 3.26Å; N627-Q631 PolarHBondContact O-N 2.75Å; Y628-Q631 PolarHBondContact O-N 3.48Å; Q631-H634 PolarHBondContact O-N 2.71Å; Q631-N635 PolarHBondContact O-N 3.14Å; Q631-F638 HydrophobicContact CG-CD1 3.89Å; Q631-F638 HydrophobicContact CG-CE1 4.29Å; Q631-F638 HydrophobicContact CG-CG 4.25Å; Q631-F638 VanDerWaalsContact NE2-CD2 3.34Å; Q631-F638 VanDerWaalsContact NE2-CE2 3.31Å; Q631-F742 HydrophobicContact CB-CE1 4.32Å; Q631-F742 HydrophobicContact CG-CE1 4.3Å |
| 632 | L | 92.8 | Very high | 90.8 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.5 | -38.6 | 177.8 | -67.9 | 170.7 | 0 | 0 | 0 | 113.6 | L552 I556 Y628 V629 A630 H634 F638 P640 F742 W801 L804 | L552-L632 HydrophobicContact CD1-CD1 4.43Å; L552-L632 HydrophobicContact CD2-CD1 4.28Å; I556-L632 HydrophobicContact CD1-CD1 3.99Å; I556-L632 HydrophobicContact CG1-CD1 4.37Å; Y628-L632 VanDerWaalsContact O-CG 3.32Å; Y628-L632 WeakPolarHBondContact O-CG 3.41Å; Y628-L632 PolarHBondContact O-N 3.38Å; V629-L632 PolarHBondContact O-N 2.74Å; A630-L632 VanDerWaalsContact C-N 3.32Å; A630-L632 PolarHBondContact O-N 3.26Å; L632-H634 VanDerWaalsContact C-N 3.34Å; L632-F638 HydrophobicContact CD2-CD1 4.04Å; L632-F638 HydrophobicContact CD2-CE1 4.2Å; L632-P640 HydrophobicContact CD2-CG 3.75Å; L632-F742 HydrophobicContact CD1-CZ 3.97Å; L632-F742 HydrophobicContact CD2-CZ 4.18Å; L632-F742 HydrophobicContact CG-CZ 3.94Å; L632-W801 HydrophobicContact CD1-CB 3.95Å; L632-W801 HydrophobicContact CD2-CB 4.13Å; L632-L804 HydrophobicContact CB-CD1 4.19Å |
| 633 | S | 89.4 | Confident | 90.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74.6 | -24.6 | 177.8 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | C594 F595 R597 V629 A630 | C594-S633 PolarHBondContact O-OG 2.82Å; F595-S633 VanDerWaalsContact O-CB 3.31Å; F595-S633 WeakPolarHBondContact O-CB 3.43Å; R597-S633 WeakPolarHBondContact CD-O 3.21Å; R597-S633 PolarHBondContact NE-O 2.7Å; R597-S633 PolarHBondContact NH1-O 3.15Å; V629-S633 PolarHBondContact O-N 2.91Å; V629-S633 VanDerWaalsContact O-N 3.1Å; V629-S633 PolarHBondContact O-OG 2.84Å; A630-S633 PolarHBondContact O-N 2.74Å; A630-S633 PolarHBondContact O-OG 2.84Å |
| 634 | H | 86.5 | Confident | 90.3 | Very high | 44 Ų | 44 | 37 Ų | 37 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -95.9 | -40.3 | -176.5 | -68.7 | 78.4 | 0 | 0 | 0 | 114.2 | C594 R597 F599 D600 A630 Q631 L632 | C594-H634 PolarHBondContact O-CE1 3.07Å; C594-H634 VanDerWaalsContact O-CE1 3.27Å; R597-H634 PolarHBondContact NH2-O 2.93Å; R597-H634 VanDerWaalsContact NH2-O 3.12Å; F599-H634 PolarHBondContact O-CE1 3.49Å; F599-H634 VanDerWaalsContact O-CE1 3.22Å; D600-H634 IonicContact OD1-CD2 2.78Å; D600-H634 IonicContact OD1-NE2 2.94Å; D600-H634 PolarHBondContact OD1-NE2 2.98Å; A630-H634 WeakPolarHBondContact O-CB 3.43Å; A630-H634 PolarHBondContact O-N 3.38Å; A630-H634 PolarHBondContact O-ND1 2.75Å; Q631-H634 PolarHBondContact O-N 2.71Å; L632-H634 VanDerWaalsContact C-N 3.34Å |
| 635 | N | 82.5 | Confident | 90.2 | Very high | 81 Ų | 81 | 35.2 Ų | 35.2 | 43% | 0.433 | 19% | 0.185 | S | C | . | . | trans | -114.1 | 96.3 | -173.6 | -176.5 | 4.3 | 0 | 0 | 0 | 112.8 | Q631 A637 F638 | Q631-N635 PolarHBondContact O-N 3.14Å; N635-A637 VanDerWaalsContact C-N 3.26Å; N635-A637 PolarHBondContact O-N 3.17Å; N635-A637 PolarHBondContact OD1-N 2.76Å; N635-A637 VanDerWaalsContact OD1-N 3.08Å; N635-F638 HydrophobicContact CB-CB 4.28Å; N635-F638 PolarHBondContact O-N 3.28Å; N635-F638 VanDerWaalsContact O-N 3.15Å | ||
| 636 | R | 70.9 | Confident | 90 | Very high | 125 Ų | 125 | 36.9 Ų | 36.9 | 47% | 0.472 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.7 | 176.8 | -75.5 | -164.8 | -172.9 | -81.6 | -30.1 | 115.4 | L804 P805 N807 | R636-L804 PolarHBondContact NH1-O 3.03Å; R636-P805 PolarHBondContact NH2-O 2.98Å; R636-N807 PolarHBondContact NE-OD1 3.42Å; R636-N807 VanDerWaalsContact NH2-N 3.15Å; R636-N807 PolarHBondContact NH2-OD1 3.3Å |
| 637 | A | 76 | Confident | 89.9 | Confident | 95 Ų | 95 | 36.9 Ų | 36.9 | 79% | 0.785 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -13 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N635 | N635-A637 VanDerWaalsContact C-N 3.26Å; N635-A637 PolarHBondContact O-N 3.17Å; N635-A637 PolarHBondContact OD1-N 2.76Å; N635-A637 VanDerWaalsContact OD1-N 3.08Å |
| 638 | F | 84.2 | Confident | 89.7 | Confident | 49 Ų | 49 | 37.4 Ų | 37.4 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | trans | -94.4 | 111.2 | 174.2 | -179.9 | -90.2 | 0 | 0 | 0 | 110.5 | Q631 L632 N635 P640 F742 | Q631-F638 HydrophobicContact CG-CD1 3.89Å; Q631-F638 HydrophobicContact CG-CE1 4.29Å; Q631-F638 HydrophobicContact CG-CG 4.25Å; Q631-F638 VanDerWaalsContact NE2-CD2 3.34Å; Q631-F638 VanDerWaalsContact NE2-CE2 3.31Å; L632-F638 HydrophobicContact CD2-CD1 4.04Å; L632-F638 HydrophobicContact CD2-CE1 4.2Å; N635-F638 HydrophobicContact CB-CB 4.28Å; N635-F638 PolarHBondContact O-N 3.28Å; N635-F638 VanDerWaalsContact O-N 3.15Å; F638-P640 HydrophobicContact CE1-CG 4.17Å; F638-F742 HydrophobicContact CD1-CE1 4.3Å; F638-F742 AromaticContact CE1-CD1 3.63Å; F638-F742 HydrophobicContact CE1-CD1 3.63Å; F638-F742 HydrophobicContact CE1-CD2 4.5Å; F638-F742 AromaticContact CE1-CE1 3.34Å; F638-F742 HydrophobicContact CE1-CE1 3.34Å; F638-F742 HydrophobicContact CE1-CE2 4.23Å; F638-F742 HydrophobicContact CE1-CG 4.23Å; F638-F742 AromaticContact CE1-CZ 3.68Å; F638-F742 HydrophobicContact CE1-CZ 3.68Å; F638-F742 AromaticContact CZ-CD1 3.57Å; F638-F742 HydrophobicContact CZ-CD1 3.57Å; F638-F742 HydrophobicContact CZ-CD2 4.42Å; F638-F742 AromaticContact CZ-CE1 3.82Å; F638-F742 HydrophobicContact CZ-CE1 3.82Å; F638-F742 AromaticContact CZ-CG 3.91Å; F638-F742 HydrophobicContact CZ-CG 3.91Å; F638-F742 HydrophobicContact CZ-CZ 4.33Å | ||
| 639 | T | 83.1 | Confident | 89.7 | Confident | 91 Ų | 91 | 36.2 Ų | 36.2 | 56% | 0.558 | 19% | 0.192 | S | C | * | . | trans | -111.3 | 135.1 | 165.8 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | H641 | T639-H641 PolarHBondContact O-N 3.29Š| ||
| 640 | P | 90.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | trans | -62 | 128.1 | 173.1 | -19.6 | 32.6 | 0 | 0 | 0 | 110.4 | L632 F638 H642 G741 F742 W801 | L632-P640 HydrophobicContact CD2-CG 3.75Å; F638-P640 HydrophobicContact CE1-CG 4.17Å; P640-H642 PolarHBondContact O-CE1 3.19Å; P640-G741 VanDerWaalsContact CA-O 3.27Å; P640-G741 WeakPolarHBondContact CA-O 3.15Å; P640-F742 HydrophobicContact CB-CD2 4.31Å; P640-F742 HydrophobicContact CB-CE2 3.93Å; P640-F742 HydrophobicContact CG-CD2 4.41Å; P640-F742 HydrophobicContact CG-CE2 3.6Å; P640-F742 HydrophobicContact CG-CZ 3.98Å; P640-W801 HydrophobicContact CB-CZ2 4.4Å; P640-W801 HydrophobicContact CG-CD2 4.15Å; P640-W801 HydrophobicContact CG-CG 4.13Å; P640-W801 HydrophobicContact CG-CZ2 4.49Å | ||
| 641 | H | 89.8 | Confident | 89.9 | Confident | 18 Ų | 18 | 37 Ų | 37 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | trans | -84.2 | 161.5 | -179.8 | 63.8 | 80.8 | 0 | 0 | 0 | 112.5 | T639 F643 T740 G741 V743 H745 | T639-H641 PolarHBondContact O-N 3.29Å; H641-F643 HydrophobicContact CB-CD2 3.72Å; H641-F643 HydrophobicContact CB-CE2 4.17Å; H641-F643 AromaticContact CG-CD2 3.88Å; H641-F643 AromaticContact ND1-CD2 3.73Å; H641-T740 PolarHBondContact CE1-O 3.29Å; H641-T740 PolarHBondContact NE2-O 2.88Å; H641-G741 PolarHBondContact CD2-O 3.44Å; H641-G741 VanDerWaalsContact CD2-O 3.24Å; H641-G741 PolarHBondContact N-O 2.93Å; H641-G741 WeakPolarHBondContact NE2-CA 3.4Å; H641-G741 PolarHBondContact NE2-O 3.39Å; H641-G741 WeakPolarHBondContact O-CA 3.3Å; H641-V743 PolarHBondContact NE2-O 2.76Å; H641-H745 AromaticContact CD2-CE1 3.84Å; H641-H745 AromaticContact CD2-NE2 3.73Å; H641-H745 AromaticContact CG-NE2 3.53Å; H641-H745 AromaticContact ND1-NE2 3.99Å | ||
| 642 | H | 89.3 | Confident | 90 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | trans | -113.5 | 14.4 | -178.6 | -45.4 | 82.1 | 0 | 0 | 0 | 113.3 | P640 P644 L708 E789 R790 Y799 | P640-H642 PolarHBondContact O-CE1 3.19Å; H642-P644 VanDerWaalsContact O-CD 3.23Å; H642-P644 WeakPolarHBondContact O-CD 3.44Å; H642-L708 HydrophobicContact CB-CD1 4.45Å; H642-L708 VanDerWaalsContact O-CD1 3.26Å; H642-L708 WeakPolarHBondContact O-CD1 3.39Å; H642-E789 WeakPolarHBondContact CA-OE1 3.32Å; H642-E789 HydrophobicContact CB-CG 3.8Å; H642-E789 VanDerWaalsContact CB-OE1 3.26Å; H642-E789 WeakPolarHBondContact CB-OE1 3.42Å; H642-E789 IonicContact CG-OE1 3.46Å; H642-E789 PolarHBondContact N-OE1 3.17Å; H642-E789 IonicContact ND1-OE1 2.74Å; H642-E789 PolarHBondContact ND1-OE1 3.34Å; H642-E789 VanDerWaalsContact ND1-OE1 3.11Å; H642-R790 PolarHBondContact O-N 2.89Å; H642-Y799 AromaticContact CD2-CE2 3.64Å; H642-Y799 AromaticContact CD2-CZ 3.74Å; H642-Y799 AromaticContact NE2-CD2 3.57Å; H642-Y799 AromaticContact NE2-CE2 3.31Å; H642-Y799 VanDerWaalsContact NE2-CE2 3.31Å; H642-Y799 WeakPolarHBondContact NE2-CE2 3.23Å; H642-Y799 AromaticContact NE2-CZ 3.74Å | ||
| 643 | F | 91.7 | Very high | 90.2 | Very high | 49 Ų | 49 | 33.7 Ų | 33.7 | 22% | 0.215 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 120.2 | 163.4 | -58.7 | -83.7 | 0 | 0 | 0 | 109.6 | H641 H745 V785 S786 T788 E789 | H641-F643 HydrophobicContact CB-CD2 3.72Å; H641-F643 HydrophobicContact CB-CE2 4.17Å; H641-F643 AromaticContact CG-CD2 3.88Å; H641-F643 AromaticContact ND1-CD2 3.73Å; F643-H745 AromaticContact CD2-CD2 3.51Å; F643-H745 AromaticContact CD2-NE2 3.16Å; F643-H745 WeakPolarHBondContact CD2-NE2 3.29Å; F643-H745 AromaticContact CE2-CD2 3.79Å; F643-H745 AromaticContact CE2-NE2 3.3Å; F643-H745 VanDerWaalsContact CE2-NE2 3.3Å; F643-H745 WeakPolarHBondContact CE2-NE2 3.37Å; F643-V785 HydrophobicContact CB-CG1 3.73Å; F643-V785 HydrophobicContact CG-CG1 4.47Å; F643-S786 WeakPolarHBondContact CD1-O 3.36Å; F643-T788 VanDerWaalsContact CD1-C 3.41Å; F643-E789 HydrophobicContact CD1-CB 3.86Å; F643-E789 HydrophobicContact CE1-CB 3.71Å; F643-E789 VanDerWaalsContact CE1-N 3.28Å; F643-E789 HydrophobicContact CE2-CB 4.46Å; F643-E789 HydrophobicContact CG-CB 4.31Å; F643-E789 HydrophobicContact CZ-CB 4.01Å |
| 644 | P | 92.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 157.4 | 175.1 | -23.7 | 35.6 | 0 | 0 | 0 | 112.6 | H642 T706 V707 L708 S786 R790 | H642-P644 VanDerWaalsContact O-CD 3.23Å; H642-P644 WeakPolarHBondContact O-CD 3.44Å; P644-T706 HydrophobicContact CB-CG2 3.51Å; P644-T706 HydrophobicContact CG-CG2 4.23Å; P644-V707 WeakPolarHBondContact CA-O 3.43Å; P644-V707 WeakPolarHBondContact CB-O 3.35Å; P644-L708 HydrophobicContact CG-CD1 4.36Å; P644-S786 WeakPolarHBondContact O-CB 3.41Å; P644-S786 PolarHBondContact O-N 3.18Å; P644-R790 HydrophobicContact CG-CB 3.75Å |
| 645 | L | 95 | Very high | 91 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130 | 168 | -54.5 | -176.4 | 0 | 0 | 0 | 109.5 | L647 T706 V707 L738 T740 V743 F783 V785 | L645-L647 HydrophobicContact CB-CD2 3.96Å; L645-T706 CarbonylContact O-C 3.56Å; L645-T706 WeakPolarHBondContact O-CA 3.38Å; L645-V707 HydrophobicContact CB-CG2 4.18Å; L645-V707 PolarHBondContact N-O 2.96Å; L645-V707 WeakPolarHBondContact O-CG2 3.46Å; L645-V707 PolarHBondContact O-N 3.37Å; L645-L738 HydrophobicContact CD1-CD1 4.11Å; L645-T740 HydrophobicContact CD1-CG2 3.8Å; L645-T740 HydrophobicContact CG-CG2 3.8Å; L645-V743 HydrophobicContact CD1-CB 4.41Å; L645-V743 HydrophobicContact CD1-CG1 4.48Å; L645-V743 HydrophobicContact CD1-CG2 4.09Å; L645-V743 HydrophobicContact CD2-CB 4.45Å; L645-V743 HydrophobicContact CD2-CG1 4.38Å; L645-F783 HydrophobicContact CD2-CD2 4.01Å; L645-F783 HydrophobicContact CD2-CE2 4.24Å; L645-V785 HydrophobicContact CD2-CB 4.27Å; L645-V785 HydrophobicContact CD2-CG1 4.31Å; L645-V785 HydrophobicContact CD2-CG2 3.77Å |
| 646 | N | 94.4 | Very high | 91.6 | Very high | 35 Ų | 35 | 29.9 Ų | 29.9 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 103.7 | 171.3 | -65 | -37 | 0 | 0 | 0 | 108.5 | I648 T706 F783 M784 | N646-I648 PolarHBondContact O-N 3.4Å; N646-T706 WeakPolarHBondContact OD1-CB 3.47Å; N646-T706 WeakPolarHBondContact OD1-CG2 3.43Å; N646-T706 PolarHBondContact OD1-OG1 3.49Å; N646-F783 CarbonylContact O-C 3.54Å; N646-F783 WeakPolarHBondContact O-CA 3.3Å; N646-F783 WeakPolarHBondContact O-CB 3.33Å; N646-M784 PolarHBondContact N-O 3.18Å; N646-M784 PolarHBondContact O-N 3.01Å |
| 647 | L | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 122.4 | -172.3 | -52.6 | -173.4 | 0 | 0 | 0 | 111.4 | L645 I671 L702 G704 L705 V707 L781 F783 | L645-L647 HydrophobicContact CB-CD2 3.96Å; L647-I671 HydrophobicContact CD1-CD1 3.82Å; L647-L702 HydrophobicContact CB-CB 4.01Å; L647-L702 HydrophobicContact CB-CD1 3.8Å; L647-L702 HydrophobicContact CD1-CD1 4.21Å; L647-L702 CarbonylContact O-C 3.6Å; L647-L702 WeakPolarHBondContact O-CB 3.42Å; L647-G704 CarbonylContact O-C 3.52Å; L647-G704 WeakPolarHBondContact O-CA 3.34Å; L647-G704 PolarHBondContact O-N 3.32Å; L647-L705 HydrophobicContact CB-CB 4.47Å; L647-L705 HydrophobicContact CD1-CD2 4.41Å; L647-L705 PolarHBondContact N-O 2.93Å; L647-L705 PolarHBondContact O-N 3.43Å; L647-V707 HydrophobicContact CD1-CG1 4.46Å; L647-V707 HydrophobicContact CD1-CG2 3.96Å; L647-V707 HydrophobicContact CD2-CG2 4.11Å; L647-V707 HydrophobicContact CG-CG2 3.89Å; L647-L781 HydrophobicContact CD1-CD1 4.38Å; L647-L781 HydrophobicContact CD2-CD1 4.26Å; L647-L781 HydrophobicContact CD2-CD2 4.12Å; L647-L781 HydrophobicContact CD2-CG 4.37Å; L647-F783 HydrophobicContact CD2-CB 3.86Å |
| 648 | I | 94.7 | Very high | 93.4 | Very high | 68 Ų | 68 | 20.6 Ų | 20.6 | 35% | 0.349 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -59 | -175.2 | -65.3 | 171.5 | 0 | 0 | 0 | 110.6 | N646 L702 E782 M784 | N646-I648 PolarHBondContact O-N 3.4Å; I648-L702 PolarHBondContact O-N 3.1Å; I648-E782 HydrophobicContact CB-CB 4.2Å; I648-E782 PolarHBondContact N-O 2.9Å; I648-M784 HydrophobicContact CD1-CE 4.22Å; I648-M784 HydrophobicContact CD1-CG 3.99Å; I648-M784 HydrophobicContact CD1-SD 4.45Å |
| 649 | S | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 161.2 | -179.6 | 106.6 | 0 | 0 | 0 | 0 | 113 | Q699 I700 E782 | S649-Q699 PolarHBondContact OG-NE2 2.92Å; S649-I700 CarbonylContact C-O 3.59Å; S649-I700 VanDerWaalsContact CA-O 3.25Å; S649-I700 WeakPolarHBondContact CA-O 3.37Å; S649-I700 WeakPolarHBondContact CB-O 3.41Å; S649-E782 VanDerWaalsContact CB-OE2 3.29Å; S649-E782 WeakPolarHBondContact CB-OE2 3.46Å; S649-E782 PolarHBondContact N-O 3.29Å; S649-E782 PolarHBondContact O-N 3Å; S649-E782 PolarHBondContact OG-OE2 2.7Å |
| 650 | L | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 119 | 170 | -163.4 | 78.2 | 0 | 0 | 0 | 109.1 | V669 Q699 I700 L702 V713 I715 F736 V779 T780 L781 | L650-V669 HydrophobicContact CD2-CG1 4.24Å; L650-V669 HydrophobicContact CD2-CG2 3.63Å; L650-Q699 WeakPolarHBondContact O-CA 3.36Å; L650-I700 PolarHBondContact N-O 2.85Å; L650-I700 PolarHBondContact O-N 3.26Å; L650-L702 HydrophobicContact CB-CD1 4.3Å; L650-V713 HydrophobicContact CD1-CG1 4.49Å; L650-V713 HydrophobicContact CD2-CG1 4.25Å; L650-I715 HydrophobicContact CD2-CD1 3.76Å; L650-I715 HydrophobicContact CD2-CG1 3.95Å; L650-F736 HydrophobicContact CD1-CE1 4.18Å; L650-F736 HydrophobicContact CD1-CZ 3.92Å; L650-V779 HydrophobicContact CD1-CG1 3.57Å; L650-V779 HydrophobicContact CD2-CG1 4.14Å; L650-V779 HydrophobicContact CG-CG1 3.79Å; L650-T780 WeakPolarHBondContact CA-O 3.31Å; L650-L781 HydrophobicContact CD1-CB 4.12Å; L650-L781 HydrophobicContact CD1-CD1 3.83Å |
| 651 | I | 98 | Very high | 93.6 | Very high | 17 Ų | 17 | 25.8 Ų | 25.8 | 9% | 0.087 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.2 | 174.7 | -63.2 | 173.1 | 0 | 0 | 0 | 109 | K697 I698 Q699 V779 T780 E782 | I651-K697 HydrophobicContact CG2-CB 4.49Å; I651-K697 HydrophobicContact CG2-CD 4.05Å; I651-I698 CarbonylContact C-O 3.6Å; I651-I698 VanDerWaalsContact CA-O 3.3Å; I651-I698 WeakPolarHBondContact CA-O 3.45Å; I651-Q699 HydrophobicContact CD1-CG 4.49Å; I651-Q699 HydrophobicContact CG1-CB 4.21Å; I651-Q699 HydrophobicContact CG1-CG 3.78Å; I651-V779 CarbonylContact O-C 3.32Å; I651-V779 VanDerWaalsContact O-CA 3.28Å; I651-V779 WeakPolarHBondContact O-CA 3.38Å; I651-T780 PolarHBondContact N-O 2.88Å; I651-T780 PolarHBondContact O-N 3.41Å; I651-E782 VanDerWaalsContact CD1-OE1 3.26Å; I651-E782 WeakPolarHBondContact CD1-OE1 3.43Å |
| 652 | I | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 121.6 | 176.6 | -49.4 | 161.1 | 0 | 0 | 0 | 107.8 | K697 I698 I700 I715 F777 V779 | I652-K697 WeakPolarHBondContact O-CA 3.43Å; I652-I698 HydrophobicContact CB-CB 4.06Å; I652-I698 HydrophobicContact CB-CD1 4.2Å; I652-I698 HydrophobicContact CB-CG1 4.33Å; I652-I698 HydrophobicContact CD1-CB 4.31Å; I652-I698 HydrophobicContact CD1-CD1 4.06Å; I652-I698 HydrophobicContact CD1-CG2 4.37Å; I652-I698 HydrophobicContact CG2-CD1 4.44Å; I652-I698 PolarHBondContact N-O 2.97Å; I652-I698 PolarHBondContact O-N 3.34Å; I652-I700 HydrophobicContact CD1-CD1 4.43Å; I652-I715 HydrophobicContact CD1-CD1 3.95Å; I652-I715 HydrophobicContact CD1-CG2 3.71Å; I652-I715 HydrophobicContact CG1-CD1 4.09Å; I652-F777 HydrophobicContact CG2-CE2 3.47Å; I652-F777 VanDerWaalsContact CG2-CE2 3.47Å; I652-F777 HydrophobicContact CG2-CZ 3.7Å; I652-V779 HydrophobicContact CG1-CG2 4.35Å; I652-V779 HydrophobicContact CG2-CG2 4.28Å |
| 653 | A | 95.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 12% | 0.124 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 139.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K697 F777 H778 | A653-K697 HydrophobicContact CB-CB 3.92Å; A653-F777 WeakPolarHBondContact O-CA 3.34Å; A653-H778 PolarHBondContact N-O 2.7Å; A653-H778 PolarHBondContact O-N 2.87Å; A653-H778 PolarHBondContact O-ND1 3.33Å; A653-H778 VanDerWaalsContact O-ND1 3.13Å |
| 654 | P | 95.6 | Very high | 93.8 | Very high | 41 Ų | 41 | 29.3 Ų | 29.3 | 27% | 0.266 | 16% | 0.156 | S | C | . | . | S | Bend | cis | -64.5 | 170.4 | -15.6 | -21.5 | 35.4 | 0 | 0 | 0 | 113.3 | P656 G696 A774 F777 | P654-P656 WeakPolarHBondContact O-CD 3.28Å; P654-G696 WeakPolarHBondContact CA-O 3.24Å; P654-A774 HydrophobicContact CB-CB 4.41Å; P654-A774 HydrophobicContact CG-CB 3.79Å; P654-F777 WeakPolarHBondContact O-CD2 3.32Å |
| 655 | V | 97.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.03 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 123.1 | 176 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | V692 L693 D695 G696 I698 | V655-V692 WeakPolarHBondContact CG2-O 3.35Å; V655-L693 WeakPolarHBondContact O-CD2 3.39Å; V655-D695 HydrophobicContact CG2-CB 4.25Å; V655-G696 PolarHBondContact N-O 3.44Å; V655-I698 HydrophobicContact CG1-CD1 4.27Å; V655-I698 HydrophobicContact CG1-CG1 4.36Å; V655-I698 HydrophobicContact CG2-CG1 4Å |
| 656 | P | 94.9 | Very high | 94 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -83.3 | 148.7 | -177.9 | 33.6 | -34.1 | 0 | 0 | 0 | 112.4 | P654 F658 G664 C665 I733 R772 Y773 F777 | P654-P656 WeakPolarHBondContact O-CD 3.28Å; P656-F658 HydrophobicContact CB-CD2 3.98Å; P656-F658 HydrophobicContact CB-CE2 4.15Å; P656-F658 HydrophobicContact CG-CD2 4.4Å; P656-F658 PolarHBondContact O-N 2.9Å; P656-G664 CarbonylContact O-C 3.52Å; P656-C665 WeakPolarHBondContact O-CB 3.26Å; P656-I733 HydrophobicContact CB-CG2 4.39Å; P656-I733 HydrophobicContact CG-CD1 4.43Å; P656-I733 HydrophobicContact CG-CG2 3.84Å; P656-R772 CarbonylContact C-O 3.59Å; P656-R772 WeakPolarHBondContact CA-O 3.38Å; P656-R772 WeakPolarHBondContact CB-O 3.48Å; P656-Y773 HydrophobicContact CB-CD1 4.17Å; P656-F777 HydrophobicContact CB-CD2 4.5Å; P656-F777 HydrophobicContact CB-CE2 3.86Å; P656-F777 HydrophobicContact CB-CZ 4.43Å; P656-F777 HydrophobicContact CG-CE2 3.9Å; P656-F777 HydrophobicContact CG-CZ 4.36Å |
| 657 | T | 93.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | trans | -97 | 59.9 | -163.5 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | K662 G664 L693 R772 | T657-K662 VanDerWaalsContact CB-O 3.32Å; T657-K662 WeakPolarHBondContact CB-O 3.21Å; T657-K662 VanDerWaalsContact CG2-O 3.28Å; T657-K662 WeakPolarHBondContact CG2-O 3.39Å; T657-G664 CarbonylContact C-O 3.59Å; T657-L693 HydrophobicContact CG2-CD1 4.09Å; T657-L693 HydrophobicContact CG2-CD2 3.82Å; T657-L693 HydrophobicContact CG2-CG 4.05Å; T657-R772 PolarHBondContact N-O 2.94Å; T657-R772 WeakPolarHBondContact OG1-CA 3.47Å; T657-R772 PolarHBondContact OG1-O 2.85Å | ||
| 658 | F | 91.8 | Very high | 94.2 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | trans | -84.9 | -18 | -174.9 | -88.1 | -105.5 | 0 | 0 | 0 | 116.4 | P656 G664 C665 H717 V731 K732 I733 D761 R772 Y773 | P656-F658 HydrophobicContact CB-CD2 3.98Å; P656-F658 HydrophobicContact CB-CE2 4.15Å; P656-F658 HydrophobicContact CG-CD2 4.4Å; P656-F658 PolarHBondContact O-N 2.9Å; F658-G664 PolarHBondContact N-O 2.96Å; F658-C665 HydrophobicContact CB-CB 3.94Å; F658-H717 HydrophobicContact CB-CB 3.85Å; F658-H717 HydrophobicContact CD1-CB 4.13Å; F658-H717 HydrophobicContact CG-CB 4.24Å; F658-H717 PolarHBondContact O-CD2 3.29Å; F658-V731 HydrophobicContact CD1-CB 4.44Å; F658-V731 HydrophobicContact CD1-CG1 4.01Å; F658-V731 HydrophobicContact CE1-CG1 3.88Å; F658-K732 WeakPolarHBondContact CE1-O 3.23Å; F658-I733 HydrophobicContact CD1-CG1 4.11Å; F658-I733 HydrophobicContact CD2-CG1 4.08Å; F658-I733 HydrophobicContact CD2-CG2 4.44Å; F658-I733 HydrophobicContact CE1-CG1 4.17Å; F658-I733 HydrophobicContact CE2-CB 4.33Å; F658-I733 HydrophobicContact CE2-CG1 4.14Å; F658-I733 HydrophobicContact CE2-CG2 3.98Å; F658-I733 HydrophobicContact CG-CG1 4.07Å; F658-I733 HydrophobicContact CZ-CB 4.29Å; F658-I733 HydrophobicContact CZ-CG1 4.19Å; F658-I733 HydrophobicContact CZ-CG2 4.36Å; F658-D761 HydrophobicContact CZ-CB 4.47Å; F658-R772 HydrophobicContact CD2-CB 4.2Å; F658-R772 HydrophobicContact CE2-CB 3.82Å; F658-R772 HydrophobicContact CE2-CG 4.47Å; F658-R772 HydrophobicContact CZ-CB 4.41Å; F658-Y773 AromaticContact CE2-CE1 3.82Å; F658-Y773 HydrophobicContact CE2-CE1 3.82Å; F658-Y773 HydrophobicContact CE2-CE2 4.46Å; F658-Y773 AromaticContact CE2-CZ 3.78Å; F658-Y773 HydrophobicContact CZ-CE1 4.23Å; F658-Y773 AromaticContact CZ-CZ 3.8Å; F658-Y773 WeakPolarHBondContact CZ-OH 3.32Å | ||
| 659 | N | 90.2 | Very high | 94.4 | Very high | 23 Ų | 23 | 27.4 Ų | 27.4 | 12% | 0.123 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -71.5 | 167 | -178.4 | 69.3 | 7.1 | 0 | 0 | 0 | 112.8 | S661 K662 N663 G664 | N659-S661 PolarHBondContact ND2-OG 2.94Å; N659-S661 PolarHBondContact O-N 2.94Å; N659-S661 VanDerWaalsContact O-N 3.16Å; N659-S661 PolarHBondContact OD1-OG 2.83Å; N659-K662 PolarHBondContact O-N 3.23Å; N659-K662 WeakPolarHBondContact OD1-CA 3.42Å; N659-K662 PolarHBondContact OD1-N 3.28Å; N659-N663 PolarHBondContact ND2-OD1 3.11Å; N659-N663 PolarHBondContact OD1-N 3.41Å; N659-N663 PolarHBondContact OD1-OD1 2.87Å; N659-G664 WeakPolarHBondContact CB-O 3.45Å; N659-G664 PolarHBondContact N-O 2.78Å; N659-G664 PolarHBondContact ND2-N 3.23Å; N659-G664 PolarHBondContact OD1-N 3.22Å; N659-G664 PolarHBondContact OD1-O 2.88Å |
| 660 | K | 86.5 | Confident | 94.5 | Very high | 147 Ų | 147 | 28.4 Ų | 28.4 | 64% | 0.639 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.1 | -177.3 | -68.4 | -177.2 | -179.1 | 177.8 | 0 | 113.3 | A721 | K660-A721 PolarHBondContact NZ-O 3.5Š|
| 661 | S | 86.2 | Confident | 94.5 | Very high | 82 Ų | 82 | 28.4 Ų | 28.4 | 57% | 0.573 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1.9 | 178.9 | 39.9 | 0 | 0 | 0 | 0 | 114.3 | N659 N663 | N659-S661 PolarHBondContact ND2-OG 2.94Å; N659-S661 PolarHBondContact O-N 2.94Å; N659-S661 VanDerWaalsContact O-N 3.16Å; N659-S661 PolarHBondContact OD1-OG 2.83Å; S661-N663 WeakPolarHBondContact CB-OD1 3.14Å; S661-N663 PolarHBondContact O-N 2.86Å; S661-N663 PolarHBondContact OG-OD1 2.85Å |
| 662 | K | 89 | Confident | 94.4 | Very high | 98 Ų | 98 | 28.8 Ų | 28.8 | 43% | 0.426 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 51.2 | 35.8 | -177.1 | -61 | -171.6 | 176.7 | -168.3 | 0 | 114.4 | T657 N659 | T657-K662 VanDerWaalsContact CB-O 3.32Å; T657-K662 WeakPolarHBondContact CB-O 3.21Å; T657-K662 VanDerWaalsContact CG2-O 3.28Å; T657-K662 WeakPolarHBondContact CG2-O 3.39Å; N659-K662 PolarHBondContact O-N 3.23Å; N659-K662 WeakPolarHBondContact OD1-CA 3.42Å; N659-K662 PolarHBondContact OD1-N 3.28Å |
| 663 | N | 91.6 | Very high | 94.2 | Very high | 53 Ų | 53 | 31.5 Ų | 31.5 | 28% | 0.283 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -126.7 | 13 | 179.3 | 77.8 | -37.5 | 0 | 0 | 0 | 114 | N659 S661 V692 L693 | N659-N663 PolarHBondContact ND2-OD1 3.11Å; N659-N663 PolarHBondContact OD1-N 3.41Å; N659-N663 PolarHBondContact OD1-OD1 2.87Å; S661-N663 WeakPolarHBondContact CB-OD1 3.14Å; S661-N663 PolarHBondContact O-N 2.86Å; S661-N663 PolarHBondContact OG-OD1 2.85Å; N663-V692 CarbonylContact O-C 3.48Å; N663-V692 VanDerWaalsContact O-CA 3.24Å; N663-V692 WeakPolarHBondContact O-CA 3.42Å; N663-L693 HydrophobicContact CB-CD1 4.49Å; N663-L693 PolarHBondContact O-N 3.44Å |
| 664 | G | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.1 | -164.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P656 T657 F658 N659 Y691 | P656-G664 CarbonylContact O-C 3.52Å; T657-G664 CarbonylContact C-O 3.59Å; F658-G664 PolarHBondContact N-O 2.96Å; N659-G664 WeakPolarHBondContact CB-O 3.45Å; N659-G664 PolarHBondContact N-O 2.78Å; N659-G664 PolarHBondContact ND2-N 3.23Å; N659-G664 PolarHBondContact OD1-N 3.22Å; N659-G664 PolarHBondContact OD1-O 2.88Å; G664-Y691 CarbonylContact C-O 3.59Å; G664-Y691 VanDerWaalsContact CA-O 3.25Å; G664-Y691 WeakPolarHBondContact CA-O 3.42Å |
| 665 | C | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 172.6 | 176.8 | 71.4 | 0 | 0 | 0 | 0 | 112.7 | P656 F658 S690 Y691 I698 I733 | P656-C665 WeakPolarHBondContact O-CB 3.26Å; F658-C665 HydrophobicContact CB-CB 3.94Å; C665-S690 WeakPolarHBondContact O-CA 3.4Å; C665-S690 PolarHBondContact O-OG 2.88Å; C665-Y691 PolarHBondContact N-O 3.38Å; C665-Y691 PolarHBondContact O-N 2.96Å; C665-Y691 VanDerWaalsContact O-O 3.07Å; C665-I698 VanDerWaalsContact SG-CD1 3.57Å; C665-I733 HydrophobicContact CB-CD1 4.37Å |
| 666 | R | 96.9 | Very high | 93.1 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | trans | -122.5 | 93.1 | 169.5 | -178.8 | 171.2 | -69.5 | -129.9 | -6.4 | 107 | Y685 D686 L688 H717 C718 | R666-Y685 PolarHBondContact NH1-O 3.44Å; R666-D686 PolarHBondContact NH1-O 2.99Å; R666-L688 WeakPolarHBondContact CD-O 3.12Å; R666-L688 HydrophobicContact CG-CB 3.73Å; R666-L688 WeakPolarHBondContact CG-O 3.39Å; R666-L688 PolarHBondContact NE-O 3.01Å; R666-L688 PolarHBondContact NH1-O 3.29Å; R666-H717 PolarHBondContact N-ND1 3.32Å; R666-H717 VanDerWaalsContact N-ND1 3.13Å; R666-H717 CarbonylContact O-C 3.57Å; R666-H717 WeakPolarHBondContact O-CA 3.12Å; R666-H717 PolarHBondContact O-ND1 2.89Å; R666-H717 VanDerWaalsContact O-ND1 3.13Å; R666-C718 PolarHBondContact O-N 2.93Å | ||
| 667 | P | 97.2 | Very high | 93.1 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.045 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 154.6 | -167.4 | 36.3 | -38.7 | 0 | 0 | 0 | 112.9 | R689 Y691 I698 I700 Y716 | P667-R689 WeakPolarHBondContact CD-O 3.42Å; P667-Y691 HydrophobicContact CG-CD2 3.8Å; P667-Y691 HydrophobicContact CG-CE2 3.86Å; P667-I698 HydrophobicContact CB-CD1 4.36Å; P667-I698 HydrophobicContact CG-CD1 4.13Å; P667-I698 HydrophobicContact CG-CG2 3.81Å; P667-I700 HydrophobicContact CB-CD1 4.15Å; P667-I700 HydrophobicContact CG-CD1 4.23Å; P667-Y716 CarbonylContact C-O 3.42Å; P667-Y716 VanDerWaalsContact CA-O 3.23Å; P667-Y716 WeakPolarHBondContact CA-O 3.29Å |
| 668 | Y | 97.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 47 Ų | 47 | 6% | 0.059 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 168.1 | 154.4 | 74.5 | -85 | 0 | 0 | 0 | 109.5 | E670 Y682 L688 Y716 C718 S730 | Y668-E670 HydrophobicContact CD2-CG 4.18Å; Y668-E670 HydrophobicContact CE2-CG 3.72Å; Y668-Y682 AromaticContact CD1-CD2 3.87Å; Y668-Y682 HydrophobicContact CD1-CD2 3.87Å; Y668-Y682 AromaticContact CD2-CD2 3.99Å; Y668-Y682 HydrophobicContact CD2-CD2 3.99Å; Y668-Y682 HydrophobicContact CD2-CG 4.35Å; Y668-Y682 AromaticContact CE1-CD2 3.71Å; Y668-Y682 HydrophobicContact CE1-CD2 3.71Å; Y668-Y682 HydrophobicContact CE1-CE2 4.23Å; Y668-Y682 AromaticContact CE2-CD2 3.85Å; Y668-Y682 HydrophobicContact CE2-CD2 3.85Å; Y668-Y682 HydrophobicContact CE2-CG 4.34Å; Y668-Y682 HydrophobicContact CG-CD2 4Å; Y668-Y682 AromaticContact CZ-CD2 3.7Å; Y668-L688 HydrophobicContact CD1-CD1 4.37Å; Y668-Y716 HydrophobicContact CD2-CD2 4.41Å; Y668-Y716 HydrophobicContact CE1-CD2 4.46Å; Y668-Y716 HydrophobicContact CE1-CG 4.06Å; Y668-Y716 AromaticContact CE2-CD2 3.73Å; Y668-Y716 HydrophobicContact CE2-CD2 3.73Å; Y668-Y716 HydrophobicContact CE2-CE2 4.47Å; Y668-Y716 HydrophobicContact CE2-CG 4.16Å; Y668-Y716 VanDerWaalsContact CZ-CB 3.49Å; Y668-Y716 AromaticContact CZ-CD2 3.75Å; Y668-Y716 AromaticContact CZ-CG 3.71Å; Y668-Y716 PolarHBondContact N-O 3.24Å; Y668-Y716 PolarHBondContact O-N 2.98Å; Y668-C718 HydrophobicContact CD1-CB 3.99Å; Y668-C718 HydrophobicContact CE1-CB 4.09Å; Y668-S730 WeakPolarHBondContact CE1-OG 3.34Å; Y668-S730 VanDerWaalsContact OH-CB 3.23Å; Y668-S730 WeakPolarHBondContact OH-CB 3.44Å; Y668-S730 PolarHBondContact OH-OG 3.5Å |
| 669 | V | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.7 | -175.4 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | L650 I671 S680 T681 I700 V713 I714 I715 | L650-V669 HydrophobicContact CD2-CG1 4.24Å; L650-V669 HydrophobicContact CD2-CG2 3.63Å; V669-I671 HydrophobicContact CG1-CD1 4.5Å; V669-I671 HydrophobicContact CG1-CG1 4Å; V669-S680 CarbonylContact O-C 3.59Å; V669-S680 WeakPolarHBondContact O-CA 3.34Å; V669-T681 PolarHBondContact N-OG1 3.31Å; V669-T681 PolarHBondContact O-N 3.05Å; V669-T681 PolarHBondContact O-OG1 2.85Å; V669-I700 HydrophobicContact CG2-CD1 3.7Å; V669-I700 HydrophobicContact CG2-CG2 4.37Å; V669-V713 HydrophobicContact CG1-CG1 3.82Å; V669-I714 CarbonylContact C-O 3.53Å; V669-I714 VanDerWaalsContact CA-O 3.32Å; V669-I714 WeakPolarHBondContact CA-O 3.46Å; V669-I715 HydrophobicContact CG2-CG1 4.48Å; V669-I715 HydrophobicContact CG2-CG2 4.42Å |
| 670 | E | 97.7 | Very high | 93.7 | Very high | 22 Ų | 22 | 49.9 Ų | 49.9 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140 | 165.5 | -52.8 | -140.7 | 121.7 | 0 | 0 | 109.9 | Y668 F672 K677 Y679 S680 I714 Y716 | Y668-E670 HydrophobicContact CD2-CG 4.18Å; Y668-E670 HydrophobicContact CE2-CG 3.72Å; E670-F672 HydrophobicContact CB-CE2 3.85Å; E670-K677 HydrophobicContact CB-CD 3.95Å; E670-K677 VanDerWaalsContact CD-CD 3.42Å; E670-K677 HydrophobicContact CG-CD 4.22Å; E670-K677 WeakPolarHBondContact OE1-CD 3.28Å; E670-K677 IonicContact OE1-NZ 2.69Å; E670-K677 PolarHBondContact OE1-NZ 2.99Å; E670-K677 VanDerWaalsContact OE2-CD 3.31Å; E670-K677 WeakPolarHBondContact OE2-CD 3.39Å; E670-K677 IonicContact OE2-NZ 2.69Å; E670-K677 PolarHBondContact OE2-NZ 3.37Å; E670-Y679 WeakPolarHBondContact CA-O 3.35Å; E670-S680 WeakPolarHBondContact OE1-CB 3.36Å; E670-S680 PolarHBondContact OE1-OG 2.9Å; E670-I714 PolarHBondContact N-O 3.03Å; E670-I714 PolarHBondContact O-N 3.38Å; E670-Y716 HydrophobicContact CB-CE2 4.37Å; E670-Y716 HydrophobicContact CG-CD2 4.17Å; E670-Y716 HydrophobicContact CG-CE2 3.91Å |
| 671 | I | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.7 | 179.7 | -53.3 | -175.4 | 0 | 0 | 0 | 109.1 | L647 V669 V678 Y679 L702 L705 T712 V713 | L647-I671 HydrophobicContact CD1-CD1 3.82Å; V669-I671 HydrophobicContact CG1-CD1 4.5Å; V669-I671 HydrophobicContact CG1-CG1 4Å; I671-V678 HydrophobicContact CB-CG2 4.32Å; I671-V678 HydrophobicContact CG2-CG2 4.01Å; I671-V678 WeakPolarHBondContact O-CG2 3.42Å; I671-V678 PolarHBondContact O-N 3.04Å; I671-Y679 HydrophobicContact CD1-CD1 4.37Å; I671-Y679 PolarHBondContact N-O 2.95Å; I671-Y679 PolarHBondContact O-N 3.38Å; I671-L702 HydrophobicContact CD1-CD1 3.9Å; I671-L702 HydrophobicContact CD1-CD2 3.89Å; I671-L702 HydrophobicContact CD1-CG 4.45Å; I671-L705 HydrophobicContact CB-CD2 4.36Å; I671-L705 HydrophobicContact CD1-CD2 4.03Å; I671-L705 HydrophobicContact CG2-CD2 4.29Å; I671-T712 CarbonylContact C-O 3.52Å; I671-T712 WeakPolarHBondContact CA-O 2.88Å; I671-V713 HydrophobicContact CG1-CG1 4.5Å; I671-V713 HydrophobicContact CG1-CG2 4.32Å; I671-V713 HydrophobicContact CG2-CG2 4.39Å |
| 672 | F | 96.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 11% | 0.11 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.5 | 179.6 | -59.4 | -112.9 | 0 | 0 | 0 | 110.5 | E670 T676 K677 L711 T712 I714 | E670-F672 HydrophobicContact CB-CE2 3.85Å; F672-T676 CarbonylContact C-O 3.56Å; F672-T676 WeakPolarHBondContact CA-O 3.39Å; F672-K677 HydrophobicContact CD1-CB 3.78Å; F672-K677 HydrophobicContact CE1-CB 3.68Å; F672-K677 HydrophobicContact CE1-CD 4.44Å; F672-K677 HydrophobicContact CE1-CG 4.35Å; F672-K677 HydrophobicContact CE2-CD 4.32Å; F672-K677 HydrophobicContact CE2-CG 4.48Å; F672-K677 HydrophobicContact CG-CB 4.32Å; F672-K677 HydrophobicContact CZ-CB 4.12Å; F672-K677 HydrophobicContact CZ-CD 4.03Å; F672-K677 HydrophobicContact CZ-CG 4.31Å; F672-L711 CarbonylContact O-C 3.51Å; F672-L711 WeakPolarHBondContact O-CA 3.26Å; F672-T712 PolarHBondContact N-O 3.08Å; F672-T712 PolarHBondContact O-N 2.99Å; F672-I714 HydrophobicContact CD2-CD1 4.27Å; F672-I714 HydrophobicContact CE2-CD1 3.75Å; F672-I714 HydrophobicContact CE2-CG1 4.29Å; F672-I714 HydrophobicContact CZ-CD1 4.48Å |
| 673 | E | 94 | Very high | 94.6 | Very high | 56 Ų | 56 | 42 Ų | 42 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 112.1 | 164.4 | -166.1 | 175.2 | 103.9 | 0 | 0 | 107.5 | K675 T676 V678 L708 L711 | E673-K675 PolarHBondContact O-N 2.91Å; E673-K675 VanDerWaalsContact O-N 3.11Å; E673-T676 PolarHBondContact N-O 2.85Å; E673-T676 PolarHBondContact O-N 3.44Å; E673-V678 HydrophobicContact CB-CG1 3.73Å; E673-V678 HydrophobicContact CB-CG2 4.47Å; E673-L708 WeakPolarHBondContact CG-O 3.39Å; E673-L708 PolarHBondContact OE2-N 3.05Å; E673-L711 HydrophobicContact CG-CD2 4.39Å |
| 674 | G | 89.3 | Confident | 94.4 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 26% | 0.258 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -112.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112 | D710 | G674-D710 PolarHBondContact N-O 3.03Š|
| 675 | K | 85.2 | Confident | 94.1 | Very high | 152 Ų | 152 | 46.9 Ų | 46.9 | 66% | 0.661 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | -16.4 | 176.4 | -62.8 | 169.8 | -174 | 164.2 | 0 | 113.1 | D262 E673 | D262-K675 IonicContact OD1-NZ 3.47Å; D262-K675 PolarHBondContact OD1-NZ 3.27Å; E673-K675 PolarHBondContact O-N 2.91Å; E673-K675 VanDerWaalsContact O-N 3.11Å |
| 676 | T | 90.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 52.4 Ų | 52.4 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 123.9 | -169.8 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | F672 E673 V678 | F672-T676 CarbonylContact C-O 3.56Å; F672-T676 WeakPolarHBondContact CA-O 3.39Å; E673-T676 PolarHBondContact N-O 2.85Å; E673-T676 PolarHBondContact O-N 3.44Å; T676-V678 PolarHBondContact O-N 2.93Å |
| 677 | K | 95.4 | Very high | 93.5 | Very high | 102 Ų | 102 | 56 Ų | 56 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 111.8 | 173.1 | -175.5 | 163.4 | 60 | -178 | 0 | 109.9 | E670 F672 | E670-K677 HydrophobicContact CB-CD 3.95Å; E670-K677 VanDerWaalsContact CD-CD 3.42Å; E670-K677 HydrophobicContact CG-CD 4.22Å; E670-K677 WeakPolarHBondContact OE1-CD 3.28Å; E670-K677 IonicContact OE1-NZ 2.69Å; E670-K677 PolarHBondContact OE1-NZ 2.99Å; E670-K677 VanDerWaalsContact OE2-CD 3.31Å; E670-K677 WeakPolarHBondContact OE2-CD 3.39Å; E670-K677 IonicContact OE2-NZ 2.69Å; E670-K677 PolarHBondContact OE2-NZ 3.37Å; F672-K677 HydrophobicContact CD1-CB 3.78Å; F672-K677 HydrophobicContact CE1-CB 3.68Å; F672-K677 HydrophobicContact CE1-CD 4.44Å; F672-K677 HydrophobicContact CE1-CG 4.35Å; F672-K677 HydrophobicContact CE2-CD 4.32Å; F672-K677 HydrophobicContact CE2-CG 4.48Å; F672-K677 HydrophobicContact CG-CB 4.32Å; F672-K677 HydrophobicContact CZ-CB 4.12Å; F672-K677 HydrophobicContact CZ-CD 4.03Å; F672-K677 HydrophobicContact CZ-CG 4.31Å |
| 678 | V | 95.2 | Very high | 93.3 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 35% | 0.345 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -24.3 | -179.7 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | I671 E673 T676 L705 V707 | I671-V678 HydrophobicContact CB-CG2 4.32Å; I671-V678 HydrophobicContact CG2-CG2 4.01Å; I671-V678 WeakPolarHBondContact O-CG2 3.42Å; I671-V678 PolarHBondContact O-N 3.04Å; E673-V678 HydrophobicContact CB-CG1 3.73Å; E673-V678 HydrophobicContact CB-CG2 4.47Å; T676-V678 PolarHBondContact O-N 2.93Å; V678-L705 HydrophobicContact CG2-CD2 4.24Å; V678-V707 HydrophobicContact CG2-CG1 4.24Å |
| 679 | Y | 96.4 | Very high | 93.1 | Very high | 53 Ų | 53 | 62.5 Ų | 62.5 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 153.1 | -179.1 | -167.8 | -117 | 0 | 0 | 0 | 112.8 | E670 I671 T681 L702 N703 L705 | E670-Y679 WeakPolarHBondContact CA-O 3.35Å; I671-Y679 HydrophobicContact CD1-CD1 4.37Å; I671-Y679 PolarHBondContact N-O 2.95Å; I671-Y679 PolarHBondContact O-N 3.38Å; Y679-T681 HydrophobicContact CD1-CG2 4.21Å; Y679-T681 HydrophobicContact CE1-CG2 3.44Å; Y679-T681 VanDerWaalsContact CE1-CG2 3.44Å; Y679-L702 HydrophobicContact CD1-CD2 4.24Å; Y679-L702 HydrophobicContact CE1-CD2 3.92Å; Y679-N703 PolarHBondContact OH-ND2 3.16Å; Y679-N703 VanDerWaalsContact OH-ND2 3.11Å; Y679-L705 VanDerWaalsContact CB-CD2 3.47Å; Y679-L705 HydrophobicContact CD1-CD2 4.26Å; Y679-L705 HydrophobicContact CD2-CD1 4.14Å; Y679-L705 HydrophobicContact CG-CD1 4.21Å; Y679-L705 HydrophobicContact CG-CD2 3.94Å |
| 680 | S | 96.2 | Very high | 92.9 | Very high | 39 Ų | 39 | 64.9 Ų | 64.9 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 135.2 | 170.6 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | V669 E670 Y682 | V669-S680 CarbonylContact O-C 3.59Å; V669-S680 WeakPolarHBondContact O-CA 3.34Å; E670-S680 WeakPolarHBondContact OE1-CB 3.36Å; E670-S680 PolarHBondContact OE1-OG 2.9Å; S680-Y682 VanDerWaalsContact C-N 3.3Å; S680-Y682 WeakPolarHBondContact OG-CB 3.19Å; S680-Y682 PolarHBondContact OG-N 2.7Å |
| 681 | T | 95.7 | Very high | 92.9 | Very high | 33 Ų | 33 | 64.9 Ų | 64.9 | 20% | 0.202 | 33% | 0.33 | C | S | . | . | trans | -95 | 16.7 | 171.1 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | V669 Y679 A683 I700 | V669-T681 PolarHBondContact N-OG1 3.31Å; V669-T681 PolarHBondContact O-N 3.05Å; V669-T681 PolarHBondContact O-OG1 2.85Å; Y679-T681 HydrophobicContact CD1-CG2 4.21Å; Y679-T681 HydrophobicContact CE1-CG2 3.44Å; Y679-T681 VanDerWaalsContact CE1-CG2 3.44Å; T681-A683 PolarHBondContact O-N 3.03Å; T681-I700 HydrophobicContact CG2-CG2 3.85Å | ||
| 682 | Y | 94 | Very high | 92.8 | Very high | 90 Ų | 90 | 67.1 Ų | 67.1 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | trans | -65.2 | 127.7 | 172.2 | -174.7 | -90.2 | 0 | 0 | 0 | 111 | Y668 S680 L688 | Y668-Y682 AromaticContact CD1-CD2 3.87Å; Y668-Y682 HydrophobicContact CD1-CD2 3.87Å; Y668-Y682 AromaticContact CD2-CD2 3.99Å; Y668-Y682 HydrophobicContact CD2-CD2 3.99Å; Y668-Y682 HydrophobicContact CD2-CG 4.35Å; Y668-Y682 AromaticContact CE1-CD2 3.71Å; Y668-Y682 HydrophobicContact CE1-CD2 3.71Å; Y668-Y682 HydrophobicContact CE1-CE2 4.23Å; Y668-Y682 AromaticContact CE2-CD2 3.85Å; Y668-Y682 HydrophobicContact CE2-CD2 3.85Å; Y668-Y682 HydrophobicContact CE2-CG 4.34Å; Y668-Y682 HydrophobicContact CG-CD2 4Å; Y668-Y682 AromaticContact CZ-CD2 3.7Å; S680-Y682 VanDerWaalsContact C-N 3.3Å; S680-Y682 WeakPolarHBondContact OG-CB 3.19Å; S680-Y682 PolarHBondContact OG-N 2.7Å; Y682-L688 HydrophobicContact CD2-CD1 4.32Å; Y682-L688 HydrophobicContact CE2-CD1 4.34Å | ||
| 683 | A | 90.3 | Very high | 92.5 | Very high | 38 Ų | 38 | 70 Ų | 70 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | trans | -124.7 | 173.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | T681 N687 L688 | T681-A683 PolarHBondContact O-N 3.03Å; A683-N687 HydrophobicContact CB-CB 4.11Å; A683-L688 HydrophobicContact CB-CD2 4.13Å; A683-L688 HydrophobicContact CB-CG 4.29Å; A683-L688 WeakPolarHBondContact O-CD1 3.06Å | ||
| 684 | D | 87.1 | Confident | 92.4 | Very high | 107 Ų | 107 | 74.6 Ų | 74.6 | 57% | 0.572 | 38% | 0.381 | S | S | * | . | trans | -50.5 | 146.4 | 173.1 | -62 | -61.1 | 0 | 0 | 0 | 111.8 | D686 N687 L688 | D684-D686 PolarHBondContact O-N 3.31Å; D684-N687 WeakPolarHBondContact O-CB 3.14Å; D684-N687 PolarHBondContact O-N 2.92Å; D684-L688 PolarHBondContact O-N 3.35Å | ||
| 685 | Y | 89.3 | Confident | 92.8 | Very high | 48 Ų | 48 | 76.2 Ų | 76.2 | 19% | 0.188 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -42.9 | -170.4 | 176.2 | -94.2 | 0 | 0 | 0 | 112.9 | R666 | R666-Y685 PolarHBondContact NH1-O 3.44Š|
| 686 | D | 87.2 | Confident | 93.2 | Very high | 117 Ų | 117 | 70.9 Ų | 70.9 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -29.7 | -177.3 | -60.9 | -56 | 0 | 0 | 0 | 113.3 | R666 D684 | R666-D686 PolarHBondContact NH1-O 2.99Å; D684-D686 PolarHBondContact O-N 3.31Å |
| 687 | N | 91.7 | Very high | 93.5 | Very high | 122 Ų | 122 | 72.3 Ų | 72.3 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -23.4 | 178.1 | -70.7 | -31.9 | 0 | 0 | 0 | 113.3 | A683 D684 R689 | A683-N687 HydrophobicContact CB-CB 4.11Å; D684-N687 WeakPolarHBondContact O-CB 3.14Å; D684-N687 PolarHBondContact O-N 2.92Å; N687-R689 PolarHBondContact O-N 3.08Å |
| 688 | L | 93 | Very high | 93.6 | Very high | 14 Ų | 14 | 67.5 Ų | 67.5 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -69.9 | 119 | 175.8 | -72.4 | 172.7 | 0 | 0 | 0 | 111.6 | R666 Y668 Y682 A683 D684 S690 C718 | R666-L688 WeakPolarHBondContact CD-O 3.12Å; R666-L688 HydrophobicContact CG-CB 3.73Å; R666-L688 WeakPolarHBondContact CG-O 3.39Å; R666-L688 PolarHBondContact NE-O 3.01Å; R666-L688 PolarHBondContact NH1-O 3.29Å; Y668-L688 HydrophobicContact CD1-CD1 4.37Å; Y682-L688 HydrophobicContact CD2-CD1 4.32Å; Y682-L688 HydrophobicContact CE2-CD1 4.34Å; A683-L688 HydrophobicContact CB-CD2 4.13Å; A683-L688 HydrophobicContact CB-CG 4.29Å; A683-L688 WeakPolarHBondContact O-CD1 3.06Å; D684-L688 PolarHBondContact O-N 3.35Å; L688-S690 PolarHBondContact O-N 3.37Å; L688-C718 HydrophobicContact CD1-CB 3.61Å |
| 689 | R | 94.7 | Very high | 93.7 | Very high | 144 Ų | 144 | 68.2 Ų | 68.2 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 132.7 | 176.2 | 175.5 | 171.4 | 169.7 | -174.3 | 1.1 | 111.1 | P667 N687 Y691 D695 | P667-R689 WeakPolarHBondContact CD-O 3.42Å; N687-R689 PolarHBondContact O-N 3.08Å; R689-Y691 HydrophobicContact CB-CE2 3.98Å; R689-Y691 HydrophobicContact CG-CD2 4.01Å; R689-Y691 HydrophobicContact CG-CE2 3.62Å; R689-D695 IonicContact CZ-OD1 3.52Å; R689-D695 IonicContact NH2-OD1 3.71Å; R689-D695 PolarHBondContact NH2-OD1 3.03Å |
| 690 | S | 94.2 | Very high | 93.7 | Very high | 49 Ų | 49 | 66.7 Ų | 66.7 | 34% | 0.343 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 143.8 | 164.2 | -147.5 | 0 | 0 | 0 | 0 | 109.9 | C665 L688 | C665-S690 WeakPolarHBondContact O-CA 3.4Å; C665-S690 PolarHBondContact O-OG 2.88Å; L688-S690 PolarHBondContact O-N 3.37Å |
| 691 | Y | 97.4 | Very high | 93.6 | Very high | 23 Ų | 23 | 70 Ų | 70 | 9% | 0.09 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.3 | 171.9 | -65.3 | -102.3 | 0 | 0 | 0 | 109.2 | G664 C665 P667 R689 D695 I698 | G664-Y691 CarbonylContact C-O 3.59Å; G664-Y691 VanDerWaalsContact CA-O 3.25Å; G664-Y691 WeakPolarHBondContact CA-O 3.42Å; C665-Y691 PolarHBondContact N-O 3.38Å; C665-Y691 PolarHBondContact O-N 2.96Å; C665-Y691 VanDerWaalsContact O-O 3.07Å; P667-Y691 HydrophobicContact CG-CD2 3.8Å; P667-Y691 HydrophobicContact CG-CE2 3.86Å; R689-Y691 HydrophobicContact CB-CE2 3.98Å; R689-Y691 HydrophobicContact CG-CD2 4.01Å; R689-Y691 HydrophobicContact CG-CE2 3.62Å; Y691-D695 VanDerWaalsContact CA-OD2 3.24Å; Y691-D695 WeakPolarHBondContact CA-OD2 3.47Å; Y691-D695 HydrophobicContact CD1-CB 3.96Å; Y691-I698 HydrophobicContact CD1-CB 4.41Å; Y691-I698 HydrophobicContact CD1-CG1 4.14Å; Y691-I698 HydrophobicContact CD1-CG2 4.34Å; Y691-I698 HydrophobicContact CD2-CG1 4.4Å; Y691-I698 HydrophobicContact CD2-CG2 4.03Å; Y691-I698 HydrophobicContact CE1-CB 4.38Å; Y691-I698 HydrophobicContact CE1-CG2 4.04Å; Y691-I698 HydrophobicContact CE2-CG2 3.71Å; Y691-I698 HydrophobicContact CG-CG1 4.03Å; Y691-I698 HydrophobicContact CG-CG2 4.34Å |
| 692 | V | 95.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 68.4 Ų | 68.4 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 170.3 | 174.3 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | V655 N663 E694 D695 | V655-V692 WeakPolarHBondContact CG2-O 3.35Å; N663-V692 CarbonylContact O-C 3.48Å; N663-V692 VanDerWaalsContact O-CA 3.24Å; N663-V692 WeakPolarHBondContact O-CA 3.42Å; V692-E694 VanDerWaalsContact CB-OE2 3.28Å; V692-E694 WeakPolarHBondContact CB-OE2 3.48Å; V692-E694 HydrophobicContact CG2-CB 4.09Å; V692-E694 WeakPolarHBondContact CG2-OE2 3.39Å; V692-E694 PolarHBondContact O-N 2.89Å; V692-D695 WeakPolarHBondContact CG2-OD2 3.48Å; V692-D695 PolarHBondContact N-OD2 2.82Å; V692-D695 WeakPolarHBondContact O-CB 3.47Å; V692-D695 PolarHBondContact O-N 2.96Å |
| 693 | L | 91.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 70 Ų | 70 | 45% | 0.45 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -55.4 | -33.5 | 179.4 | -74.7 | 167.7 | 0 | 0 | 0 | 112.3 | V655 T657 N663 D695 G696 | V655-L693 WeakPolarHBondContact O-CD2 3.39Å; T657-L693 HydrophobicContact CG2-CD1 4.09Å; T657-L693 HydrophobicContact CG2-CD2 3.82Å; T657-L693 HydrophobicContact CG2-CG 4.05Å; N663-L693 HydrophobicContact CB-CD1 4.49Å; N663-L693 PolarHBondContact O-N 3.44Å; L693-D695 VanDerWaalsContact C-N 3.3Å; L693-D695 PolarHBondContact O-N 3.31Å; L693-G696 PolarHBondContact O-N 3.13Å; L693-G696 VanDerWaalsContact O-N 3.09Å |
| 694 | E | 92.1 | Very high | 93 | Very high | 151 Ų | 151 | 69.8 Ų | 69.8 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -69.7 | -18.5 | 179.4 | -59.4 | 82.3 | 174 | 0 | 0 | 113.9 | V692 G696 | V692-E694 VanDerWaalsContact CB-OE2 3.28Å; V692-E694 WeakPolarHBondContact CB-OE2 3.48Å; V692-E694 HydrophobicContact CG2-CB 4.09Å; V692-E694 WeakPolarHBondContact CG2-OE2 3.39Å; V692-E694 PolarHBondContact O-N 2.89Å; E694-G696 PolarHBondContact O-N 2.99Å |
| 695 | D | 95.7 | Very high | 93.2 | Very high | 59 Ų | 59 | 66.4 Ų | 66.4 | 32% | 0.316 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -68.8 | -19.5 | 169.2 | -72.3 | -85.1 | 0 | 0 | 0 | 111.9 | V655 R689 Y691 V692 L693 K697 | V655-D695 HydrophobicContact CG2-CB 4.25Å; R689-D695 IonicContact CZ-OD1 3.52Å; R689-D695 IonicContact NH2-OD1 3.71Å; R689-D695 PolarHBondContact NH2-OD1 3.03Å; Y691-D695 VanDerWaalsContact CA-OD2 3.24Å; Y691-D695 WeakPolarHBondContact CA-OD2 3.47Å; Y691-D695 HydrophobicContact CD1-CB 3.96Å; V692-D695 WeakPolarHBondContact CG2-OD2 3.48Å; V692-D695 PolarHBondContact N-OD2 2.82Å; V692-D695 WeakPolarHBondContact O-CB 3.47Å; V692-D695 PolarHBondContact O-N 2.96Å; L693-D695 VanDerWaalsContact C-N 3.3Å; L693-D695 PolarHBondContact O-N 3.31Å; D695-K697 PolarHBondContact O-N 3.49Å |
| 696 | G | 94.1 | Very high | 93.4 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | trans | 72.7 | -54.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P654 V655 L693 E694 | P654-G696 WeakPolarHBondContact CA-O 3.24Å; V655-G696 PolarHBondContact N-O 3.44Å; L693-G696 PolarHBondContact O-N 3.13Å; L693-G696 VanDerWaalsContact O-N 3.09Å; E694-G696 PolarHBondContact O-N 2.99Å | ||
| 697 | K | 96.3 | Very high | 93.8 | Very high | 100 Ų | 100 | 61.6 Ų | 61.6 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | trans | -134.7 | 155.4 | 176.6 | 69.8 | 170.9 | -172.1 | 160.3 | 0 | 112.5 | I651 I652 A653 D695 | I651-K697 HydrophobicContact CG2-CB 4.49Å; I651-K697 HydrophobicContact CG2-CD 4.05Å; I652-K697 WeakPolarHBondContact O-CA 3.43Å; A653-K697 HydrophobicContact CB-CB 3.92Å; D695-K697 PolarHBondContact O-N 3.49Å | ||
| 698 | I | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 140.5 | 167.2 | -46.2 | 177.2 | 0 | 0 | 0 | 107.2 | I651 I652 V655 C665 P667 Y691 I700 | I651-I698 CarbonylContact C-O 3.6Å; I651-I698 VanDerWaalsContact CA-O 3.3Å; I651-I698 WeakPolarHBondContact CA-O 3.45Å; I652-I698 HydrophobicContact CB-CB 4.06Å; I652-I698 HydrophobicContact CB-CD1 4.2Å; I652-I698 HydrophobicContact CB-CG1 4.33Å; I652-I698 HydrophobicContact CD1-CB 4.31Å; I652-I698 HydrophobicContact CD1-CD1 4.06Å; I652-I698 HydrophobicContact CD1-CG2 4.37Å; I652-I698 HydrophobicContact CG2-CD1 4.44Å; I652-I698 PolarHBondContact N-O 2.97Å; I652-I698 PolarHBondContact O-N 3.34Å; V655-I698 HydrophobicContact CG1-CD1 4.27Å; V655-I698 HydrophobicContact CG1-CG1 4.36Å; V655-I698 HydrophobicContact CG2-CG1 4Å; C665-I698 VanDerWaalsContact SG-CD1 3.57Å; P667-I698 HydrophobicContact CB-CD1 4.36Å; P667-I698 HydrophobicContact CG-CD1 4.13Å; P667-I698 HydrophobicContact CG-CG2 3.81Å; Y691-I698 HydrophobicContact CD1-CB 4.41Å; Y691-I698 HydrophobicContact CD1-CG1 4.14Å; Y691-I698 HydrophobicContact CD1-CG2 4.34Å; Y691-I698 HydrophobicContact CD2-CG1 4.4Å; Y691-I698 HydrophobicContact CD2-CG2 4.03Å; Y691-I698 HydrophobicContact CE1-CB 4.38Å; Y691-I698 HydrophobicContact CE1-CG2 4.04Å; Y691-I698 HydrophobicContact CE2-CG2 3.71Å; Y691-I698 HydrophobicContact CG-CG1 4.03Å; Y691-I698 HydrophobicContact CG-CG2 4.34Å; I698-I700 HydrophobicContact CG2-CD1 4.14Å; I698-I700 HydrophobicContact CG2-CG1 3.94Å |
| 699 | Q | 97.3 | Very high | 93.8 | Very high | 73 Ų | 73 | 57 Ų | 57 | 34% | 0.341 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 129.2 | 166.9 | -172.9 | 159.6 | 9.1 | 0 | 0 | 109.1 | S649 L650 I651 E782 | S649-Q699 PolarHBondContact OG-NE2 2.92Å; L650-Q699 WeakPolarHBondContact O-CA 3.36Å; I651-Q699 HydrophobicContact CD1-CG 4.49Å; I651-Q699 HydrophobicContact CG1-CB 4.21Å; I651-Q699 HydrophobicContact CG1-CG 3.78Å; Q699-E782 PolarHBondContact NE2-OE2 3.03Å |
| 700 | I | 96.8 | Very high | 93.9 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 117.8 | -175.7 | -61.1 | 177.7 | 0 | 0 | 0 | 107.6 | S649 L650 I652 P667 V669 T681 I698 | S649-I700 CarbonylContact C-O 3.59Å; S649-I700 VanDerWaalsContact CA-O 3.25Å; S649-I700 WeakPolarHBondContact CA-O 3.37Å; S649-I700 WeakPolarHBondContact CB-O 3.41Å; L650-I700 PolarHBondContact N-O 2.85Å; L650-I700 PolarHBondContact O-N 3.26Å; I652-I700 HydrophobicContact CD1-CD1 4.43Å; P667-I700 HydrophobicContact CB-CD1 4.15Å; P667-I700 HydrophobicContact CG-CD1 4.23Å; V669-I700 HydrophobicContact CG2-CD1 3.7Å; V669-I700 HydrophobicContact CG2-CG2 4.37Å; T681-I700 HydrophobicContact CG2-CG2 3.85Å; I698-I700 HydrophobicContact CG2-CD1 4.14Å; I698-I700 HydrophobicContact CG2-CG1 3.94Å |
| 701 | L | 94.2 | Very high | 94.1 | Very high | 108 Ų | 108 | 48.9 Ų | 48.9 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 134 | 178.4 | -61.2 | 177.1 | 0 | 0 | 0 | 110.8 | N703 | L701-N703 WeakPolarHBondContact CB-OD1 3.32Å |
| 702 | L | 94 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 3.6 | 176.8 | -58.7 | -179.4 | 0 | 0 | 0 | 112.1 | L647 I648 L650 I671 Y679 G704 L705 L781 | L647-L702 HydrophobicContact CB-CB 4.01Å; L647-L702 HydrophobicContact CB-CD1 3.8Å; L647-L702 HydrophobicContact CD1-CD1 4.21Å; L647-L702 CarbonylContact O-C 3.6Å; L647-L702 WeakPolarHBondContact O-CB 3.42Å; I648-L702 PolarHBondContact O-N 3.1Å; L650-L702 HydrophobicContact CB-CD1 4.3Å; I671-L702 HydrophobicContact CD1-CD1 3.9Å; I671-L702 HydrophobicContact CD1-CD2 3.89Å; I671-L702 HydrophobicContact CD1-CG 4.45Å; Y679-L702 HydrophobicContact CD1-CD2 4.24Å; Y679-L702 HydrophobicContact CE1-CD2 3.92Å; L702-G704 PolarHBondContact O-N 3.31Å; L702-G704 VanDerWaalsContact O-N 3.1Å; L702-L705 WeakPolarHBondContact O-CB 3.38Å; L702-L705 PolarHBondContact O-N 2.91Å; L702-L781 HydrophobicContact CD1-CD1 3.71Å |
| 703 | N | 87.7 | Confident | 94.2 | Very high | 124 Ų | 124 | 45.7 Ų | 45.7 | 66% | 0.663 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56.6 | 26.1 | 166.8 | -59.9 | -22.3 | 0 | 0 | 0 | 115.5 | Y679 L701 | Y679-N703 PolarHBondContact OH-ND2 3.16Å; Y679-N703 VanDerWaalsContact OH-ND2 3.11Å; L701-N703 WeakPolarHBondContact CB-OD1 3.32Å |
| 704 | G | 84.6 | Confident | 94.5 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.5 | 14.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L647 L702 T706 | L647-G704 CarbonylContact O-C 3.52Å; L647-G704 WeakPolarHBondContact O-CA 3.34Å; L647-G704 PolarHBondContact O-N 3.32Å; L702-G704 PolarHBondContact O-N 3.31Å; L702-G704 VanDerWaalsContact O-N 3.1Å; G704-T706 PolarHBondContact O-N 3.2Å |
| 705 | L | 92.4 | Very high | 94.8 | Very high | 35 Ų | 35 | 34.5 Ų | 34.5 | 18% | 0.183 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.7 | 112.2 | -177.4 | -177.6 | 79.3 | 0 | 0 | 0 | 112.4 | L647 I671 V678 Y679 L702 V707 | L647-L705 HydrophobicContact CB-CB 4.47Å; L647-L705 HydrophobicContact CD1-CD2 4.41Å; L647-L705 PolarHBondContact N-O 2.93Å; L647-L705 PolarHBondContact O-N 3.43Å; I671-L705 HydrophobicContact CB-CD2 4.36Å; I671-L705 HydrophobicContact CD1-CD2 4.03Å; I671-L705 HydrophobicContact CG2-CD2 4.29Å; V678-L705 HydrophobicContact CG2-CD2 4.24Å; Y679-L705 VanDerWaalsContact CB-CD2 3.47Å; Y679-L705 HydrophobicContact CD1-CD2 4.26Å; Y679-L705 HydrophobicContact CD2-CD1 4.14Å; Y679-L705 HydrophobicContact CG-CD1 4.21Å; Y679-L705 HydrophobicContact CG-CD2 3.94Å; L702-L705 WeakPolarHBondContact O-CB 3.38Å; L702-L705 PolarHBondContact O-N 2.91Å; L705-V707 HydrophobicContact CD2-CG1 3.75Å; L705-V707 HydrophobicContact CG-CG1 3.86Å |
| 706 | T | 93.8 | Very high | 94.8 | Very high | 65 Ų | 65 | 33.7 Ų | 33.7 | 40% | 0.399 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 123.4 | 176.9 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | P644 L645 N646 G704 | P644-T706 HydrophobicContact CB-CG2 3.51Å; P644-T706 HydrophobicContact CG-CG2 4.23Å; L645-T706 CarbonylContact O-C 3.56Å; L645-T706 WeakPolarHBondContact O-CA 3.38Å; N646-T706 WeakPolarHBondContact OD1-CB 3.47Å; N646-T706 WeakPolarHBondContact OD1-CG2 3.43Å; N646-T706 PolarHBondContact OD1-OG1 3.49Å; G704-T706 PolarHBondContact O-N 3.2Å |
| 707 | V | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 154.5 | -176.9 | -63 | 0 | 0 | 0 | 0 | 112.5 | P644 L645 L647 V678 L705 L711 | P644-V707 WeakPolarHBondContact CA-O 3.43Å; P644-V707 WeakPolarHBondContact CB-O 3.35Å; L645-V707 HydrophobicContact CB-CG2 4.18Å; L645-V707 PolarHBondContact N-O 2.96Å; L645-V707 WeakPolarHBondContact O-CG2 3.46Å; L645-V707 PolarHBondContact O-N 3.37Å; L647-V707 HydrophobicContact CD1-CG1 4.46Å; L647-V707 HydrophobicContact CD1-CG2 3.96Å; L647-V707 HydrophobicContact CD2-CG2 4.11Å; L647-V707 HydrophobicContact CG-CG2 3.89Å; V678-V707 HydrophobicContact CG2-CG1 4.24Å; L705-V707 HydrophobicContact CD2-CG1 3.75Å; L705-V707 HydrophobicContact CG-CG1 3.86Å; V707-L711 HydrophobicContact CB-CD1 4.31Å; V707-L711 HydrophobicContact CB-CD2 3.72Å; V707-L711 HydrophobicContact CG2-CD1 3.52Å; V707-L711 HydrophobicContact CG2-CD2 3.9Å; V707-L711 HydrophobicContact CG2-CG 4.37Å |
| 708 | L | 92.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 27.5 Ų | 27.5 | 13% | 0.131 | 15% | 0.154 | C | C | . | . | trans | -145.2 | 143.7 | -177.3 | -172.1 | 67 | 0 | 0 | 0 | 113.1 | H642 P644 E673 R790 | H642-L708 HydrophobicContact CB-CD1 4.45Å; H642-L708 VanDerWaalsContact O-CD1 3.26Å; H642-L708 WeakPolarHBondContact O-CD1 3.39Å; P644-L708 HydrophobicContact CG-CD1 4.36Å; E673-L708 WeakPolarHBondContact CG-O 3.39Å; E673-L708 PolarHBondContact OE2-N 3.05Å; L708-R790 HydrophobicContact CD2-CB 4.33Å | ||
| 709 | G | 93.5 | Very high | 94.4 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 81.6 | -140.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L711 H739 T740 | G709-L711 PolarHBondContact O-N 3.31Å; G709-H739 CarbonylContact O-C 3.58Å; G709-H739 WeakPolarHBondContact O-CA 3.43Å; G709-T740 PolarHBondContact N-OG1 3.32Å; G709-T740 PolarHBondContact O-N 3.26Å |
| 710 | D | 96.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 113 | -178 | -63.9 | -63.7 | 0 | 0 | 0 | 111.6 | T551 L552 Y625 G674 H739 | T551-D710 VanDerWaalsContact CA-OD2 3.28Å; T551-D710 WeakPolarHBondContact CA-OD2 3.37Å; T551-D710 WeakPolarHBondContact CB-OD2 3.28Å; T551-D710 HydrophobicContact CG2-CB 4.18Å; T551-D710 WeakPolarHBondContact CG2-OD2 3.45Å; L552-D710 WeakPolarHBondContact CB-OD1 3.44Å; L552-D710 PolarHBondContact N-OD1 2.68Å; L552-D710 PolarHBondContact N-OD2 3.03Å; Y625-D710 WeakPolarHBondContact CE1-OD1 3.23Å; Y625-D710 PolarHBondContact OH-OD1 3.26Å; Y625-D710 VanDerWaalsContact OH-OD1 3.13Å; G674-D710 PolarHBondContact N-O 3.03Å; D710-H739 IonicContact OD1-CD2 2.61Å; D710-H739 PolarHBondContact OD1-CD2 2.91Å |
| 711 | L | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.1 | 179.5 | -52.4 | -175.2 | 0 | 0 | 0 | 112 | F672 E673 V707 G709 Q737 L738 T740 | F672-L711 CarbonylContact O-C 3.51Å; F672-L711 WeakPolarHBondContact O-CA 3.26Å; E673-L711 HydrophobicContact CG-CD2 4.39Å; V707-L711 HydrophobicContact CB-CD1 4.31Å; V707-L711 HydrophobicContact CB-CD2 3.72Å; V707-L711 HydrophobicContact CG2-CD1 3.52Å; V707-L711 HydrophobicContact CG2-CD2 3.9Å; V707-L711 HydrophobicContact CG2-CG 4.37Å; G709-L711 PolarHBondContact O-N 3.31Å; L711-Q737 WeakPolarHBondContact O-CA 3.24Å; L711-Q737 WeakPolarHBondContact O-CB 3.07Å; L711-Q737 WeakPolarHBondContact O-CG 3.35Å; L711-L738 HydrophobicContact CB-CD2 4Å; L711-L738 HydrophobicContact CB-CG 4.21Å; L711-L738 HydrophobicContact CD1-CD1 4.27Å; L711-L738 HydrophobicContact CD1-CD2 4.08Å; L711-L738 HydrophobicContact CD1-CG 4.1Å; L711-L738 HydrophobicContact CG-CG 4.4Å; L711-L738 PolarHBondContact N-O 3.02Å; L711-L738 PolarHBondContact O-N 3.31Å; L711-T740 HydrophobicContact CD1-CG2 3.68Å; L711-T740 HydrophobicContact CD2-CG2 4.25Å; L711-T740 HydrophobicContact CG-CG2 3.93Å |
| 712 | T | 97.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.8 | 161.1 | -45.5 | 0 | 0 | 0 | 0 | 110.3 | R548 I671 F672 I714 Q735 Q737 | R548-T712 PolarHBondContact NH1-OG1 3.08Å; I671-T712 CarbonylContact C-O 3.52Å; I671-T712 WeakPolarHBondContact CA-O 2.88Å; F672-T712 PolarHBondContact N-O 3.08Å; F672-T712 PolarHBondContact O-N 2.99Å; T712-I714 HydrophobicContact CG2-CD1 4.13Å; T712-I714 HydrophobicContact CG2-CG1 3.77Å; T712-Q735 HydrophobicContact CG2-CG 3.99Å; T712-Q737 HydrophobicContact CG2-CG 3.77Å |
| 713 | V | 97.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.6 | 169.8 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | L650 V669 I671 Q735 F736 | L650-V713 HydrophobicContact CD1-CG1 4.49Å; L650-V713 HydrophobicContact CD2-CG1 4.25Å; V669-V713 HydrophobicContact CG1-CG1 3.82Å; I671-V713 HydrophobicContact CG1-CG1 4.5Å; I671-V713 HydrophobicContact CG1-CG2 4.32Å; I671-V713 HydrophobicContact CG2-CG2 4.39Å; V713-Q735 CarbonylContact O-C 3.54Å; V713-Q735 VanDerWaalsContact O-CA 3.27Å; V713-Q735 WeakPolarHBondContact O-CA 3.29Å; V713-F736 HydrophobicContact CB-CD1 4.18Å; V713-F736 HydrophobicContact CB-CD2 4.33Å; V713-F736 HydrophobicContact CB-CE1 3.71Å; V713-F736 HydrophobicContact CB-CE2 3.89Å; V713-F736 HydrophobicContact CB-CG 4.47Å; V713-F736 HydrophobicContact CB-CZ 3.56Å; V713-F736 HydrophobicContact CG1-CD1 4.47Å; V713-F736 HydrophobicContact CG1-CE1 3.67Å; V713-F736 HydrophobicContact CG1-CZ 3.71Å; V713-F736 HydrophobicContact CG2-CE1 4.42Å; V713-F736 HydrophobicContact CG2-CE2 3.81Å; V713-F736 HydrophobicContact CG2-CZ 3.76Å; V713-F736 PolarHBondContact N-O 3.42Å; V713-F736 PolarHBondContact O-N 3.01Å |
| 714 | I | 97.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126.7 | -180 | -46.2 | -176.8 | 0 | 0 | 0 | 109.8 | V669 E670 F672 T712 Y716 K732 Q735 | V669-I714 CarbonylContact C-O 3.53Å; V669-I714 VanDerWaalsContact CA-O 3.32Å; V669-I714 WeakPolarHBondContact CA-O 3.46Å; E670-I714 PolarHBondContact N-O 3.03Å; E670-I714 PolarHBondContact O-N 3.38Å; F672-I714 HydrophobicContact CD2-CD1 4.27Å; F672-I714 HydrophobicContact CE2-CD1 3.75Å; F672-I714 HydrophobicContact CE2-CG1 4.29Å; F672-I714 HydrophobicContact CZ-CD1 4.48Å; T712-I714 HydrophobicContact CG2-CD1 4.13Å; T712-I714 HydrophobicContact CG2-CG1 3.77Å; I714-Y716 HydrophobicContact CB-CD2 4.41Å; I714-Y716 HydrophobicContact CB-CE2 3.77Å; I714-Y716 HydrophobicContact CG2-CD2 3.94Å; I714-Y716 HydrophobicContact CG2-CE1 4.21Å; I714-Y716 HydrophobicContact CG2-CE2 3.33Å; I714-Y716 VanDerWaalsContact CG2-CZ 3.5Å; I714-K732 HydrophobicContact CG2-CD 3.89Å; I714-K732 HydrophobicContact CG2-CG 3.83Å; I714-Q735 HydrophobicContact CG1-CB 4.49Å; I714-Q735 HydrophobicContact CG1-CG 4.21Å; I714-Q735 HydrophobicContact CG2-CB 4.44Å |
| 715 | I | 97.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.7 | 179.3 | -44.3 | 180 | 0 | 0 | 0 | 108.8 | L650 I652 V669 I733 A734 V779 | L650-I715 HydrophobicContact CD2-CD1 3.76Å; L650-I715 HydrophobicContact CD2-CG1 3.95Å; I652-I715 HydrophobicContact CD1-CD1 3.95Å; I652-I715 HydrophobicContact CD1-CG2 3.71Å; I652-I715 HydrophobicContact CG1-CD1 4.09Å; V669-I715 HydrophobicContact CG2-CG1 4.48Å; V669-I715 HydrophobicContact CG2-CG2 4.42Å; I715-I733 HydrophobicContact CB-CB 4.3Å; I715-I733 HydrophobicContact CG2-CB 4.18Å; I715-I733 HydrophobicContact CG2-CD1 4.18Å; I715-I733 PolarHBondContact O-N 3.44Å; I715-A734 HydrophobicContact CD1-CB 4.37Å; I715-A734 PolarHBondContact N-O 2.88Å; I715-V779 HydrophobicContact CD1-CG1 4.02Å; I715-V779 HydrophobicContact CD1-CG2 3.78Å |
| 716 | Y | 97 | Very high | 85.1 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.6 | -176.2 | -70.5 | -84.2 | 0 | 0 | 0 | 112.5 | P667 Y668 E670 I714 V731 K732 | P667-Y716 CarbonylContact C-O 3.42Å; P667-Y716 VanDerWaalsContact CA-O 3.23Å; P667-Y716 WeakPolarHBondContact CA-O 3.29Å; Y668-Y716 HydrophobicContact CD2-CD2 4.41Å; Y668-Y716 HydrophobicContact CE1-CD2 4.46Å; Y668-Y716 HydrophobicContact CE1-CG 4.06Å; Y668-Y716 AromaticContact CE2-CD2 3.73Å; Y668-Y716 HydrophobicContact CE2-CD2 3.73Å; Y668-Y716 HydrophobicContact CE2-CE2 4.47Å; Y668-Y716 HydrophobicContact CE2-CG 4.16Å; Y668-Y716 VanDerWaalsContact CZ-CB 3.49Å; Y668-Y716 AromaticContact CZ-CD2 3.75Å; Y668-Y716 AromaticContact CZ-CG 3.71Å; Y668-Y716 PolarHBondContact N-O 3.24Å; Y668-Y716 PolarHBondContact O-N 2.98Å; E670-Y716 HydrophobicContact CB-CE2 4.37Å; E670-Y716 HydrophobicContact CG-CD2 4.17Å; E670-Y716 HydrophobicContact CG-CE2 3.91Å; I714-Y716 HydrophobicContact CB-CD2 4.41Å; I714-Y716 HydrophobicContact CB-CE2 3.77Å; I714-Y716 HydrophobicContact CG2-CD2 3.94Å; I714-Y716 HydrophobicContact CG2-CE1 4.21Å; I714-Y716 HydrophobicContact CG2-CE2 3.33Å; I714-Y716 VanDerWaalsContact CG2-CZ 3.5Å; Y716-V731 CarbonylContact C-O 3.16Å; Y716-V731 WeakPolarHBondContact CA-O 3.43Å; Y716-K732 HydrophobicContact CD1-CB 4.31Å; Y716-K732 HydrophobicContact CE1-CB 4.28Å |
| 717 | H | 95.4 | Very high | 84.2 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 118.5 | 159.8 | 174.2 | 32.6 | 0 | 0 | 0 | 109.7 | F658 R666 S730 V731 I733 | F658-H717 HydrophobicContact CB-CB 3.85Å; F658-H717 HydrophobicContact CD1-CB 4.13Å; F658-H717 HydrophobicContact CG-CB 4.24Å; F658-H717 PolarHBondContact O-CD2 3.29Å; R666-H717 PolarHBondContact N-ND1 3.32Å; R666-H717 VanDerWaalsContact N-ND1 3.13Å; R666-H717 CarbonylContact O-C 3.57Å; R666-H717 WeakPolarHBondContact O-CA 3.12Å; R666-H717 PolarHBondContact O-ND1 2.89Å; R666-H717 VanDerWaalsContact O-ND1 3.13Å; H717-S730 WeakPolarHBondContact O-CA 3.04Å; H717-V731 PolarHBondContact N-O 2.9Å; H717-V731 PolarHBondContact O-N 3.11Å; H717-I733 HydrophobicContact CB-CD1 3.97Å; H717-I733 HydrophobicContact CB-CG1 4.01Å |
| 718 | C | 95.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 122.9 | 170.7 | -165.5 | 0 | 0 | 0 | 0 | 110.9 | R666 Y668 L688 I728 | R666-C718 PolarHBondContact O-N 2.93Å; Y668-C718 HydrophobicContact CD1-CB 3.99Å; Y668-C718 HydrophobicContact CE1-CB 4.09Å; L688-C718 HydrophobicContact CD1-CB 3.61Å; C718-I728 WeakPolarHBondContact SG-CG2 3.36Å |
| 719 | R | 88.5 | Confident | 83.4 | Confident | 114 Ų | 114 | 53.9 Ų | 53.9 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.2 | -174.6 | 173.6 | -178.9 | 168.1 | 172.5 | -3.5 | 110.9 | S729 | R719-S729 WeakPolarHBondContact CA-O 3.29Å; R719-S729 PolarHBondContact N-O 2.99Å; R719-S729 PolarHBondContact O-N 2.93Å; R719-S729 VanDerWaalsContact O-O 3.12Å; R719-S729 PolarHBondContact O-OG 3.28Å |
| 720 | S | 83.4 | Confident | 83.3 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 136.4 | 164.9 | -173 | 0 | 0 | 0 | 0 | 110.8 | F722 G726 | S720-F722 PolarHBondContact OG-O 2.85Å; S720-G726 PolarHBondContact OG-O 2.74Å |
| 721 | A | 71.3 | Confident | 83.1 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -65 | -51 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K660 | K660-A721 PolarHBondContact NZ-O 3.5Š|
| 722 | F | 64.9 | Low | 82.9 | Confident | 162 Ų | 162 | 59 Ų | 59 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -125.2 | 130.1 | 175.4 | -72.5 | -94.4 | 0 | 0 | 0 | 108.2 | S720 G724 R725 G726 | S720-F722 PolarHBondContact OG-O 2.85Å; F722-G724 PolarHBondContact O-N 3.44Å; F722-R725 PolarHBondContact O-N 3.22Å; F722-G726 PolarHBondContact O-N 2.63Å; F722-G726 VanDerWaalsContact O-N 3.09Å |
| 723 | A | 58.8 | Low | 82.8 | Confident | 100 Ų | 100 | 58.9 Ų | 58.9 | 83% | 0.826 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | 107 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R725 | A723-R725 PolarHBondContact O-N 2.83Š|
| 724 | G | 55.9 | Low | 82.7 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 1.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | F722 | F722-G724 PolarHBondContact O-N 3.44Š|
| 725 | R | 55.9 | Low | 82.6 | Confident | 239 Ų | 239 | 58.8 Ų | 58.8 | 90% | 0.902 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.3 | 11 | -173.7 | -70.1 | -171.1 | 177.2 | 166.4 | 0.2 | 115.8 | F722 A723 | F722-R725 PolarHBondContact O-N 3.22Å; A723-R725 PolarHBondContact O-N 2.83Å |
| 726 | G | 61.2 | Low | 82.6 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -120.5 | 156.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S720 F722 I728 | S720-G726 PolarHBondContact OG-O 2.74Å; F722-G726 PolarHBondContact O-N 2.63Å; F722-G726 VanDerWaalsContact O-N 3.09Å; G726-I728 PolarHBondContact O-N 3.18Å |
| 727 | K | 76 | Confident | 82.7 | Confident | 191 Ų | 191 | 57.1 Ų | 57.1 | 83% | 0.83 | 30% | 0.304 | S | S | * | . | trans | -43.9 | 122.7 | 175.8 | -177.1 | 172 | -178.8 | 174.9 | 0 | 110.5 | ||||
| 728 | I | 81.9 | Confident | 82.8 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 144 | 174.4 | -60.5 | 161.8 | 0 | 0 | 0 | 108.4 | C718 G726 | C718-I728 WeakPolarHBondContact SG-CG2 3.36Å; G726-I728 PolarHBondContact O-N 3.18Å |
| 729 | S | 88.4 | Confident | 82.9 | Confident | 48 Ų | 48 | 57 Ų | 57 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 144.2 | -174.5 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | R719 | R719-S729 WeakPolarHBondContact CA-O 3.29Å; R719-S729 PolarHBondContact N-O 2.99Å; R719-S729 PolarHBondContact O-N 2.93Å; R719-S729 VanDerWaalsContact O-O 3.12Å; R719-S729 PolarHBondContact O-OG 3.28Å |
| 730 | S | 91.5 | Very high | 83.3 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131 | -179.7 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | Y668 H717 | Y668-S730 WeakPolarHBondContact CE1-OG 3.34Å; Y668-S730 VanDerWaalsContact OH-CB 3.23Å; Y668-S730 WeakPolarHBondContact OH-CB 3.44Å; Y668-S730 PolarHBondContact OH-OG 3.5Å; H717-S730 WeakPolarHBondContact O-CA 3.04Å |
| 731 | V | 91.6 | Very high | 83.8 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.7 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | F658 Y716 H717 I733 | F658-V731 HydrophobicContact CD1-CB 4.44Å; F658-V731 HydrophobicContact CD1-CG1 4.01Å; F658-V731 HydrophobicContact CE1-CG1 3.88Å; Y716-V731 CarbonylContact C-O 3.16Å; Y716-V731 WeakPolarHBondContact CA-O 3.43Å; H717-V731 PolarHBondContact N-O 2.9Å; H717-V731 PolarHBondContact O-N 3.11Å; V731-I733 PolarHBondContact O-N 3.38Å |
| 732 | K | 93.6 | Very high | 84.9 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 132.1 | 177.4 | -166 | 179.5 | -70.5 | -173.2 | 0 | 109.4 | F658 I714 Y716 Q735 H759 | F658-K732 WeakPolarHBondContact CE1-O 3.23Å; I714-K732 HydrophobicContact CG2-CD 3.89Å; I714-K732 HydrophobicContact CG2-CG 3.83Å; Y716-K732 HydrophobicContact CD1-CB 4.31Å; Y716-K732 HydrophobicContact CE1-CB 4.28Å; K732-Q735 HydrophobicContact CD-CB 4.13Å; K732-H759 HydrophobicContact CD-CB 3.58Å; K732-H759 HydrophobicContact CG-CB 4.49Å |
| 733 | I | 95.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -48.1 | 174.6 | -64.8 | 176.1 | 0 | 0 | 0 | 109.4 | P656 F658 C665 I715 H717 V731 Y773 F777 | P656-I733 HydrophobicContact CB-CG2 4.39Å; P656-I733 HydrophobicContact CG-CD1 4.43Å; P656-I733 HydrophobicContact CG-CG2 3.84Å; F658-I733 HydrophobicContact CD1-CG1 4.11Å; F658-I733 HydrophobicContact CD2-CG1 4.08Å; F658-I733 HydrophobicContact CD2-CG2 4.44Å; F658-I733 HydrophobicContact CE1-CG1 4.17Å; F658-I733 HydrophobicContact CE2-CB 4.33Å; F658-I733 HydrophobicContact CE2-CG1 4.14Å; F658-I733 HydrophobicContact CE2-CG2 3.98Å; F658-I733 HydrophobicContact CG-CG1 4.07Å; F658-I733 HydrophobicContact CZ-CB 4.29Å; F658-I733 HydrophobicContact CZ-CG1 4.19Å; F658-I733 HydrophobicContact CZ-CG2 4.36Å; C665-I733 HydrophobicContact CB-CD1 4.37Å; I715-I733 HydrophobicContact CB-CB 4.3Å; I715-I733 HydrophobicContact CG2-CB 4.18Å; I715-I733 HydrophobicContact CG2-CD1 4.18Å; I715-I733 PolarHBondContact O-N 3.44Å; H717-I733 HydrophobicContact CB-CD1 3.97Å; H717-I733 HydrophobicContact CB-CG1 4.01Å; V731-I733 PolarHBondContact O-N 3.38Å; I733-Y773 HydrophobicContact CG2-CE1 4.19Å; I733-Y773 WeakPolarHBondContact O-CE1 3.48Å; I733-Y773 PolarHBondContact O-OH 3.04Å; I733-F777 HydrophobicContact CG2-CZ 4.31Å |
| 734 | A | 95.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 165.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | I715 L757 L760 | I715-A734 HydrophobicContact CD1-CB 4.37Å; I715-A734 PolarHBondContact N-O 2.88Å; A734-L757 HydrophobicContact CB-CB 4.43Å; A734-L757 HydrophobicContact CB-CD1 4.35Å; A734-L757 HydrophobicContact CB-CD2 4.32Å; A734-L760 HydrophobicContact CB-CD2 3.81Å |
| 735 | Q | 96.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.5 | 170.2 | 162.2 | -169.7 | -52.7 | 0 | 0 | 109 | H547 T712 V713 I714 K732 D758 H759 | H547-Q735 PolarHBondContact O-NE2 2.91Å; H547-Q735 VanDerWaalsContact O-NE2 3.09Å; T712-Q735 HydrophobicContact CG2-CG 3.99Å; V713-Q735 CarbonylContact O-C 3.54Å; V713-Q735 VanDerWaalsContact O-CA 3.27Å; V713-Q735 WeakPolarHBondContact O-CA 3.29Å; I714-Q735 HydrophobicContact CG1-CB 4.49Å; I714-Q735 HydrophobicContact CG1-CG 4.21Å; I714-Q735 HydrophobicContact CG2-CB 4.44Å; K732-Q735 HydrophobicContact CD-CB 4.13Å; Q735-D758 HydrophobicContact CB-CB 4.09Å; Q735-D758 HydrophobicContact CG-CB 4.21Å; Q735-D758 PolarHBondContact N-O 3.35Å; Q735-D758 PolarHBondContact NE2-OD2 3.28Å; Q735-D758 PolarHBondContact O-N 2.86Å; Q735-H759 PolarHBondContact OE1-CD2 3.15Å |
| 736 | F | 97.8 | Very high | 91 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 159.2 | 162.3 | 58.5 | -84.1 | 0 | 0 | 0 | 111.1 | L650 V713 L738 Y752 L757 V779 L781 | L650-F736 HydrophobicContact CD1-CE1 4.18Å; L650-F736 HydrophobicContact CD1-CZ 3.92Å; V713-F736 HydrophobicContact CB-CD1 4.18Å; V713-F736 HydrophobicContact CB-CD2 4.33Å; V713-F736 HydrophobicContact CB-CE1 3.71Å; V713-F736 HydrophobicContact CB-CE2 3.89Å; V713-F736 HydrophobicContact CB-CG 4.47Å; V713-F736 HydrophobicContact CB-CZ 3.56Å; V713-F736 HydrophobicContact CG1-CD1 4.47Å; V713-F736 HydrophobicContact CG1-CE1 3.67Å; V713-F736 HydrophobicContact CG1-CZ 3.71Å; V713-F736 HydrophobicContact CG2-CE1 4.42Å; V713-F736 HydrophobicContact CG2-CE2 3.81Å; V713-F736 HydrophobicContact CG2-CZ 3.76Å; V713-F736 PolarHBondContact N-O 3.42Å; V713-F736 PolarHBondContact O-N 3.01Å; F736-L738 HydrophobicContact CD2-CD2 4.14Å; F736-L738 HydrophobicContact CE2-CD2 4.03Å; F736-Y752 HydrophobicContact CB-CD1 4.13Å; F736-Y752 HydrophobicContact CB-CE1 4.25Å; F736-Y752 HydrophobicContact CD2-CD1 4.18Å; F736-Y752 AromaticContact CD2-CD2 4Å; F736-Y752 HydrophobicContact CD2-CD2 4Å; F736-Y752 AromaticContact CD2-CE1 3.8Å; F736-Y752 HydrophobicContact CD2-CE1 3.8Å; F736-Y752 AromaticContact CD2-CE2 3.6Å; F736-Y752 HydrophobicContact CD2-CE2 3.6Å; F736-Y752 HydrophobicContact CD2-CG 4.28Å; F736-Y752 AromaticContact CD2-CZ 3.49Å; F736-Y752 VanDerWaalsContact CD2-CZ 3.49Å; F736-Y752 AromaticContact CE2-CD2 3.94Å; F736-Y752 HydrophobicContact CE2-CD2 3.94Å; F736-Y752 HydrophobicContact CE2-CE1 4.49Å; F736-Y752 AromaticContact CE2-CE2 3.45Å; F736-Y752 HydrophobicContact CE2-CE2 3.45Å; F736-Y752 VanDerWaalsContact CE2-CE2 3.45Å; F736-Y752 AromaticContact CE2-CZ 3.77Å; F736-Y752 HydrophobicContact CG-CD1 4.19Å; F736-Y752 HydrophobicContact CG-CD2 4.3Å; F736-Y752 HydrophobicContact CG-CE1 4.23Å; F736-Y752 HydrophobicContact CG-CE2 4.34Å; F736-Y752 HydrophobicContact CG-CG 4.24Å; F736-Y752 HydrophobicContact CZ-CD2 4.21Å; F736-Y752 HydrophobicContact CZ-CE2 4.09Å; F736-L757 HydrophobicContact CB-CD2 4.19Å; F736-L757 HydrophobicContact CD1-CD2 3.78Å; F736-L757 HydrophobicContact CG-CD2 4.34Å; F736-V779 HydrophobicContact CE1-CG1 3.93Å; F736-L781 HydrophobicContact CE2-CD2 4.19Å; F736-L781 HydrophobicContact CZ-CB 4.41Å; F736-L781 HydrophobicContact CZ-CD2 4.45Å |
| 737 | Q | 98.1 | Very high | 92.5 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.8 | 172.8 | -62.3 | 172.2 | -111.3 | 0 | 0 | 111.3 | R548 A549 S621 R624 Y625 L711 T712 | R548-Q737 VanDerWaalsContact CA-OE1 3.22Å; R548-Q737 VanDerWaalsContact CB-OE1 3.25Å; A549-Q737 PolarHBondContact O-NE2 3.02Å; S621-Q737 PolarHBondContact OG-N 2.7Å; R624-Q737 WeakPolarHBondContact CD-O 3.16Å; R624-Q737 PolarHBondContact NH1-O 3.08Å; Y625-Q737 HydrophobicContact CE2-CB 3.92Å; L711-Q737 WeakPolarHBondContact O-CA 3.24Å; L711-Q737 WeakPolarHBondContact O-CB 3.07Å; L711-Q737 WeakPolarHBondContact O-CG 3.35Å; T712-Q737 HydrophobicContact CG2-CG 3.77Å |
| 738 | L | 97.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 166.9 | 172 | 63.8 | 150.1 | 0 | 0 | 0 | 109.4 | Y625 L645 L711 F736 V743 L750 | Y625-L738 PolarHBondContact OH-O 3.31Å; L645-L738 HydrophobicContact CD1-CD1 4.11Å; L711-L738 HydrophobicContact CB-CD2 4Å; L711-L738 HydrophobicContact CB-CG 4.21Å; L711-L738 HydrophobicContact CD1-CD1 4.27Å; L711-L738 HydrophobicContact CD1-CD2 4.08Å; L711-L738 HydrophobicContact CD1-CG 4.1Å; L711-L738 HydrophobicContact CG-CG 4.4Å; L711-L738 PolarHBondContact N-O 3.02Å; L711-L738 PolarHBondContact O-N 3.31Å; F736-L738 HydrophobicContact CD2-CD2 4.14Å; F736-L738 HydrophobicContact CE2-CD2 4.03Å; L738-V743 HydrophobicContact CD1-CG2 3.73Å; L738-L750 HydrophobicContact CD1-CD1 4.15Å |
| 739 | H | 97.5 | Very high | 94.1 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.1 | 163.4 | -176.9 | -83.9 | 0 | 0 | 0 | 107.7 | L552 Y628 G709 D710 G741 F742 W801 | L552-H739 HydrophobicContact CD2-CB 4.41Å; Y628-H739 HydrophobicContact CD2-CB 4.24Å; Y628-H739 HydrophobicContact CE2-CB 3.85Å; Y628-H739 PolarHBondContact OH-N 3.32Å; G709-H739 CarbonylContact O-C 3.58Å; G709-H739 WeakPolarHBondContact O-CA 3.43Å; D710-H739 IonicContact OD1-CD2 2.61Å; D710-H739 PolarHBondContact OD1-CD2 2.91Å; H739-G741 PolarHBondContact ND1-N 3.16Å; H739-G741 PolarHBondContact O-N 2.98Å; H739-G741 VanDerWaalsContact O-N 3.15Å; H739-F742 HydrophobicContact CB-CD2 3.96Å; H739-F742 HydrophobicContact CB-CE2 4.48Å; H739-F742 AromaticContact ND1-CD2 3.66Å; H739-F742 AromaticContact ND1-CE2 3.97Å; H739-F742 PolarHBondContact O-N 3.4Å; H739-W801 AromaticContact CE1-CH2 4Å; H739-W801 AromaticContact NE2-CH2 3.56Å |
| 740 | T | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -56.8 | -36.6 | -171.4 | 61.1 | 0 | 0 | 0 | 0 | 113 | H641 L645 G709 L711 F742 V743 | H641-T740 PolarHBondContact CE1-O 3.29Å; H641-T740 PolarHBondContact NE2-O 2.88Å; L645-T740 HydrophobicContact CD1-CG2 3.8Å; L645-T740 HydrophobicContact CG-CG2 3.8Å; G709-T740 PolarHBondContact N-OG1 3.32Å; G709-T740 PolarHBondContact O-N 3.26Å; L711-T740 HydrophobicContact CD1-CG2 3.68Å; L711-T740 HydrophobicContact CD2-CG2 4.25Å; L711-T740 HydrophobicContact CG-CG2 3.93Å; T740-F742 PolarHBondContact O-N 2.83Å; T740-V743 WeakPolarHBondContact O-CB 3.29Å; T740-V743 PolarHBondContact O-N 3.41Å; T740-V743 VanDerWaalsContact O-N 3.08Å |
| 741 | G | 94.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -64.9 | 0.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | P640 H641 H739 | P640-G741 VanDerWaalsContact CA-O 3.27Å; P640-G741 WeakPolarHBondContact CA-O 3.15Å; H641-G741 PolarHBondContact CD2-O 3.44Å; H641-G741 VanDerWaalsContact CD2-O 3.24Å; H641-G741 PolarHBondContact N-O 2.93Å; H641-G741 WeakPolarHBondContact NE2-CA 3.4Å; H641-G741 PolarHBondContact NE2-O 3.39Å; H641-G741 WeakPolarHBondContact O-CA 3.3Å; H739-G741 PolarHBondContact ND1-N 3.16Å; H739-G741 PolarHBondContact O-N 2.98Å; H739-G741 VanDerWaalsContact O-N 3.15Å |
| 742 | F | 95.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 33.2 Ų | 33.2 | 10% | 0.101 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -110.5 | 15.5 | 174.1 | -72.8 | -107.2 | 0 | 0 | 0 | 112.3 | L552 Y628 Q631 L632 F638 P640 H739 T740 | L552-F742 HydrophobicContact CD2-CD2 4.37Å; L552-F742 HydrophobicContact CD2-CE2 3.39Å; L552-F742 HydrophobicContact CD2-CZ 3.94Å; Y628-F742 HydrophobicContact CD1-CB 4.13Å; Y628-F742 AromaticContact CD1-CD1 3.22Å; Y628-F742 HydrophobicContact CD1-CD1 3.22Å; Y628-F742 HydrophobicContact CD1-CD2 4.2Å; Y628-F742 AromaticContact CD1-CE1 3.52Å; Y628-F742 HydrophobicContact CD1-CE1 3.52Å; Y628-F742 HydrophobicContact CD1-CE2 4.46Å; Y628-F742 AromaticContact CD1-CG 3.59Å; Y628-F742 HydrophobicContact CD1-CG 3.59Å; Y628-F742 HydrophobicContact CD1-CZ 4.14Å; Y628-F742 HydrophobicContact CD2-CD2 4.5Å; Y628-F742 HydrophobicContact CE1-CB 3.56Å; Y628-F742 AromaticContact CE1-CD1 3.59Å; Y628-F742 HydrophobicContact CE1-CD1 3.59Å; Y628-F742 HydrophobicContact CE1-CD2 4.32Å; Y628-F742 HydrophobicContact CE1-CE1 4.33Å; Y628-F742 AromaticContact CE1-CG 3.57Å; Y628-F742 HydrophobicContact CE1-CG 3.57Å; Y628-F742 AromaticContact CG-CD1 3.91Å; Y628-F742 HydrophobicContact CG-CD1 3.91Å; Y628-F742 HydrophobicContact CG-CD2 4.27Å; Y628-F742 AromaticContact CG-CE1 3.82Å; Y628-F742 HydrophobicContact CG-CE1 3.82Å; Y628-F742 HydrophobicContact CG-CE2 4.22Å; Y628-F742 HydrophobicContact CG-CG 4.12Å; Y628-F742 AromaticContact CG-CZ 3.98Å; Y628-F742 HydrophobicContact CG-CZ 3.98Å; Q631-F742 HydrophobicContact CB-CE1 4.32Å; Q631-F742 HydrophobicContact CG-CE1 4.3Å; L632-F742 HydrophobicContact CD1-CZ 3.97Å; L632-F742 HydrophobicContact CD2-CZ 4.18Å; L632-F742 HydrophobicContact CG-CZ 3.94Å; F638-F742 HydrophobicContact CD1-CE1 4.3Å; F638-F742 AromaticContact CE1-CD1 3.63Å; F638-F742 HydrophobicContact CE1-CD1 3.63Å; F638-F742 HydrophobicContact CE1-CD2 4.5Å; F638-F742 AromaticContact CE1-CE1 3.34Å; F638-F742 HydrophobicContact CE1-CE1 3.34Å; F638-F742 HydrophobicContact CE1-CE2 4.23Å; F638-F742 HydrophobicContact CE1-CG 4.23Å; F638-F742 AromaticContact CE1-CZ 3.68Å; F638-F742 HydrophobicContact CE1-CZ 3.68Å; F638-F742 AromaticContact CZ-CD1 3.57Å; F638-F742 HydrophobicContact CZ-CD1 3.57Å; F638-F742 HydrophobicContact CZ-CD2 4.42Å; F638-F742 AromaticContact CZ-CE1 3.82Å; F638-F742 HydrophobicContact CZ-CE1 3.82Å; F638-F742 AromaticContact CZ-CG 3.91Å; F638-F742 HydrophobicContact CZ-CG 3.91Å; F638-F742 HydrophobicContact CZ-CZ 4.33Å; P640-F742 HydrophobicContact CB-CD2 4.31Å; P640-F742 HydrophobicContact CB-CE2 3.93Å; P640-F742 HydrophobicContact CG-CD2 4.41Å; P640-F742 HydrophobicContact CG-CE2 3.6Å; P640-F742 HydrophobicContact CG-CZ 3.98Å; H739-F742 HydrophobicContact CB-CD2 3.96Å; H739-F742 HydrophobicContact CB-CE2 4.48Å; H739-F742 AromaticContact ND1-CD2 3.66Å; H739-F742 AromaticContact ND1-CE2 3.97Å; H739-F742 PolarHBondContact O-N 3.4Å; T740-F742 PolarHBondContact O-N 2.83Å |
| 743 | V | 95.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -108.6 | 111.1 | -178.5 | -178 | 0 | 0 | 0 | 0 | 109.1 | H641 L645 L738 T740 H745 L747 L750 F783 | H641-V743 PolarHBondContact NE2-O 2.76Å; L645-V743 HydrophobicContact CD1-CB 4.41Å; L645-V743 HydrophobicContact CD1-CG1 4.48Å; L645-V743 HydrophobicContact CD1-CG2 4.09Å; L645-V743 HydrophobicContact CD2-CB 4.45Å; L645-V743 HydrophobicContact CD2-CG1 4.38Å; L738-V743 HydrophobicContact CD1-CG2 3.73Å; T740-V743 WeakPolarHBondContact O-CB 3.29Å; T740-V743 PolarHBondContact O-N 3.41Å; T740-V743 VanDerWaalsContact O-N 3.08Å; V743-H745 PolarHBondContact O-N 3.39Å; V743-L747 HydrophobicContact CG1-CB 4.44Å; V743-L747 HydrophobicContact CG1-CD1 4.3Å; V743-L750 HydrophobicContact CG1-CD1 4Å; V743-L750 HydrophobicContact CG2-CD1 3.84Å; V743-F783 HydrophobicContact CG1-CE1 4.44Å; V743-F783 HydrophobicContact CG1-CE2 3.52Å; V743-F783 HydrophobicContact CG1-CZ 3.41Å; V743-F783 VanDerWaalsContact CG1-CZ 3.41Å |
| 744 | E | 90.5 | Very high | 95.1 | Very high | 86 Ų | 86 | 37.9 Ų | 37.9 | 40% | 0.402 | 19% | 0.188 | S | C | . | . | trans | -59.2 | 137.2 | -173.6 | -70.1 | 172 | -148.6 | 0 | 0 | 112.7 | N746 L747 Y841 | E744-N746 VanDerWaalsContact CB-OD1 3.23Å; E744-N746 WeakPolarHBondContact CB-OD1 3.33Å; E744-N746 PolarHBondContact O-N 3.39Å; E744-L747 HydrophobicContact CB-CD1 4.11Å; E744-L747 HydrophobicContact CB-CG 4.12Å; E744-L747 WeakPolarHBondContact O-CB 3.13Å; E744-L747 PolarHBondContact O-N 3.49Å; E744-Y841 WeakPolarHBondContact OE1-CE2 3.21Å; E744-Y841 PolarHBondContact OE1-OH 3.05Å | ||
| 745 | H | 87.1 | Confident | 94.8 | Very high | 113 Ų | 113 | 42.2 Ų | 42.2 | 52% | 0.523 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -17.8 | -172 | -53.5 | 90.9 | 0 | 0 | 0 | 115.2 | H641 F643 V743 | H641-H745 AromaticContact CD2-CE1 3.84Å; H641-H745 AromaticContact CD2-NE2 3.73Å; H641-H745 AromaticContact CG-NE2 3.53Å; H641-H745 AromaticContact ND1-NE2 3.99Å; F643-H745 AromaticContact CD2-CD2 3.51Å; F643-H745 AromaticContact CD2-NE2 3.16Å; F643-H745 WeakPolarHBondContact CD2-NE2 3.29Å; F643-H745 AromaticContact CE2-CD2 3.79Å; F643-H745 AromaticContact CE2-NE2 3.3Å; F643-H745 VanDerWaalsContact CE2-NE2 3.3Å; F643-H745 WeakPolarHBondContact CE2-NE2 3.37Å; V743-H745 PolarHBondContact O-N 3.39Å |
| 746 | N | 89.2 | Confident | 94.8 | Very high | 121 Ų | 121 | 43.7 Ų | 43.7 | 65% | 0.647 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -6.9 | 178.1 | 61.6 | -13.6 | 0 | 0 | 0 | 113.7 | E744 | E744-N746 VanDerWaalsContact CB-OD1 3.23Å; E744-N746 WeakPolarHBondContact CB-OD1 3.33Å; E744-N746 PolarHBondContact O-N 3.39Å |
| 747 | L | 93.4 | Very high | 94.7 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 18% | 0.183 | 23% | 0.229 | C | C | . | . | trans | -83.5 | 139.1 | 179.8 | -62.1 | 176.9 | 0 | 0 | 0 | 111.6 | V743 E744 L750 F783 Y841 | V743-L747 HydrophobicContact CG1-CB 4.44Å; V743-L747 HydrophobicContact CG1-CD1 4.3Å; E744-L747 HydrophobicContact CB-CD1 4.11Å; E744-L747 HydrophobicContact CB-CG 4.12Å; E744-L747 WeakPolarHBondContact O-CB 3.13Å; E744-L747 PolarHBondContact O-N 3.49Å; L747-L750 HydrophobicContact CD1-CD2 4.11Å; L747-F783 HydrophobicContact CB-CE2 4.27Å; L747-F783 HydrophobicContact CB-CZ 3.96Å; L747-F783 WeakPolarHBondContact O-CE2 3.23Å; L747-Y841 HydrophobicContact CD1-CE1 4.17Å; L747-Y841 HydrophobicContact CD2-CE1 4.34Å | ||
| 748 | T | 94.3 | Very high | 94.5 | Very high | 92 Ų | 92 | 44 Ų | 44 | 56% | 0.564 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -119.2 | -10.1 | 171.7 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | E782 F783 | T748-E782 WeakPolarHBondContact O-CA 3.1Å; T748-F783 WeakPolarHBondContact CA-O 3.24Å; T748-F783 PolarHBondContact O-N 3.44Å; T748-F783 VanDerWaalsContact O-O 3.13Å |
| 749 | E | 96.6 | Very high | 93.8 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147 | 174.4 | 64.1 | 172.3 | -179.2 | 0 | 0 | 111.5 | T780 L781 R843 | E749-T780 HydrophobicContact CB-CG2 3.85Å; E749-L781 CarbonylContact C-O 3.56Å; E749-L781 VanDerWaalsContact CA-O 3.32Å; E749-L781 WeakPolarHBondContact CA-O 3.24Å; E749-R843 IonicContact OE1-CZ 2.77Å; E749-R843 IonicContact OE1-NH1 3.44Å; E749-R843 PolarHBondContact OE1-NH1 2.91Å; E749-R843 IonicContact OE1-NH2 3.38Å; E749-R843 PolarHBondContact OE1-NH2 2.86Å |
| 750 | L | 97.9 | Very high | 93.2 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 19% | 0.194 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.7 | 166.3 | -79.3 | 169.4 | 0 | 0 | 0 | 108.9 | L738 V743 L747 Y752 T780 L781 F783 | L738-L750 HydrophobicContact CD1-CD1 4.15Å; V743-L750 HydrophobicContact CG1-CD1 4Å; V743-L750 HydrophobicContact CG2-CD1 3.84Å; L747-L750 HydrophobicContact CD1-CD2 4.11Å; L750-Y752 HydrophobicContact CB-CE2 3.85Å; L750-T780 CarbonylContact O-C 3.58Å; L750-T780 WeakPolarHBondContact O-CA 3.35Å; L750-L781 PolarHBondContact N-O 3.09Å; L750-L781 PolarHBondContact O-N 3.19Å; L750-F783 HydrophobicContact CB-CE1 4.04Å; L750-F783 HydrophobicContact CD1-CE1 3.87Å; L750-F783 HydrophobicContact CD1-CZ 4.07Å; L750-F783 HydrophobicContact CG-CE1 3.69Å; L750-F783 HydrophobicContact CG-CZ 3.9Å |
| 751 | I | 97.3 | Very high | 92 | Very high | 48 Ų | 48 | 50.2 Ų | 50.2 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.6 | -178.7 | -55.6 | 175.2 | 0 | 0 | 0 | 108.8 | F753 H778 T780 | I751-F753 HydrophobicContact CG2-CD1 4.5Å; I751-F753 HydrophobicContact CG2-CD2 4.45Å; I751-F753 HydrophobicContact CG2-CE1 4.09Å; I751-F753 HydrophobicContact CG2-CE2 4.04Å; I751-F753 HydrophobicContact CG2-CZ 3.84Å; I751-H778 HydrophobicContact CG2-CB 4.19Å; I751-T780 HydrophobicContact CG1-CG2 3.98Å |
| 752 | Y | 97.7 | Very high | 90.5 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 109.8 | 173.3 | -62.7 | -92.6 | 0 | 0 | 0 | 108.5 | F736 L750 D756 H778 V779 | F736-Y752 HydrophobicContact CB-CD1 4.13Å; F736-Y752 HydrophobicContact CB-CE1 4.25Å; F736-Y752 HydrophobicContact CD2-CD1 4.18Å; F736-Y752 AromaticContact CD2-CD2 4Å; F736-Y752 HydrophobicContact CD2-CD2 4Å; F736-Y752 AromaticContact CD2-CE1 3.8Å; F736-Y752 HydrophobicContact CD2-CE1 3.8Å; F736-Y752 AromaticContact CD2-CE2 3.6Å; F736-Y752 HydrophobicContact CD2-CE2 3.6Å; F736-Y752 HydrophobicContact CD2-CG 4.28Å; F736-Y752 AromaticContact CD2-CZ 3.49Å; F736-Y752 VanDerWaalsContact CD2-CZ 3.49Å; F736-Y752 AromaticContact CE2-CD2 3.94Å; F736-Y752 HydrophobicContact CE2-CD2 3.94Å; F736-Y752 HydrophobicContact CE2-CE1 4.49Å; F736-Y752 AromaticContact CE2-CE2 3.45Å; F736-Y752 HydrophobicContact CE2-CE2 3.45Å; F736-Y752 VanDerWaalsContact CE2-CE2 3.45Å; F736-Y752 AromaticContact CE2-CZ 3.77Å; F736-Y752 HydrophobicContact CG-CD1 4.19Å; F736-Y752 HydrophobicContact CG-CD2 4.3Å; F736-Y752 HydrophobicContact CG-CE1 4.23Å; F736-Y752 HydrophobicContact CG-CE2 4.34Å; F736-Y752 HydrophobicContact CG-CG 4.24Å; F736-Y752 HydrophobicContact CZ-CD2 4.21Å; F736-Y752 HydrophobicContact CZ-CE2 4.09Å; L750-Y752 HydrophobicContact CB-CE2 3.85Å; Y752-D756 HydrophobicContact CD1-CB 4.15Å; Y752-H778 CarbonylContact O-C 3.54Å; Y752-H778 VanDerWaalsContact O-CA 3.24Å; Y752-H778 WeakPolarHBondContact O-CA 3.47Å; Y752-H778 WeakPolarHBondContact O-CB 3.4Å; Y752-V779 PolarHBondContact N-O 3.15Å; Y752-V779 PolarHBondContact O-N 3.35Å |
| 753 | F | 95.8 | Very high | 88.5 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 170.8 | 173.8 | -62.6 | -81.1 | 0 | 0 | 0 | 110.8 | I751 S755 D756 L757 H778 | I751-F753 HydrophobicContact CG2-CD1 4.5Å; I751-F753 HydrophobicContact CG2-CD2 4.45Å; I751-F753 HydrophobicContact CG2-CE1 4.09Å; I751-F753 HydrophobicContact CG2-CE2 4.04Å; I751-F753 HydrophobicContact CG2-CZ 3.84Å; F753-S755 PolarHBondContact O-N 3.46Å; F753-D756 WeakPolarHBondContact CB-OD2 3.47Å; F753-D756 PolarHBondContact N-OD2 3.1Å; F753-D756 WeakPolarHBondContact O-CA 3.48Å; F753-D756 WeakPolarHBondContact O-CB 3.3Å; F753-D756 PolarHBondContact O-N 3.38Å; F753-L757 WeakPolarHBondContact O-CG 3.31Å; F753-H778 HydrophobicContact CD1-CB 4.07Å |
| 754 | K | 91.9 | Very high | 86.3 | Confident | 42 Ų | 42 | 60 Ų | 60 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -31 | 174.4 | -168.1 | 176.8 | 179.3 | 173.1 | 0 | 114.4 | L760 A774 E775 F777 | K754-L760 HydrophobicContact CG-CD1 3.69Å; K754-L760 WeakPolarHBondContact O-CD1 3.4Å; K754-A774 PolarHBondContact NZ-O 3.26Å; K754-E775 IonicContact NZ-OE1 3.58Å; K754-E775 IonicContact NZ-OE2 3.11Å; K754-E775 PolarHBondContact NZ-OE2 3.46Å; K754-F777 WeakPolarHBondContact CB-O 3.41Å; K754-F777 PolarHBondContact N-O 3.45Å |
| 755 | S | 91.2 | Very high | 84.2 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -22.1 | 175 | 50.5 | 0 | 0 | 0 | 0 | 114.7 | A620 F753 | A620-S755 WeakPolarHBondContact CB-O 3.22Å; F753-S755 PolarHBondContact O-N 3.46Å |
| 756 | D | 95.2 | Very high | 81.8 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -102.1 | 1.3 | -168.1 | -46.2 | -39.6 | 0 | 0 | 0 | 112.3 | A620 R624 Y752 F753 | A620-D756 WeakPolarHBondContact CB-O 3.39Å; R624-D756 PolarHBondContact NH2-O 2.85Å; Y752-D756 HydrophobicContact CD1-CB 4.15Å; F753-D756 WeakPolarHBondContact CB-OD2 3.47Å; F753-D756 PolarHBondContact N-OD2 3.1Å; F753-D756 WeakPolarHBondContact O-CA 3.48Å; F753-D756 WeakPolarHBondContact O-CB 3.3Å; F753-D756 PolarHBondContact O-N 3.38Å |
| 757 | L | 95.6 | Very high | 79.2 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | trans | -108.2 | 138.9 | -174.7 | -66.5 | 168.3 | 0 | 0 | 0 | 111.3 | A734 F736 F753 L760 F777 V779 | A734-L757 HydrophobicContact CB-CB 4.43Å; A734-L757 HydrophobicContact CB-CD1 4.35Å; A734-L757 HydrophobicContact CB-CD2 4.32Å; F736-L757 HydrophobicContact CB-CD2 4.19Å; F736-L757 HydrophobicContact CD1-CD2 3.78Å; F736-L757 HydrophobicContact CG-CD2 4.34Å; F753-L757 WeakPolarHBondContact O-CG 3.31Å; L757-L760 HydrophobicContact CB-CD1 4.39Å; L757-L760 HydrophobicContact CB-CD2 4.07Å; L757-L760 HydrophobicContact CB-CG 4.31Å; L757-F777 HydrophobicContact CD1-CD1 4.09Å; L757-F777 HydrophobicContact CD1-CE1 3.77Å; L757-V779 HydrophobicContact CD1-CG2 3.92Å; L757-V779 HydrophobicContact CD2-CB 4.31Å; L757-V779 HydrophobicContact CD2-CG2 4.15Å | ||
| 758 | D | 94 | Very high | 76.7 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -88.2 | 156.3 | 176.8 | -43.1 | -46.3 | 0 | 0 | 0 | 111.6 | N619 A620 S621 Q735 L760 | N619-D758 HydrophobicContact CB-CB 4.05Å; N619-D758 WeakPolarHBondContact CB-OD1 3.43Å; N619-D758 PolarHBondContact OD1-OD1 2.73Å; A620-D758 PolarHBondContact N-OD1 3.47Å; A620-D758 VanDerWaalsContact N-OD1 3.13Å; S621-D758 WeakPolarHBondContact CB-OD1 3.19Å; S621-D758 WeakPolarHBondContact CB-OD2 3.34Å; S621-D758 PolarHBondContact N-OD1 2.99Å; S621-D758 VanDerWaalsContact OG-CG 3.23Å; S621-D758 PolarHBondContact OG-OD1 3.4Å; S621-D758 PolarHBondContact OG-OD2 3.26Å; Q735-D758 HydrophobicContact CB-CB 4.09Å; Q735-D758 HydrophobicContact CG-CB 4.21Å; Q735-D758 PolarHBondContact N-O 3.35Å; Q735-D758 PolarHBondContact NE2-OD2 3.28Å; Q735-D758 PolarHBondContact O-N 2.86Å; D758-L760 VanDerWaalsContact C-N 3.31Å; D758-L760 PolarHBondContact O-N 2.77Å |
| 759 | H | 83.6 | Confident | 74.3 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 35% | 0.347 | 39% | 0.387 | S | S | . | . | trans | 58.6 | 33.5 | 169.2 | -58 | -67.6 | 0 | 0 | 0 | 115.7 | H547 K732 Q735 | H547-H759 PolarHBondContact O-NE2 2.88Å; K732-H759 HydrophobicContact CD-CB 3.58Å; K732-H759 HydrophobicContact CG-CB 4.49Å; Q735-H759 PolarHBondContact OE1-CD2 3.15Å | ||
| 760 | L | 84.5 | Confident | 72.4 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | trans | -67.2 | 134.1 | 169 | -57.3 | -174.3 | 0 | 0 | 0 | 110.8 | A734 K754 L757 D758 N762 Y773 F777 | A734-L760 HydrophobicContact CB-CD2 3.81Å; K754-L760 HydrophobicContact CG-CD1 3.69Å; K754-L760 WeakPolarHBondContact O-CD1 3.4Å; L757-L760 HydrophobicContact CB-CD1 4.39Å; L757-L760 HydrophobicContact CB-CD2 4.07Å; L757-L760 HydrophobicContact CB-CG 4.31Å; D758-L760 VanDerWaalsContact C-N 3.31Å; D758-L760 PolarHBondContact O-N 2.77Å; L760-N762 PolarHBondContact O-N 3.44Å; L760-Y773 WeakPolarHBondContact CA-OH 3.21Å; L760-Y773 HydrophobicContact CB-CE2 4.12Å; L760-Y773 HydrophobicContact CD2-CD1 4.48Å; L760-Y773 HydrophobicContact CD2-CE1 3.76Å; L760-F777 HydrophobicContact CD2-CE1 4.4Å | ||
| 761 | D | 71.9 | Confident | 71.2 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 21% | 0.214 | 41% | 0.411 | C | S | . | . | trans | -74.5 | 93.6 | 178.7 | 179.8 | 19.1 | 0 | 0 | 0 | 111.5 | F658 S763 R772 Y773 | F658-D761 HydrophobicContact CZ-CB 4.47Å; D761-S763 VanDerWaalsContact C-N 3.27Å; D761-S763 PolarHBondContact O-N 3.21Å; D761-S763 VanDerWaalsContact OD1-CB 3.28Å; D761-S763 WeakPolarHBondContact OD1-CB 3.37Å; D761-S763 PolarHBondContact OD1-N 2.88Å; D761-S763 VanDerWaalsContact OD1-N 3.1Å; D761-R772 IonicContact OD2-CZ 2.66Å; D761-R772 IonicContact OD2-NE 2.65Å; D761-R772 PolarHBondContact OD2-NE 3.39Å; D761-R772 IonicContact OD2-NH2 2.67Å; D761-R772 PolarHBondContact OD2-NH2 3.27Å; D761-Y773 HydrophobicContact CB-CE2 4.4Å; D761-Y773 PolarHBondContact N-OH 3.27Å | ||
| 762 | N | 62.6 | Low | 70.7 | Confident | 114 Ų | 114 | 70.8 Ų | 70.8 | 61% | 0.61 | 41% | 0.413 | S | S | * | . | trans | -82.4 | 9.1 | 179.4 | -69.3 | -28.7 | 0 | 0 | 0 | 114 | L760 S764 S765 | L760-N762 PolarHBondContact O-N 3.44Å; N762-S764 PolarHBondContact O-N 3.33Å; N762-S765 PolarHBondContact O-OG 2.99Å | ||
| 763 | S | 53.2 | Low | 70.3 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 5.5 | -174.5 | 101.2 | 0 | 0 | 0 | 0 | 115.5 | D761 | D761-S763 VanDerWaalsContact C-N 3.27Å; D761-S763 PolarHBondContact O-N 3.21Å; D761-S763 VanDerWaalsContact OD1-CB 3.28Å; D761-S763 WeakPolarHBondContact OD1-CB 3.37Å; D761-S763 PolarHBondContact OD1-N 2.88Å; D761-S763 VanDerWaalsContact OD1-N 3.1Å |
| 764 | S | 49.2 | Very low | 70 | Confident | 28 Ų | 28 | 67.6 Ų | 67.6 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10.1 | -179.7 | 57.5 | 0 | 0 | 0 | 0 | 114.5 | N762 F766 S771 | N762-S764 PolarHBondContact O-N 3.33Å; S764-F766 VanDerWaalsContact C-N 3.29Å; S764-F766 PolarHBondContact O-N 3.01Å; S764-S771 WeakPolarHBondContact OG-CA 3.42Å |
| 765 | S | 46.1 | Very low | 69.7 | Low | 112 Ų | 112 | 73.1 Ų | 73.1 | 78% | 0.783 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -77.9 | -3.9 | -172.3 | 54 | 0 | 0 | 0 | 0 | 115.4 | N762 | N762-S765 PolarHBondContact O-OG 2.99Š|
| 766 | F | 36.3 | Very low | 69.7 | Low | 179 Ų | 179 | 72.6 Ų | 72.6 | 79% | 0.785 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -120 | 128.6 | 176.2 | -147.3 | -99.9 | 0 | 0 | 0 | 111.1 | S764 | S764-F766 VanDerWaalsContact C-N 3.29Å; S764-F766 PolarHBondContact O-N 3.01Å |
| 767 | A | 35.4 | Very low | 69.7 | Low | 82 Ų | 82 | 71.2 Ų | 71.2 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 55.8 | 66.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | F769 | A767-F769 PolarHBondContact O-N 2.97Š|
| 768 | G | 39.7 | Very low | 69.7 | Low | 86 Ų | 86 | 73 Ų | 73 | 89% | 0.887 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 76.8 | 9.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 769 | F | 45.9 | Very low | 69.9 | Low | 132 Ų | 132 | 73 Ų | 73 | 58% | 0.579 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -90.2 | 134.5 | 174.2 | -72.4 | -62.2 | 0 | 0 | 0 | 112.5 | A767 | A767-F769 PolarHBondContact O-N 2.97Š|
| 770 | T | 56 | Low | 70.6 | Confident | 109 Ų | 109 | 69.9 Ų | 69.9 | 67% | 0.669 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 144.4 | 167.7 | 45.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 771 | S | 71.9 | Confident | 71.3 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 30% | 0.301 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 150.4 | 176.2 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | S764 Y773 | S764-S771 WeakPolarHBondContact OG-CA 3.42Å; S771-Y773 PolarHBondContact O-N 3.33Å |
| 772 | R | 86.9 | Confident | 72.5 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 28% | 0.283 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -72.6 | -7.6 | 176.5 | -56.2 | -151.1 | -151.7 | -161.3 | 16.5 | 114 | P656 T657 F658 D761 | P656-R772 CarbonylContact C-O 3.59Å; P656-R772 WeakPolarHBondContact CA-O 3.38Å; P656-R772 WeakPolarHBondContact CB-O 3.48Å; T657-R772 PolarHBondContact N-O 2.94Å; T657-R772 WeakPolarHBondContact OG1-CA 3.47Å; T657-R772 PolarHBondContact OG1-O 2.85Å; F658-R772 HydrophobicContact CD2-CB 4.2Å; F658-R772 HydrophobicContact CE2-CB 3.82Å; F658-R772 HydrophobicContact CE2-CG 4.47Å; F658-R772 HydrophobicContact CZ-CB 4.41Å; D761-R772 IonicContact OD2-CZ 2.66Å; D761-R772 IonicContact OD2-NE 2.65Å; D761-R772 PolarHBondContact OD2-NE 3.39Å; D761-R772 IonicContact OD2-NH2 2.67Å; D761-R772 PolarHBondContact OD2-NH2 3.27Å |
| 773 | Y | 90.4 | Very high | 74.1 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 4% | 0.043 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -129.5 | 143.2 | -173.4 | -46.4 | -92.7 | 0 | 0 | 0 | 109.5 | P656 F658 I733 L760 D761 S771 F777 | P656-Y773 HydrophobicContact CB-CD1 4.17Å; F658-Y773 AromaticContact CE2-CE1 3.82Å; F658-Y773 HydrophobicContact CE2-CE1 3.82Å; F658-Y773 HydrophobicContact CE2-CE2 4.46Å; F658-Y773 AromaticContact CE2-CZ 3.78Å; F658-Y773 HydrophobicContact CZ-CE1 4.23Å; F658-Y773 AromaticContact CZ-CZ 3.8Å; F658-Y773 WeakPolarHBondContact CZ-OH 3.32Å; I733-Y773 HydrophobicContact CG2-CE1 4.19Å; I733-Y773 WeakPolarHBondContact O-CE1 3.48Å; I733-Y773 PolarHBondContact O-OH 3.04Å; L760-Y773 WeakPolarHBondContact CA-OH 3.21Å; L760-Y773 HydrophobicContact CB-CE2 4.12Å; L760-Y773 HydrophobicContact CD2-CD1 4.48Å; L760-Y773 HydrophobicContact CD2-CE1 3.76Å; D761-Y773 HydrophobicContact CB-CE2 4.4Å; D761-Y773 PolarHBondContact N-OH 3.27Å; S771-Y773 PolarHBondContact O-N 3.33Å; Y773-F777 AromaticContact CD1-CD1 3.71Å; Y773-F777 HydrophobicContact CD1-CD1 3.71Å; Y773-F777 HydrophobicContact CD1-CD2 4.19Å; Y773-F777 AromaticContact CD1-CE1 3.64Å; Y773-F777 HydrophobicContact CD1-CE1 3.64Å; Y773-F777 HydrophobicContact CD1-CE2 4.12Å; Y773-F777 AromaticContact CD1-CG 3.99Å; Y773-F777 HydrophobicContact CD1-CG 3.99Å; Y773-F777 AromaticContact CD1-CZ 3.86Å; Y773-F777 HydrophobicContact CD1-CZ 3.86Å; Y773-F777 HydrophobicContact CE1-CD1 4.42Å; Y773-F777 AromaticContact CE1-CE1 3.96Å; Y773-F777 HydrophobicContact CE1-CE1 3.96Å; Y773-F777 HydrophobicContact CE1-CZ 4.15Å; Y773-F777 HydrophobicContact CG-CD1 4.45Å |
| 774 | A | 88.9 | Confident | 76 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | trans | -64.3 | 168 | 162 | 0 | 0 | 0 | 0 | 0 | 110.6 | P654 K754 F777 | P654-A774 HydrophobicContact CB-CB 4.41Å; P654-A774 HydrophobicContact CG-CB 3.79Å; K754-A774 PolarHBondContact NZ-O 3.26Å; A774-F777 VanDerWaalsContact O-CB 3.31Å; A774-F777 WeakPolarHBondContact O-CB 3.33Å | ||
| 775 | E | 84.7 | Confident | 78.1 | Confident | 157 Ų | 157 | 64 Ų | 64 | 73% | 0.734 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -33.2 | 171.5 | -156.7 | 56.5 | -148.4 | 0 | 0 | 111.7 | K754 F777 | K754-E775 IonicContact NZ-OE1 3.58Å; K754-E775 IonicContact NZ-OE2 3.11Å; K754-E775 PolarHBondContact NZ-OE2 3.46Å; E775-F777 PolarHBondContact O-N 3.14Å; E775-F777 VanDerWaalsContact O-N 3.16Å |
| 776 | S | 90.9 | Very high | 80.2 | Confident | 80 Ų | 80 | 59.3 Ų | 59.3 | 56% | 0.559 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 14.1 | 171.2 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | H778 | S776-H778 PolarHBondContact O-N 2.83Å; S776-H778 PolarHBondContact O-ND1 3.42Å |
| 777 | F | 95.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | trans | -65.3 | 125.1 | -179.8 | -177.5 | -102.6 | 0 | 0 | 0 | 111.2 | I652 A653 P654 P656 I733 K754 L757 L760 Y773 A774 E775 V779 | I652-F777 HydrophobicContact CG2-CE2 3.47Å; I652-F777 VanDerWaalsContact CG2-CE2 3.47Å; I652-F777 HydrophobicContact CG2-CZ 3.7Å; A653-F777 WeakPolarHBondContact O-CA 3.34Å; P654-F777 WeakPolarHBondContact O-CD2 3.32Å; P656-F777 HydrophobicContact CB-CD2 4.5Å; P656-F777 HydrophobicContact CB-CE2 3.86Å; P656-F777 HydrophobicContact CB-CZ 4.43Å; P656-F777 HydrophobicContact CG-CE2 3.9Å; P656-F777 HydrophobicContact CG-CZ 4.36Å; I733-F777 HydrophobicContact CG2-CZ 4.31Å; K754-F777 WeakPolarHBondContact CB-O 3.41Å; K754-F777 PolarHBondContact N-O 3.45Å; L757-F777 HydrophobicContact CD1-CD1 4.09Å; L757-F777 HydrophobicContact CD1-CE1 3.77Å; L760-F777 HydrophobicContact CD2-CE1 4.4Å; Y773-F777 AromaticContact CD1-CD1 3.71Å; Y773-F777 HydrophobicContact CD1-CD1 3.71Å; Y773-F777 HydrophobicContact CD1-CD2 4.19Å; Y773-F777 AromaticContact CD1-CE1 3.64Å; Y773-F777 HydrophobicContact CD1-CE1 3.64Å; Y773-F777 HydrophobicContact CD1-CE2 4.12Å; Y773-F777 AromaticContact CD1-CG 3.99Å; Y773-F777 HydrophobicContact CD1-CG 3.99Å; Y773-F777 AromaticContact CD1-CZ 3.86Å; Y773-F777 HydrophobicContact CD1-CZ 3.86Å; Y773-F777 HydrophobicContact CE1-CD1 4.42Å; Y773-F777 AromaticContact CE1-CE1 3.96Å; Y773-F777 HydrophobicContact CE1-CE1 3.96Å; Y773-F777 HydrophobicContact CE1-CZ 4.15Å; Y773-F777 HydrophobicContact CG-CD1 4.45Å; A774-F777 VanDerWaalsContact O-CB 3.31Å; A774-F777 WeakPolarHBondContact O-CB 3.33Å; E775-F777 PolarHBondContact O-N 3.14Å; E775-F777 VanDerWaalsContact O-N 3.16Å; F777-V779 HydrophobicContact CE1-CG2 4.49Å; F777-V779 HydrophobicContact CZ-CG2 4.44Å | ||
| 778 | H | 96.2 | Very high | 84.9 | Confident | 51 Ų | 51 | 57.5 Ų | 57.5 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 161.9 | 177.8 | 61.1 | -78.2 | 0 | 0 | 0 | 111.1 | A653 I751 Y752 F753 S776 | A653-H778 PolarHBondContact N-O 2.7Å; A653-H778 PolarHBondContact O-N 2.87Å; A653-H778 PolarHBondContact O-ND1 3.33Å; A653-H778 VanDerWaalsContact O-ND1 3.13Å; I751-H778 HydrophobicContact CG2-CB 4.19Å; Y752-H778 CarbonylContact O-C 3.54Å; Y752-H778 VanDerWaalsContact O-CA 3.24Å; Y752-H778 WeakPolarHBondContact O-CA 3.47Å; Y752-H778 WeakPolarHBondContact O-CB 3.4Å; F753-H778 HydrophobicContact CD1-CB 4.07Å; S776-H778 PolarHBondContact O-N 2.83Å; S776-H778 PolarHBondContact O-ND1 3.42Å |
| 779 | V | 98.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.5 | 173.6 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | L650 I651 I652 I715 F736 Y752 L757 F777 | L650-V779 HydrophobicContact CD1-CG1 3.57Å; L650-V779 HydrophobicContact CD2-CG1 4.14Å; L650-V779 HydrophobicContact CG-CG1 3.79Å; I651-V779 CarbonylContact O-C 3.32Å; I651-V779 VanDerWaalsContact O-CA 3.28Å; I651-V779 WeakPolarHBondContact O-CA 3.38Å; I652-V779 HydrophobicContact CG1-CG2 4.35Å; I652-V779 HydrophobicContact CG2-CG2 4.28Å; I715-V779 HydrophobicContact CD1-CG1 4.02Å; I715-V779 HydrophobicContact CD1-CG2 3.78Å; F736-V779 HydrophobicContact CE1-CG1 3.93Å; Y752-V779 PolarHBondContact N-O 3.15Å; Y752-V779 PolarHBondContact O-N 3.35Å; L757-V779 HydrophobicContact CD1-CG2 3.92Å; L757-V779 HydrophobicContact CD2-CB 4.31Å; L757-V779 HydrophobicContact CD2-CG2 4.15Å; F777-V779 HydrophobicContact CE1-CG2 4.49Å; F777-V779 HydrophobicContact CZ-CG2 4.44Å |
| 780 | T | 98.3 | Very high | 88.4 | Confident | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.7 | 173.9 | -51.8 | 0 | 0 | 0 | 0 | 109.4 | L650 I651 E749 L750 I751 | L650-T780 WeakPolarHBondContact CA-O 3.31Å; I651-T780 PolarHBondContact N-O 2.88Å; I651-T780 PolarHBondContact O-N 3.41Å; E749-T780 HydrophobicContact CB-CG2 3.85Å; L750-T780 CarbonylContact O-C 3.58Å; L750-T780 WeakPolarHBondContact O-CA 3.35Å; I751-T780 HydrophobicContact CG1-CG2 3.98Å |
| 781 | L | 98.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 115.4 | 169.5 | 179.9 | 65.5 | 0 | 0 | 0 | 108.5 | L647 L650 L702 F736 E749 L750 F783 | L647-L781 HydrophobicContact CD1-CD1 4.38Å; L647-L781 HydrophobicContact CD2-CD1 4.26Å; L647-L781 HydrophobicContact CD2-CD2 4.12Å; L647-L781 HydrophobicContact CD2-CG 4.37Å; L650-L781 HydrophobicContact CD1-CB 4.12Å; L650-L781 HydrophobicContact CD1-CD1 3.83Å; L702-L781 HydrophobicContact CD1-CD1 3.71Å; F736-L781 HydrophobicContact CE2-CD2 4.19Å; F736-L781 HydrophobicContact CZ-CB 4.41Å; F736-L781 HydrophobicContact CZ-CD2 4.45Å; E749-L781 CarbonylContact C-O 3.56Å; E749-L781 VanDerWaalsContact CA-O 3.32Å; E749-L781 WeakPolarHBondContact CA-O 3.24Å; L750-L781 PolarHBondContact N-O 3.09Å; L750-L781 PolarHBondContact O-N 3.19Å; L781-F783 HydrophobicContact CG-CD1 4.21Å; L781-F783 WeakPolarHBondContact O-CD1 3.16Å |
| 782 | E | 97.3 | Very high | 88.6 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.8 | 174.5 | -64 | 173.5 | 154.9 | 0 | 0 | 109.8 | I648 S649 I651 Q699 T748 | I648-E782 HydrophobicContact CB-CB 4.2Å; I648-E782 PolarHBondContact N-O 2.9Å; S649-E782 VanDerWaalsContact CB-OE2 3.29Å; S649-E782 WeakPolarHBondContact CB-OE2 3.46Å; S649-E782 PolarHBondContact N-O 3.29Å; S649-E782 PolarHBondContact O-N 3Å; S649-E782 PolarHBondContact OG-OE2 2.7Å; I651-E782 VanDerWaalsContact CD1-OE1 3.26Å; I651-E782 WeakPolarHBondContact CD1-OE1 3.43Å; Q699-E782 PolarHBondContact NE2-OE2 3.03Å; T748-E782 WeakPolarHBondContact O-CA 3.1Å |
| 783 | F | 96.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 173.1 | -177.6 | 57.8 | -88.4 | 0 | 0 | 0 | 112.2 | L645 N646 L647 V743 L747 T748 L750 L781 V785 | L645-F783 HydrophobicContact CD2-CD2 4.01Å; L645-F783 HydrophobicContact CD2-CE2 4.24Å; N646-F783 CarbonylContact O-C 3.54Å; N646-F783 WeakPolarHBondContact O-CA 3.3Å; N646-F783 WeakPolarHBondContact O-CB 3.33Å; L647-F783 HydrophobicContact CD2-CB 3.86Å; V743-F783 HydrophobicContact CG1-CE1 4.44Å; V743-F783 HydrophobicContact CG1-CE2 3.52Å; V743-F783 HydrophobicContact CG1-CZ 3.41Å; V743-F783 VanDerWaalsContact CG1-CZ 3.41Å; L747-F783 HydrophobicContact CB-CE2 4.27Å; L747-F783 HydrophobicContact CB-CZ 3.96Å; L747-F783 WeakPolarHBondContact O-CE2 3.23Å; T748-F783 WeakPolarHBondContact CA-O 3.24Å; T748-F783 PolarHBondContact O-N 3.44Å; T748-F783 VanDerWaalsContact O-O 3.13Å; L750-F783 HydrophobicContact CB-CE1 4.04Å; L750-F783 HydrophobicContact CD1-CE1 3.87Å; L750-F783 HydrophobicContact CD1-CZ 4.07Å; L750-F783 HydrophobicContact CG-CE1 3.69Å; L750-F783 HydrophobicContact CG-CZ 3.9Å; L781-F783 HydrophobicContact CG-CD1 4.21Å; L781-F783 WeakPolarHBondContact O-CD1 3.16Å; F783-V785 HydrophobicContact CD2-CG2 4.26Å; F783-V785 HydrophobicContact CE2-CG2 3.93Å |
| 784 | M | 92.7 | Very high | 85.5 | Confident | 103 Ų | 103 | 58.1 Ų | 58.1 | 51% | 0.507 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.4 | 159.6 | -68.9 | 174.2 | -61.4 | 0 | 0 | 109.1 | N646 I648 | N646-M784 PolarHBondContact N-O 3.18Å; N646-M784 PolarHBondContact O-N 3.01Å; I648-M784 HydrophobicContact CD1-CE 4.22Å; I648-M784 HydrophobicContact CD1-CG 3.99Å; I648-M784 HydrophobicContact CD1-SD 4.45Å |
| 785 | V | 93.5 | Very high | 83.9 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 13% | 0.127 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131.9 | 163.4 | -170.5 | 0 | 0 | 0 | 0 | 107.7 | F643 L645 F783 | F643-V785 HydrophobicContact CB-CG1 3.73Å; F643-V785 HydrophobicContact CG-CG1 4.47Å; L645-V785 HydrophobicContact CD2-CB 4.27Å; L645-V785 HydrophobicContact CD2-CG1 4.31Å; L645-V785 HydrophobicContact CD2-CG2 3.77Å; F783-V785 HydrophobicContact CD2-CG2 4.26Å; F783-V785 HydrophobicContact CE2-CG2 3.93Å |
| 786 | S | 91.2 | Very high | 82.5 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | trans | -60.4 | 136.1 | 176.2 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | F643 P644 T788 | F643-S786 WeakPolarHBondContact CD1-O 3.36Å; P644-S786 WeakPolarHBondContact O-CB 3.41Å; P644-S786 PolarHBondContact O-N 3.18Å; S786-T788 WeakPolarHBondContact CB-O 3.39Å; S786-T788 PolarHBondContact O-N 3.16Å; S786-T788 PolarHBondContact OG-N 3.49Å; S786-T788 PolarHBondContact OG-O 3.06Å; S786-T788 PolarHBondContact OG-OG1 2.9Å | ||
| 787 | P | 86.3 | Confident | 81.3 | Confident | 123 Ų | 123 | 60.1 Ų | 60.1 | 80% | 0.799 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -72.9 | -16.5 | 172.2 | 31.5 | -35.6 | 0 | 0 | 0 | 112.4 | ||
| 788 | T | 83.8 | Confident | 80.4 | Confident | 99 Ų | 99 | 63.9 Ų | 63.9 | 61% | 0.607 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -106.7 | 128.2 | 174.9 | 48.1 | 0 | 0 | 0 | 0 | 110.5 | F643 S786 | F643-T788 VanDerWaalsContact CD1-C 3.41Å; S786-T788 WeakPolarHBondContact CB-O 3.39Å; S786-T788 PolarHBondContact O-N 3.16Å; S786-T788 PolarHBondContact OG-N 3.49Å; S786-T788 PolarHBondContact OG-O 3.06Å; S786-T788 PolarHBondContact OG-OG1 2.9Å |
| 789 | E | 81.7 | Confident | 79.9 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 136.2 | 170.1 | -171.4 | 161.1 | -137 | 0 | 0 | 108.3 | H642 F643 P791 | H642-E789 WeakPolarHBondContact CA-OE1 3.32Å; H642-E789 HydrophobicContact CB-CG 3.8Å; H642-E789 VanDerWaalsContact CB-OE1 3.26Å; H642-E789 WeakPolarHBondContact CB-OE1 3.42Å; H642-E789 IonicContact CG-OE1 3.46Å; H642-E789 PolarHBondContact N-OE1 3.17Å; H642-E789 IonicContact ND1-OE1 2.74Å; H642-E789 PolarHBondContact ND1-OE1 3.34Å; H642-E789 VanDerWaalsContact ND1-OE1 3.11Å; F643-E789 HydrophobicContact CD1-CB 3.86Å; F643-E789 HydrophobicContact CE1-CB 3.71Å; F643-E789 VanDerWaalsContact CE1-N 3.28Å; F643-E789 HydrophobicContact CE2-CB 4.46Å; F643-E789 HydrophobicContact CG-CB 4.31Å; F643-E789 HydrophobicContact CZ-CB 4.01Å; E789-P791 WeakPolarHBondContact O-CD 3.31Å |
| 790 | R | 76.2 | Confident | 79.4 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 37% | 0.37 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 125.5 | 177.6 | -179.4 | 177.4 | -79.3 | 165.9 | -10 | 107.6 | H642 P644 L708 R792 | H642-R790 PolarHBondContact O-N 2.89Å; P644-R790 HydrophobicContact CG-CB 3.75Å; L708-R790 HydrophobicContact CD2-CB 4.33Å; R790-R792 PolarHBondContact O-N 2.84Å |
| 791 | P | 66.6 | Low | 79 | Confident | 105 Ų | 105 | 64.4 Ų | 64.4 | 68% | 0.682 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 135.8 | 175.7 | -27.3 | 35.3 | 0 | 0 | 0 | 110.8 | E789 | E789-P791 WeakPolarHBondContact O-CD 3.31Š|
| 792 | R | 66.4 | Low | 78.4 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 145 | -179.6 | -64.1 | -176.5 | -175.5 | -136.8 | -1.7 | 109.6 | R790 S794 L797 E802 | R790-R792 PolarHBondContact O-N 2.84Å; R792-S794 VanDerWaalsContact CB-O 3.3Å; R792-S794 WeakPolarHBondContact CB-O 3.19Å; R792-S794 PolarHBondContact O-N 2.89Å; R792-S794 VanDerWaalsContact O-N 3.11Å; R792-L797 PolarHBondContact NH1-O 2.97Å; R792-E802 IonicContact CZ-OE1 3.25Å; R792-E802 VanDerWaalsContact CZ-OE1 3.27Å; R792-E802 IonicContact CZ-OE2 2.78Å; R792-E802 VanDerWaalsContact NH1-CD 3.29Å; R792-E802 IonicContact NH1-OE1 2.85Å; R792-E802 PolarHBondContact NH1-OE1 3.39Å; R792-E802 IonicContact NH1-OE2 3.44Å; R792-E802 PolarHBondContact NH1-OE2 3.24Å; R792-E802 IonicContact NH2-OE1 2.71Å; R792-E802 PolarHBondContact NH2-OE1 2.7Å; R792-E802 IonicContact NH2-OE2 2.76Å |
| 793 | Q | 60.9 | Low | 77.8 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 38% | 0.379 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -64.4 | -16.3 | 177.2 | -73.6 | -179.9 | -34.5 | 0 | 0 | 112.3 | I275 P276 A277 L797 | I275-Q793 CarbonylContact C-O 3.59Å; I275-Q793 VanDerWaalsContact C-O 3.22Å; P276-Q793 CarbonylContact C-O 3.56Å; P276-Q793 WeakPolarHBondContact CA-O 3.4Å; A277-Q793 PolarHBondContact N-O 3.08Å; Q793-L797 HydrophobicContact CB-CD2 4.29Å |
| 794 | S | 50.1 | Low | 77.3 | Confident | 17 Ų | 17 | 71 Ų | 71 | 12% | 0.119 | 38% | 0.379 | C | S | . | . | trans | -154.8 | 160.8 | 149.7 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | S274 R792 N796 L797 | S274-S794 VanDerWaalsContact CB-OG 3.31Å; S274-S794 WeakPolarHBondContact CB-OG 3.4Å; R792-S794 VanDerWaalsContact CB-O 3.3Å; R792-S794 WeakPolarHBondContact CB-O 3.19Å; R792-S794 PolarHBondContact O-N 2.89Å; R792-S794 VanDerWaalsContact O-N 3.11Å; S794-N796 PolarHBondContact O-N 2.99Å; S794-L797 VanDerWaalsContact O-CB 3.27Å; S794-L797 WeakPolarHBondContact O-CB 3.43Å; S794-L797 PolarHBondContact O-N 3.48Å; S794-L797 PolarHBondContact OG-N 2.93Å | ||
| 795 | D | 55.8 | Low | 77 | Confident | 148 Ų | 148 | 67 Ų | 67 | 79% | 0.791 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.4 | 171.9 | -55.9 | -47.9 | 0 | 0 | 0 | 112 | L797 | D795-L797 VanDerWaalsContact C-N 3.33Š|
| 796 | N | 55.8 | Low | 76.5 | Confident | 147 Ų | 147 | 68.6 Ų | 68.6 | 79% | 0.786 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2.6 | 174 | -65.6 | -4 | 0 | 0 | 0 | 113.5 | S794 V798 | S794-N796 PolarHBondContact O-N 2.99Å; N796-V798 VanDerWaalsContact C-N 3.34Å; N796-V798 PolarHBondContact O-N 3.5Å |
| 797 | L | 66 | Low | 76.1 | Confident | 25 Ų | 25 | 71.6 Ų | 71.6 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | trans | -78.9 | 85.9 | 178.6 | -173.3 | 65 | 0 | 0 | 0 | 110.3 | R792 Q793 S794 D795 Y799 | R792-L797 PolarHBondContact NH1-O 2.97Å; Q793-L797 HydrophobicContact CB-CD2 4.29Å; S794-L797 VanDerWaalsContact O-CB 3.27Å; S794-L797 WeakPolarHBondContact O-CB 3.43Å; S794-L797 PolarHBondContact O-N 3.48Å; S794-L797 PolarHBondContact OG-N 2.93Å; D795-L797 VanDerWaalsContact C-N 3.33Å; L797-Y799 HydrophobicContact CD2-CE2 4.42Å; L797-Y799 HydrophobicContact CG-CE2 4.43Å | ||
| 798 | V | 77 | Confident | 75.9 | Confident | 81 Ų | 81 | 72.1 Ų | 72.1 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | trans | -87.8 | 125.7 | 173.8 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | N796 E802 T803 | N796-V798 VanDerWaalsContact C-N 3.34Å; N796-V798 PolarHBondContact O-N 3.5Å; V798-E802 WeakPolarHBondContact CA-OE2 3.21Å; V798-E802 HydrophobicContact CG1-CB 4.13Å; V798-T803 HydrophobicContact CG1-CG2 3.63Å | ||
| 799 | Y | 85.8 | Confident | 76.1 | Confident | 46 Ų | 46 | 71.8 Ų | 71.8 | 18% | 0.18 | 38% | 0.377 | C | S | . | . | trans | -83.9 | 148.4 | 174.7 | -68.4 | -95.9 | 0 | 0 | 0 | 110.8 | H642 L797 W801 E802 | H642-Y799 AromaticContact CD2-CE2 3.64Å; H642-Y799 AromaticContact CD2-CZ 3.74Å; H642-Y799 AromaticContact NE2-CD2 3.57Å; H642-Y799 AromaticContact NE2-CE2 3.31Å; H642-Y799 VanDerWaalsContact NE2-CE2 3.31Å; H642-Y799 WeakPolarHBondContact NE2-CE2 3.23Å; H642-Y799 AromaticContact NE2-CZ 3.74Å; L797-Y799 HydrophobicContact CD2-CE2 4.42Å; L797-Y799 HydrophobicContact CG-CE2 4.43Å; Y799-W801 AromaticContact CD1-CE2 3.98Å; Y799-W801 AromaticContact CD1-CH2 3.56Å; Y799-W801 HydrophobicContact CD1-CH2 3.56Å; Y799-W801 AromaticContact CD1-CZ2 3.29Å; Y799-W801 HydrophobicContact CD1-CZ2 3.29Å; Y799-W801 HydrophobicContact CD1-CZ3 4.39Å; Y799-W801 HydrophobicContact CD2-CZ2 4.49Å; Y799-W801 HydrophobicContact CE1-CH2 4.2Å; Y799-W801 AromaticContact CE1-CZ2 3.98Å; Y799-W801 HydrophobicContact CE1-CZ2 3.98Å; Y799-W801 AromaticContact CG-CE2 3.81Å; Y799-W801 HydrophobicContact CG-CH2 4.25Å; Y799-W801 AromaticContact CG-CZ2 3.59Å; Y799-W801 HydrophobicContact CG-CZ2 3.59Å; Y799-W801 PolarHBondContact O-N 2.88Å; Y799-E802 PolarHBondContact N-OE2 3.4Å; Y799-E802 WeakPolarHBondContact O-CB 3.46Å; Y799-E802 PolarHBondContact O-N 3.28Å | ||
| 800 | P | 87.1 | Confident | 76.5 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.3 | -175.7 | -27.1 | 35.9 | 0 | 0 | 0 | 115.4 | K553 I556 E557 L560 | K553-P800 HydrophobicContact CG-CG 3.85Å; I556-P800 HydrophobicContact CB-CB 4.12Å; I556-P800 HydrophobicContact CG2-CB 3.59Å; E557-P800 HydrophobicContact CG-CB 4.41Å; E557-P800 HydrophobicContact CG-CG 3.81Å; L560-P800 HydrophobicContact CD1-CB 4.04Å |
| 801 | W | 89.3 | Confident | 77.2 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 5% | 0.045 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9 | 176.2 | 51.2 | 75.3 | 0 | 0 | 0 | 114.5 | L552 K553 L632 P640 H739 Y799 L804 | L552-W801 HydrophobicContact CB-CZ3 4.14Å; L552-W801 HydrophobicContact CD2-CE3 4.12Å; L552-W801 HydrophobicContact CD2-CH2 4.31Å; L552-W801 HydrophobicContact CD2-CZ3 3.81Å; L552-W801 HydrophobicContact CG-CE3 4.14Å; L552-W801 HydrophobicContact CG-CZ3 3.78Å; K553-W801 HydrophobicContact CB-CZ3 4.39Å; L632-W801 HydrophobicContact CD1-CB 3.95Å; L632-W801 HydrophobicContact CD2-CB 4.13Å; P640-W801 HydrophobicContact CB-CZ2 4.4Å; P640-W801 HydrophobicContact CG-CD2 4.15Å; P640-W801 HydrophobicContact CG-CG 4.13Å; P640-W801 HydrophobicContact CG-CZ2 4.49Å; H739-W801 AromaticContact CE1-CH2 4Å; H739-W801 AromaticContact NE2-CH2 3.56Å; Y799-W801 AromaticContact CD1-CE2 3.98Å; Y799-W801 AromaticContact CD1-CH2 3.56Å; Y799-W801 HydrophobicContact CD1-CH2 3.56Å; Y799-W801 AromaticContact CD1-CZ2 3.29Å; Y799-W801 HydrophobicContact CD1-CZ2 3.29Å; Y799-W801 HydrophobicContact CD1-CZ3 4.39Å; Y799-W801 HydrophobicContact CD2-CZ2 4.49Å; Y799-W801 HydrophobicContact CE1-CH2 4.2Å; Y799-W801 AromaticContact CE1-CZ2 3.98Å; Y799-W801 HydrophobicContact CE1-CZ2 3.98Å; Y799-W801 AromaticContact CG-CE2 3.81Å; Y799-W801 HydrophobicContact CG-CH2 4.25Å; Y799-W801 AromaticContact CG-CZ2 3.59Å; Y799-W801 HydrophobicContact CG-CZ2 3.59Å; Y799-W801 PolarHBondContact O-N 2.88Å; W801-L804 HydrophobicContact CB-CD1 4.28Å; W801-L804 WeakPolarHBondContact O-CD1 3.42Å; W801-L804 VanDerWaalsContact O-CG 3.31Å; W801-L804 WeakPolarHBondContact O-CG 3.24Å |
| 802 | E | 85.7 | Confident | 78.5 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 34% | 0.336 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -25.2 | 178.6 | -55.6 | -177 | 125.2 | 0 | 0 | 111.5 | R792 V798 Y799 | R792-E802 IonicContact CZ-OE1 3.25Å; R792-E802 VanDerWaalsContact CZ-OE1 3.27Å; R792-E802 IonicContact CZ-OE2 2.78Å; R792-E802 VanDerWaalsContact NH1-CD 3.29Å; R792-E802 IonicContact NH1-OE1 2.85Å; R792-E802 PolarHBondContact NH1-OE1 3.39Å; R792-E802 IonicContact NH1-OE2 3.44Å; R792-E802 PolarHBondContact NH1-OE2 3.24Å; R792-E802 IonicContact NH2-OE1 2.71Å; R792-E802 PolarHBondContact NH2-OE1 2.7Å; R792-E802 IonicContact NH2-OE2 2.76Å; V798-E802 WeakPolarHBondContact CA-OE2 3.21Å; V798-E802 HydrophobicContact CG1-CB 4.13Å; Y799-E802 PolarHBondContact N-OE2 3.4Å; Y799-E802 WeakPolarHBondContact O-CB 3.46Å; Y799-E802 PolarHBondContact O-N 3.28Å |
| 803 | T | 84.4 | Confident | 79.7 | Confident | 93 Ų | 93 | 64 Ų | 64 | 57% | 0.571 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -102.6 | 33.4 | 177.1 | 50 | 0 | 0 | 0 | 0 | 112.7 | V798 | V798-T803 HydrophobicContact CG1-CG2 3.63Š|
| 804 | L | 87.5 | Confident | 81.3 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 128.7 | -177 | -71.6 | 174.4 | 0 | 0 | 0 | 112.1 | I556 F595 L632 R636 W801 | I556-L804 HydrophobicContact CG2-CD2 4.28Å; F595-L804 HydrophobicContact CE2-CD2 3.54Å; F595-L804 HydrophobicContact CZ-CD2 3.64Å; L632-L804 HydrophobicContact CB-CD1 4.19Å; R636-L804 PolarHBondContact NH1-O 3.03Å; W801-L804 HydrophobicContact CB-CD1 4.28Å; W801-L804 WeakPolarHBondContact O-CD1 3.42Å; W801-L804 VanDerWaalsContact O-CG 3.31Å; W801-L804 WeakPolarHBondContact O-CG 3.24Å |
| 805 | P | 85.2 | Confident | 83.5 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 153.6 | 177.8 | -24.9 | 30.4 | 0 | 0 | 0 | 112.9 | L560 R636 L809 L810 | L560-P805 HydrophobicContact CD2-CG 3.97Å; R636-P805 PolarHBondContact NH2-O 2.98Å; P805-L809 HydrophobicContact CB-CB 3.63Å; P805-L809 HydrophobicContact CB-CD1 4.15Å; P805-L810 HydrophobicContact CB-CD2 4.15Å; P805-L810 HydrophobicContact CB-CG 4.42Å; P805-L810 HydrophobicContact CG-CD2 4.15Å |
| 806 | S | 84.1 | Confident | 85.4 | Confident | 54 Ų | 54 | 54 Ų | 54 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 161.3 | 175.6 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | D808 L809 L810 | S806-D808 PolarHBondContact O-N 2.76Å; S806-D808 VanDerWaalsContact O-N 3.16Å; S806-L809 WeakPolarHBondContact O-CB 3.44Å; S806-L809 PolarHBondContact O-N 3.3Å; S806-L809 WeakPolarHBondContact OG-CD1 3.35Å; S806-L809 WeakPolarHBondContact OG-CG 3.42Å; S806-L810 PolarHBondContact O-N 2.89Å |
| 807 | N | 83.1 | Confident | 87.1 | Confident | 77 Ų | 77 | 50.3 Ų | 50.3 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -56.7 | -37.7 | -173 | -72.4 | -8.3 | 0 | 0 | 0 | 112.3 | R597 R636 L809 L810 | R597-N807 PolarHBondContact NH1-OD1 3.22Å; R636-N807 PolarHBondContact NE-OD1 3.42Å; R636-N807 VanDerWaalsContact NH2-N 3.15Å; R636-N807 PolarHBondContact NH2-OD1 3.3Å; N807-L809 VanDerWaalsContact C-N 3.28Å; N807-L809 PolarHBondContact O-N 3.09Å; N807-L810 PolarHBondContact O-N 3.21Å |
| 808 | D | 82.3 | Confident | 88.3 | Confident | 134 Ų | 134 | 51.6 Ų | 51.6 | 72% | 0.717 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -69.5 | -27.5 | -179.5 | -40.4 | -76.2 | 0 | 0 | 0 | 112.3 | S806 L810 S811 | S806-D808 PolarHBondContact O-N 2.76Å; S806-D808 VanDerWaalsContact O-N 3.16Å; D808-L810 VanDerWaalsContact C-N 3.34Å; D808-S811 WeakPolarHBondContact O-CB 3.37Å |
| 809 | L | 87.7 | Confident | 88.9 | Confident | 92 Ų | 92 | 52.7 Ų | 52.7 | 48% | 0.482 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -82.6 | -9.9 | 175.9 | -65.8 | 177 | 0 | 0 | 0 | 113.3 | R563 P805 S806 N807 S811 | R563-L809 WeakPolarHBondContact CD-O 3.19Å; R563-L809 PolarHBondContact NH1-O 2.8Å; P805-L809 HydrophobicContact CB-CB 3.63Å; P805-L809 HydrophobicContact CB-CD1 4.15Å; S806-L809 WeakPolarHBondContact O-CB 3.44Å; S806-L809 PolarHBondContact O-N 3.3Å; S806-L809 WeakPolarHBondContact OG-CD1 3.35Å; S806-L809 WeakPolarHBondContact OG-CG 3.42Å; N807-L809 VanDerWaalsContact C-N 3.28Å; N807-L809 PolarHBondContact O-N 3.09Å; L809-S811 VanDerWaalsContact C-N 3.35Å |
| 810 | L | 89.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -99.2 | 36.6 | 171.5 | -60.3 | 179.7 | 0 | 0 | 0 | 111.2 | F595 C596 R597 P805 S806 N807 D808 | F595-L810 HydrophobicContact CD1-CD2 4.25Å; F595-L810 HydrophobicContact CE1-CD2 3.89Å; F595-L810 HydrophobicContact CZ-CD2 4.13Å; C596-L810 CarbonylContact C-O 3.53Å; C596-L810 VanDerWaalsContact C-O 3.29Å; R597-L810 HydrophobicContact CG-CB 4.21Å; P805-L810 HydrophobicContact CB-CD2 4.15Å; P805-L810 HydrophobicContact CB-CG 4.42Å; P805-L810 HydrophobicContact CG-CD2 4.15Å; S806-L810 PolarHBondContact O-N 2.89Å; N807-L810 PolarHBondContact O-N 3.21Å; D808-L810 VanDerWaalsContact C-N 3.34Å |
| 811 | S | 90.4 | Very high | 89.5 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | trans | -73 | 136.5 | -170.9 | -166 | 0 | 0 | 0 | 0 | 113.8 | C596 D808 L809 K813 L814 | C596-S811 CarbonylContact O-C 3.57Å; D808-S811 WeakPolarHBondContact O-CB 3.37Å; L809-S811 VanDerWaalsContact C-N 3.35Å; S811-K813 PolarHBondContact O-N 3.32Å; S811-L814 WeakPolarHBondContact O-CB 3.15Å; S811-L814 WeakPolarHBondContact O-CG 3.11Å; S811-L814 PolarHBondContact O-N 2.79Å | ||
| 812 | P | 93.4 | Very high | 89.7 | Confident | 34 Ų | 34 | 53.8 Ų | 53.8 | 22% | 0.221 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -56.6 | -25 | 171.9 | -27.9 | 35.9 | 0 | 0 | 0 | 114 | C596 R597 V598 L814 C815 L822 | C596-P812 WeakPolarHBondContact O-CA 3.34Å; C596-P812 WeakPolarHBondContact O-CD 3.37Å; C596-P812 WeakPolarHBondContact O-CG 3.46Å; R597-P812 HydrophobicContact CB-CG 4.42Å; R597-P812 WeakPolarHBondContact O-CG 3.3Å; V598-P812 HydrophobicContact CG2-CB 4.02Å; P812-L814 PolarHBondContact O-N 2.59Å; P812-C815 PolarHBondContact O-N 2.79Å; P812-L822 HydrophobicContact CB-CD1 3.85Å; P812-L822 HydrophobicContact CB-CD2 3.82Å |
| 813 | K | 92.7 | Very high | 90 | Very high | 139 Ų | 139 | 55 Ų | 55 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -63.3 | -17.5 | 176.9 | -62.5 | 180 | -178.5 | 177.4 | 0 | 113.4 | S811 C815 | S811-K813 PolarHBondContact O-N 3.32Å; K813-C815 VanDerWaalsContact C-N 3.3Å |
| 814 | L | 93.9 | Very high | 90.4 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -70.8 | -27.6 | 176.5 | -64.7 | 176 | 0 | 0 | 0 | 112.3 | R483 R563 L566 A567 S811 P812 | R483-L814 PolarHBondContact NH1-O 3.03Å; R563-L814 HydrophobicContact CG-CD1 3.56Å; L566-L814 HydrophobicContact CB-CB 4.37Å; A567-L814 HydrophobicContact CB-CD2 4.06Å; S811-L814 WeakPolarHBondContact O-CB 3.15Å; S811-L814 WeakPolarHBondContact O-CG 3.11Å; S811-L814 PolarHBondContact O-N 2.79Å; P812-L814 PolarHBondContact O-N 2.59Å |
| 815 | C | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -88.3 | -1.9 | -176.4 | -63.1 | 0 | 0 | 0 | 0 | 114.2 | T481 I484 L593 C596 V598 P812 K813 | T481-C815 WeakPolarHBondContact CB-O 3.28Å; T481-C815 PolarHBondContact OG1-O 3.13Å; I484-C815 HydrophobicContact CD1-CB 4.01Å; L593-C815 HydrophobicContact CD2-CB 4.06Å; C596-C815 WeakPolarHBondContact CB-SG 3.1Å; V598-C815 HydrophobicContact CG2-CB 4Å; P812-C815 PolarHBondContact O-N 2.79Å; K813-C815 VanDerWaalsContact C-N 3.3Å |
| 816 | V | 95.6 | Very high | 91 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | trans | -139 | 153.8 | -175.4 | -68 | 0 | 0 | 0 | 0 | 111.5 | R483 N818 E821 L822 I825 | R483-V816 WeakPolarHBondContact CD-O 3.11Å; V816-N818 WeakPolarHBondContact CG2-O 3.25Å; V816-E821 HydrophobicContact CB-CB 4.49Å; V816-E821 HydrophobicContact CB-CG 4.4Å; V816-E821 HydrophobicContact CG1-CB 4.4Å; V816-E821 HydrophobicContact CG1-CG 3.92Å; V816-L822 HydrophobicContact CG1-CB 4.44Å; V816-L822 HydrophobicContact CG2-CB 3.99Å; V816-I825 HydrophobicContact CG1-CD1 4.09Å | ||
| 817 | S | 92.3 | Very high | 91.3 | Very high | 70 Ų | 70 | 54 Ų | 54 | 49% | 0.49 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -87.9 | -17.4 | 178.4 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | S482 R483 E821 | S482-S817 WeakPolarHBondContact OG-CB 3.35Å; S482-S817 PolarHBondContact OG-N 3.17Å; S482-S817 PolarHBondContact OG-OG 2.89Å; R483-S817 VanDerWaalsContact CG-OG 3.23Å; R483-S817 WeakPolarHBondContact CG-OG 3.47Å; S817-E821 PolarHBondContact N-OE2 2.97Å |
| 818 | N | 90.1 | Very high | 91.6 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -147 | 163.6 | 176.2 | 71.1 | 74.1 | 0 | 0 | 0 | 112.6 | V816 D820 E821 | V816-N818 WeakPolarHBondContact CG2-O 3.25Å; N818-D820 PolarHBondContact OD1-N 3.12Å; N818-E821 PolarHBondContact OD1-N 3.29Å |
| 819 | H | 89.9 | Confident | 91.9 | Very high | 105 Ų | 105 | 50.6 Ų | 50.6 | 49% | 0.486 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -75.8 | -24.8 | -175.3 | -173.9 | 26 | 0 | 0 | 0 | 113.7 | L822 K823 | H819-L822 PolarHBondContact O-N 3.41Å; H819-K823 VanDerWaalsContact NE2-CE 3.32Å; H819-K823 WeakPolarHBondContact NE2-CE 3.2Å; H819-K823 WeakPolarHBondContact O-CG 3.37Å; H819-K823 PolarHBondContact O-N 2.88Å; H819-K823 VanDerWaalsContact O-N 3.14Å |
| 820 | D | 91.9 | Very high | 91 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -73.7 | -37.6 | 179.6 | -82.6 | -43.1 | 0 | 0 | 0 | 112.4 | R457 N818 L822 K823 D824 | R457-D820 IonicContact CZ-OD1 2.82Å; R457-D820 IonicContact NE-OD1 3.18Å; R457-D820 IonicContact NE-OD2 3.14Å; R457-D820 VanDerWaalsContact NH2-CB 3.34Å; R457-D820 VanDerWaalsContact NH2-CG 3.31Å; R457-D820 IonicContact NH2-OD1 2.66Å; R457-D820 PolarHBondContact NH2-OD1 3.25Å; N818-D820 PolarHBondContact OD1-N 3.12Å; D820-L822 VanDerWaalsContact C-N 3.31Å; D820-L822 PolarHBondContact O-N 3.04Å; D820-K823 WeakPolarHBondContact O-CB 3.45Å; D820-K823 PolarHBondContact O-N 3.38Å; D820-K823 VanDerWaalsContact O-N 3.16Å; D820-K823 IonicContact OD1-NZ 3.87Å; D820-K823 PolarHBondContact OD1-NZ 3.28Å; D820-D824 VanDerWaalsContact O-CG 3.3Å; D820-D824 PolarHBondContact O-N 2.86Å |
| 821 | E | 95 | Very high | 89.6 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.6 | -45.1 | 169.8 | -177.8 | -174.2 | -178.8 | 0 | 0 | 111.6 | I464 S482 V816 S817 N818 K823 D824 I825 | I464-E821 HydrophobicContact CD1-CG 4.5Å; S482-E821 WeakPolarHBondContact CB-OE1 3.38Å; S482-E821 VanDerWaalsContact CB-OE2 3.29Å; S482-E821 WeakPolarHBondContact CB-OE2 3.42Å; S482-E821 PolarHBondContact N-OE1 2.87Å; S482-E821 VanDerWaalsContact OG-CD 3.23Å; S482-E821 PolarHBondContact OG-OE1 3.49Å; S482-E821 PolarHBondContact OG-OE2 3.37Å; V816-E821 HydrophobicContact CB-CB 4.49Å; V816-E821 HydrophobicContact CB-CG 4.4Å; V816-E821 HydrophobicContact CG1-CB 4.4Å; V816-E821 HydrophobicContact CG1-CG 3.92Å; S817-E821 PolarHBondContact N-OE2 2.97Å; N818-E821 PolarHBondContact OD1-N 3.29Å; E821-K823 PolarHBondContact O-N 3.08Å; E821-D824 PolarHBondContact O-N 3.08Å; E821-I825 HydrophobicContact CG-CD1 3.93Å; E821-I825 VanDerWaalsContact O-CG1 3.32Å; E821-I825 WeakPolarHBondContact O-CG1 3.33Å; E821-I825 PolarHBondContact O-N 3.24Å |
| 822 | L | 93.5 | Very high | 87.9 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.3 | 178.7 | 64 | 0 | 0 | 0 | 112.2 | V598 P812 V816 H819 D820 D824 L826 | V598-L822 HydrophobicContact CG1-CD1 4.18Å; P812-L822 HydrophobicContact CB-CD1 3.85Å; P812-L822 HydrophobicContact CB-CD2 3.82Å; V816-L822 HydrophobicContact CG1-CB 4.44Å; V816-L822 HydrophobicContact CG2-CB 3.99Å; H819-L822 PolarHBondContact O-N 3.41Å; D820-L822 VanDerWaalsContact C-N 3.31Å; D820-L822 PolarHBondContact O-N 3.04Å; L822-D824 VanDerWaalsContact C-N 3.27Å; L822-D824 PolarHBondContact O-N 3.17Å; L822-L826 HydrophobicContact CD1-CD1 3.9Å; L822-L826 HydrophobicContact CD1-CG 4.12Å; L822-L826 HydrophobicContact CG-CD1 3.92Å; L822-L826 HydrophobicContact CG-CG 4.48Å; L822-L826 WeakPolarHBondContact O-CB 3.43Å; L822-L826 VanDerWaalsContact O-CG 3.23Å; L822-L826 WeakPolarHBondContact O-CG 3.49Å; L822-L826 PolarHBondContact O-N 2.99Å |
| 823 | K | 91.5 | Very high | 85.7 | Confident | 99 Ų | 99 | 59.6 Ų | 59.6 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 175.4 | -71.3 | 173.2 | -169.3 | 163.9 | 0 | 111.7 | H819 D820 E821 L826 S827 | H819-K823 VanDerWaalsContact NE2-CE 3.32Å; H819-K823 WeakPolarHBondContact NE2-CE 3.2Å; H819-K823 WeakPolarHBondContact O-CG 3.37Å; H819-K823 PolarHBondContact O-N 2.88Å; H819-K823 VanDerWaalsContact O-N 3.14Å; D820-K823 WeakPolarHBondContact O-CB 3.45Å; D820-K823 PolarHBondContact O-N 3.38Å; D820-K823 VanDerWaalsContact O-N 3.16Å; D820-K823 IonicContact OD1-NZ 3.87Å; D820-K823 PolarHBondContact OD1-NZ 3.28Å; E821-K823 PolarHBondContact O-N 3.08Å; K823-L826 PolarHBondContact O-N 3.35Å; K823-S827 VanDerWaalsContact O-CB 3.27Å; K823-S827 WeakPolarHBondContact O-CB 3.33Å; K823-S827 PolarHBondContact O-N 2.99Å |
| 824 | D | 91.9 | Very high | 83.1 | Confident | 41 Ų | 41 | 64.1 Ų | 64.1 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -76 | -41.1 | -177.3 | -68.1 | 7.4 | 0 | 0 | 0 | 110.8 | R457 D820 E821 L822 L826 S827 D828 | R457-D824 IonicContact CZ-OD1 2.7Å; R457-D824 VanDerWaalsContact CZ-OD1 3.26Å; R457-D824 IonicContact CZ-OD2 3.47Å; R457-D824 IonicContact NH1-OD1 3.74Å; R457-D824 PolarHBondContact NH1-OD1 3.35Å; R457-D824 IonicContact NH1-OD2 2.89Å; R457-D824 PolarHBondContact NH1-OD2 3.29Å; R457-D824 IonicContact NH2-OD1 3.05Å; R457-D824 PolarHBondContact NH2-OD1 3.27Å; R457-D824 IonicContact NH2-OD2 3.96Å; D820-D824 VanDerWaalsContact O-CG 3.3Å; D820-D824 PolarHBondContact O-N 2.86Å; E821-D824 PolarHBondContact O-N 3.08Å; L822-D824 VanDerWaalsContact C-N 3.27Å; L822-D824 PolarHBondContact O-N 3.17Å; D824-L826 VanDerWaalsContact C-N 3.32Å; D824-L826 PolarHBondContact O-N 2.93Å; D824-S827 WeakPolarHBondContact O-CB 3.32Å; D824-S827 PolarHBondContact O-N 3.45Å; D824-D828 WeakPolarHBondContact O-CB 3.43Å; D824-D828 VanDerWaalsContact O-CG 3.25Å; D824-D828 PolarHBondContact O-N 3.02Å |
| 825 | I | 94.1 | Very high | 80.3 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 169.5 | -69.2 | 168.4 | 0 | 0 | 0 | 111.2 | T481 V598 F599 L608 V816 E821 Y829 | T481-I825 HydrophobicContact CG2-CD1 3.9Å; V598-I825 HydrophobicContact CG1-CG2 4.25Å; F599-I825 HydrophobicContact CE1-CG2 4.26Å; F599-I825 HydrophobicContact CE2-CG2 4.31Å; F599-I825 HydrophobicContact CZ-CG2 3.56Å; L608-I825 HydrophobicContact CD1-CG1 4.45Å; L608-I825 HydrophobicContact CD2-CD1 4.41Å; L608-I825 HydrophobicContact CD2-CG2 3.92Å; V816-I825 HydrophobicContact CG1-CD1 4.09Å; E821-I825 HydrophobicContact CG-CD1 3.93Å; E821-I825 VanDerWaalsContact O-CG1 3.32Å; E821-I825 WeakPolarHBondContact O-CG1 3.33Å; E821-I825 PolarHBondContact O-N 3.24Å; I825-Y829 HydrophobicContact CG2-CD2 4.44Å; I825-Y829 WeakPolarHBondContact O-CD2 3.41Å; I825-Y829 PolarHBondContact O-N 2.8Å |
| 826 | L | 92.6 | Very high | 77.2 | Confident | 70 Ų | 70 | 75.5 Ų | 75.5 | 37% | 0.366 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.2 | -28.2 | 178.3 | -68.7 | 174 | 0 | 0 | 0 | 113.4 | V598 L822 K823 D824 G830 | V598-L826 WeakPolarHBondContact O-CD2 3.48Å; L822-L826 HydrophobicContact CD1-CD1 3.9Å; L822-L826 HydrophobicContact CD1-CG 4.12Å; L822-L826 HydrophobicContact CG-CD1 3.92Å; L822-L826 HydrophobicContact CG-CG 4.48Å; L822-L826 WeakPolarHBondContact O-CB 3.43Å; L822-L826 VanDerWaalsContact O-CG 3.23Å; L822-L826 WeakPolarHBondContact O-CG 3.49Å; L822-L826 PolarHBondContact O-N 2.99Å; K823-L826 PolarHBondContact O-N 3.35Å; D824-L826 VanDerWaalsContact C-N 3.32Å; D824-L826 PolarHBondContact O-N 2.93Å; L826-G830 WeakPolarHBondContact O-CA 3.44Å; L826-G830 PolarHBondContact O-N 3.16Å |
| 827 | S | 90.1 | Very high | 73.9 | Confident | 47 Ų | 47 | 80 Ų | 80 | 33% | 0.329 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 170.9 | 160.1 | 0 | 0 | 0 | 0 | 111 | K823 D824 | K823-S827 VanDerWaalsContact O-CB 3.27Å; K823-S827 WeakPolarHBondContact O-CB 3.33Å; K823-S827 PolarHBondContact O-N 2.99Å; D824-S827 WeakPolarHBondContact O-CB 3.32Å; D824-S827 PolarHBondContact O-N 3.45Å |
| 828 | D | 88.6 | Confident | 71 | Confident | 93 Ų | 93 | 81.6 Ų | 81.6 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -88.8 | -37.1 | -164.1 | -62.7 | 0.1 | 0 | 0 | 0 | 111.4 | D824 | D824-D828 WeakPolarHBondContact O-CB 3.43Å; D824-D828 VanDerWaalsContact O-CG 3.25Å; D824-D828 PolarHBondContact O-N 3.02Å |
| 829 | Y | 88.4 | Confident | 68.2 | Low | 45 Ų | 45 | 89.7 Ų | 89.7 | 18% | 0.176 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -25.2 | -178.2 | -51.6 | -86.6 | 0 | 0 | 0 | 113.2 | P604 Q607 L608 S611 I825 R831 F832 | P604-Y829 WeakPolarHBondContact CB-O 3.5Å; Q607-Y829 HydrophobicContact CB-CD1 3.93Å; Q607-Y829 HydrophobicContact CB-CE1 4.33Å; L608-Y829 HydrophobicContact CB-CD1 4.27Å; L608-Y829 HydrophobicContact CB-CD2 4.39Å; L608-Y829 HydrophobicContact CB-CE1 4.39Å; L608-Y829 HydrophobicContact CB-CG 4.28Å; L608-Y829 HydrophobicContact CD1-CD2 4.03Å; L608-Y829 HydrophobicContact CD1-CE2 3.65Å; S611-Y829 WeakPolarHBondContact CB-OH 3.31Å; S611-Y829 PolarHBondContact OG-OH 3.49Å; I825-Y829 HydrophobicContact CG2-CD2 4.44Å; I825-Y829 WeakPolarHBondContact O-CD2 3.41Å; I825-Y829 PolarHBondContact O-N 2.8Å; Y829-R831 PolarHBondContact O-N 3.48Å; Y829-R831 VanDerWaalsContact O-N 3.15Å; Y829-F832 WeakPolarHBondContact O-CD2 3.41Å; Y829-F832 PolarHBondContact O-N 3.37Å |
| 830 | G | 70.3 | Confident | 65.4 | Low | 15 Ų | 15 | 90.9 Ų | 90.9 | 16% | 0.155 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -66.8 | -15.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | L826 F832 N833 | L826-G830 WeakPolarHBondContact O-CA 3.44Å; L826-G830 PolarHBondContact O-N 3.16Å; G830-F832 PolarHBondContact O-N 3.36Å; G830-F832 VanDerWaalsContact O-N 3.16Å; G830-N833 PolarHBondContact O-N 3.09Å |
| 831 | R | 60.5 | Low | 62.6 | Low | 205 Ų | 205 | 93.3 Ų | 93.3 | 77% | 0.774 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -59.6 | -24.6 | 173.9 | -68.4 | -169.8 | -177.6 | -141.5 | 0.6 | 113.3 | Y829 N833 | Y829-R831 PolarHBondContact O-N 3.48Å; Y829-R831 VanDerWaalsContact O-N 3.15Å; R831-N833 VanDerWaalsContact C-N 3.33Å; R831-N833 PolarHBondContact O-N 3.36Å |
| 832 | F | 53.7 | Low | 59.1 | Low | 97 Ų | 97 | 99.9 Ų | 99.9 | 43% | 0.425 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -72.2 | -21 | -179.5 | -71.4 | -88.1 | 0 | 0 | 0 | 113.8 | P604 Y829 G830 R834 K835 | P604-F832 HydrophobicContact CB-CB 4.25Å; Y829-F832 WeakPolarHBondContact O-CD2 3.41Å; Y829-F832 PolarHBondContact O-N 3.37Å; G830-F832 PolarHBondContact O-N 3.36Å; G830-F832 VanDerWaalsContact O-N 3.16Å; F832-R834 PolarHBondContact O-N 3.37Å; F832-R834 VanDerWaalsContact O-N 3.1Å; F832-K835 PolarHBondContact O-N 3.3Å |
| 833 | N | 47 | Very low | 56 | Low | 34 Ų | 34 | 108.2 Ų | 108.2 | 18% | 0.182 | 50% | 0.502 | C | S | . | . | G | 310 helix | trans | -58.8 | -26 | 175.8 | -67.8 | 14.3 | 0 | 0 | 0 | 112.7 | D600 G830 R831 K835 | D600-N833 WeakPolarHBondContact OD2-CB 3.34Å; D600-N833 VanDerWaalsContact OD2-CG 3.27Å; D600-N833 PolarHBondContact OD2-ND2 3.47Å; G830-N833 PolarHBondContact O-N 3.09Å; R831-N833 VanDerWaalsContact C-N 3.33Å; R831-N833 PolarHBondContact O-N 3.36Å; N833-K835 PolarHBondContact O-N 3.1Å |
| 834 | R | 38 | Very low | 52.9 | Low | 234 Ų | 234 | 113.2 Ų | 113.2 | 88% | 0.883 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -87.2 | 6.2 | -173.9 | -68.1 | -168.6 | 176.8 | -165.6 | -1.2 | 115.9 | F832 | F832-R834 PolarHBondContact O-N 3.37Å; F832-R834 VanDerWaalsContact O-N 3.1Å |
| 835 | K | 35.2 | Very low | 49.8 | Very low | 204 Ų | 204 | 116.6 Ų | 116.6 | 89% | 0.887 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -136.1 | 14.7 | 179.8 | -74.1 | -162.9 | 173.3 | -170.9 | 0 | 115.6 | F832 N833 | F832-K835 PolarHBondContact O-N 3.3Å; N833-K835 PolarHBondContact O-N 3.1Å |
| 836 | S | 31 | Very low | 46.6 | Very low | 61 Ų | 61 | 121.3 Ų | 121.3 | 43% | 0.427 | 59% | 0.585 | S | S | . | * | trans | -136.1 | 50.1 | -179.3 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | N601 | N601-S836 PolarHBondContact ND2-OG 2.78Å; N601-S836 VanDerWaalsContact ND2-OG 3.08Å | ||
| 837 | S | 27.4 | Very low | 43.5 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -96.8 | 142.6 | 156.8 | -64.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 838 | T | 31.3 | Very low | 40.5 | Very low | 103 Ų | 103 | 129 Ų | 129 | 63% | 0.632 | 62% | 0.623 | S | S | * | * | trans | 51.8 | 80.6 | 165.8 | -39.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 839 | R | 29.5 | Very low | 37.8 | Very low | 221 Ų | 221 | 131.4 Ų | 131.4 | 83% | 0.834 | 64% | 0.636 | S | S | * | * | trans | -132.4 | 10.6 | 160.2 | -129.2 | -178.8 | -169.3 | -165.7 | 2.5 | 116 | ||||
| 840 | M | 31.3 | Very low | 34.9 | Very low | 130 Ų | 130 | 138 Ų | 138 | 64% | 0.64 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -89.7 | -10.4 | 163.6 | -72 | -97 | 87.4 | 0 | 0 | 112.4 | ||
| 841 | Y | 32.8 | Very low | 33 | Very low | 105 Ų | 105 | 142 Ų | 142 | 41% | 0.412 | 69% | 0.694 | S | S | . | * | trans | -133.7 | 94.9 | 179.1 | -60.2 | -59.7 | 0 | 0 | 0 | 111.5 | E744 L747 | E744-Y841 WeakPolarHBondContact OE1-CE2 3.21Å; E744-Y841 PolarHBondContact OE1-OH 3.05Å; L747-Y841 HydrophobicContact CD1-CE1 4.17Å; L747-Y841 HydrophobicContact CD2-CE1 4.34Å | ||
| 842 | E | 23.1 | Very low | 31.5 | Very low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | trans | -147.9 | 59.8 | 170 | -160.1 | 170.2 | -152.6 | 0 | 0 | 111.1 | ||||
| 843 | R | 28.2 | Very low | 30.3 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -112 | 89.2 | 167.5 | -172.3 | -174.1 | -76.9 | 170.2 | -0.7 | 109.7 | E749 S845 | E749-R843 IonicContact OE1-CZ 2.77Å; E749-R843 IonicContact OE1-NH1 3.44Å; E749-R843 PolarHBondContact OE1-NH1 2.91Å; E749-R843 IonicContact OE1-NH2 3.38Å; E749-R843 PolarHBondContact OE1-NH2 2.86Å; R843-S845 PolarHBondContact O-N 2.77Å |
| 844 | K | 26.4 | Very low | 29.6 | Very low | 204 Ų | 204 | 145.8 Ų | 145.8 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | trans | 17.9 | 84.5 | 167.3 | -65.3 | -173.7 | 177.4 | -175.5 | 0 | 116.4 | S846 | K844-S846 PolarHBondContact O-N 2.89Š| ||
| 845 | S | 25.2 | Very low | 29.3 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 120.8 | 150.3 | 51.3 | 0 | 0 | 0 | 0 | 108.5 | R843 | R843-S845 PolarHBondContact O-N 2.77Š|
| 846 | S | 27.5 | Very low | 28.9 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 123.7 | 168.9 | 38 | 0 | 0 | 0 | 0 | 109 | K844 P848 | K844-S846 PolarHBondContact O-N 2.89Å; S846-P848 WeakPolarHBondContact O-CD 3.46Å |
| 847 | E | 27.8 | Very low | 28.9 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -69 | 123.7 | 176.1 | -67.6 | -176.5 | 140 | 0 | 0 | 110.6 | N849 | E847-N849 PolarHBondContact O-N 3.3Š|
| 848 | P | 28.2 | Very low | 29 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -82.9 | 91.6 | 165.5 | 33.1 | -29.4 | 0 | 0 | 0 | 108.7 | S846 Q850 | S846-P848 WeakPolarHBondContact O-CD 3.46Å; P848-Q850 PolarHBondContact O-N 3.35Å | ||
| 849 | N | 31.3 | Very low | 28.7 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -68 | 97.1 | 172.8 | -96.4 | -56.8 | 0 | 0 | 0 | 110.4 | E847 S851 | E847-N849 PolarHBondContact O-N 3.3Å; N849-S851 PolarHBondContact O-N 3.5Å | ||
| 850 | Q | 27.8 | Very low | 28.7 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -77.3 | 113.5 | 171.1 | -71.4 | -176.4 | -18.8 | 0 | 0 | 110.7 | P848 | P848-Q850 PolarHBondContact O-N 3.35Š| ||
| 851 | S | 29.3 | Very low | 28.6 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -171.3 | 94.3 | 145.5 | 49.7 | 0 | 0 | 0 | 0 | 111 | N849 | N849-S851 PolarHBondContact O-N 3.5Š| ||
| 852 | N | 29.7 | Very low | 28.5 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | 157.6 | 84.6 | 133.4 | -75.9 | -12.5 | 0 | 0 | 0 | 111.3 | ||||
| 853 | D | 27.5 | Very low | 28.7 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -69.6 | 162.2 | 151.8 | -148 | 38.9 | 0 | 0 | 0 | 108.1 | ||||
| 854 | P | 33.4 | Very low | 29 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | cis | -140.9 | -177.3 | 15.6 | 44.6 | -26.9 | 0 | 0 | 0 | 118.2 | ||||
| 855 | S | 31.5 | Very low | 29.2 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | 90.1 | 100.3 | 150 | 69.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 856 | E | 26.2 | Very low | 29.6 | Very low | 195 Ų | 195 | 139.1 Ų | 139.1 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -77.4 | 124.1 | 139.3 | -70.2 | -172.9 | 124 | 0 | 0 | 109.5 | ||||
| 857 | K | 31.2 | Very low | 29.7 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -155.1 | 141.4 | 146.9 | -87.3 | -143.8 | 175.7 | -173.2 | 0 | 111.7 | ||||
| 858 | D | 29.9 | Very low | 30 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | 57.6 | 117.1 | 156.9 | -51.7 | -32.8 | 0 | 0 | 0 | 118.4 | ||||
| 859 | C | 24.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -71.1 | 155.7 | 167.2 | -50.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 860 | I | 29.8 | Very low | 30.1 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 158.5 | 104.3 | 135 | -82.5 | 160.7 | 0 | 0 | 0 | 112 | ||||
| 861 | T | 28.8 | Very low | 30.2 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | 81.4 | 151 | 135.8 | -58.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 862 | T | 31.4 | Very low | 30.3 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | trans | 66.2 | 107.8 | 172.1 | 36.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 863 | N | 27.6 | Very low | 30.3 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | 73 | 117.7 | 69.8 | -74.4 | -0.9 | 0 | 0 | 0 | 114.8 | |||||
| 864 | I | 34.6 | Very low | 30.4 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | -168.4 | 155 | 113.9 | -96.2 | 157.4 | 0 | 0 | 0 | 110 | |||||
| 865 | N | 30 | Very low | 30.2 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -87.4 | 151.2 | -164.7 | -45.1 | -25.3 | 0 | 0 | 0 | 114.8 | ||||
| 866 | S | 34.3 | Very low | 30 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | -168.5 | 112.9 | 122.5 | 56.9 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 867 | D | 30.5 | Very low | 30.2 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | 65.5 | 135.6 | 91.3 | -58.7 | -49.9 | 0 | 0 | 0 | 112.5 | |||||
| 868 | E | 33.5 | Very low | 30.1 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | cis | -160.5 | 138 | 25.7 | -162.9 | 175.7 | -140.7 | 0 | 0 | 112.9 | ||||
| 869 | S | 31.6 | Very low | 30.2 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | 61.8 | 159.4 | 155.2 | 78.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 870 | C | 30.1 | Very low | 30.4 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | cis | -162.3 | 156.4 | -33 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 871 | N | 29.8 | Very low | 30.3 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | 33.6 | 143.8 | 142.2 | -64.1 | -9.9 | 0 | 0 | 0 | 122.6 | ||||
| 872 | S | 30.9 | Very low | 30.2 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | cis | -171.5 | 152.2 | -3.8 | 48 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 873 | T | 29.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -2.7 | 143.3 | 151.2 | 60.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 874 | N | 30 | Very low | 30.2 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 65% | 0.652 | 74% | 0.736 | S | S | * | * | -176.8 | 156.4 | 65.1 | -113.5 | -43.9 | 0 | 0 | 0 | 114.8 | |||||
| 875 | Q | 30.6 | Very low | 30.1 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | trans | 62.3 | 120.9 | 144.5 | -70.2 | 164.1 | 29.7 | 0 | 0 | 120.2 | ||||
| 876 | S | 27.3 | Very low | 30.2 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | 78.7 | 140.3 | 85.3 | -62.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 877 | T | 29.2 | Very low | 30.1 | Very low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | cis | -164.5 | 155 | 5.7 | 8.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 878 | T | 30 | Very low | 30.2 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | trans | 57.1 | 122.8 | 148.2 | 56.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 879 | N | 31.1 | Very low | 30.1 | Very low | 141 Ų | 141 | 122.6 Ų | 122.6 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | 77.3 | 105.6 | 125.2 | -60.4 | -4.2 | 0 | 0 | 0 | 124.6 | |||||
| 880 | L | 27.6 | Very low | 30.1 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | 73.3 | 138 | 117.9 | -116.6 | 63.6 | 0 | 0 | 0 | 124.3 | |||||
| 881 | F | 29 | Very low | 30.1 | Very low | 175 Ų | 175 | 124.3 Ų | 124.3 | 77% | 0.768 | 74% | 0.735 | S | S | * | * | trans | 69.3 | 99.2 | 159.9 | -75 | -74.5 | 0 | 0 | 0 | 122.8 | ||||
| 882 | T | 27 | Very low | 30.3 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | 72.2 | 100.4 | 110.6 | -61.1 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 883 | T | 28 | Very low | 30.3 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | 94.8 | 108.2 | 122.7 | -65.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 884 | T | 30.8 | Very low | 30.3 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 72.2 | 163 | 145.2 | 61.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 885 | H | 31.9 | Very low | 30.2 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | cis | -155.6 | 151.7 | 5.1 | -129.8 | -46.4 | 0 | 0 | 0 | 114 | ||||
| 886 | A | 31.9 | Very low | 30.1 | Very low | 78 Ų | 78 | 127.6 Ų | 127.6 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | trans | 63.4 | 173.7 | 142.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 887 | I | 32.2 | Very low | 30.2 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | cis | -131.6 | 147.8 | 9.7 | -62.7 | 169.4 | 0 | 0 | 0 | 107.5 | ||||
| 888 | S | 33.1 | Very low | 30.2 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | cis | -113.8 | -146.1 | 9.9 | -150 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 889 | G | 30.8 | Very low | 30.1 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | cis | 176.1 | 178.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 890 | S | 31.3 | Very low | 30 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | cis | -152.2 | -168.7 | -5 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 891 | T | 30.3 | Very low | 30.1 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -114 | 159.1 | -175.7 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 892 | T | 34.4 | Very low | 29.9 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | cis | -146.9 | 159.4 | 22.4 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 893 | N | 29.9 | Very low | 30.1 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | 3.2 | 151.1 | 135.3 | -72.1 | -43.3 | 0 | 0 | 0 | 119.8 | ||||
| 894 | L | 29.1 | Very low | 30.1 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | cis | -163.6 | 178.9 | 26.2 | -124.8 | 158.5 | 0 | 0 | 0 | 113.3 | ||||
| 895 | K | 28.8 | Very low | 30 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | trans | -42.9 | 166.1 | 170.3 | -71.1 | 167.5 | 171 | -169.9 | 0 | 117 | ||||
| 896 | Q | 29 | Very low | 29.8 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 65% | 0.645 | 73% | 0.731 | S | S | * | * | cis | -167.8 | 165.9 | 5.3 | -123.4 | 176 | -80.6 | 0 | 0 | 112.5 | ||||
| 897 | N | 29 | Very low | 29.9 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | trans | 66.5 | 155.9 | 153.1 | -69.7 | 21.7 | 0 | 0 | 0 | 118.4 | ||||
| 898 | T | 30 | Very low | 29.8 | Very low | 107 Ų | 107 | 129 Ų | 129 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | cis | -155.5 | 145.5 | -1.9 | 2.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 899 | E | 27.4 | Very low | 29.9 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | 46.7 | 128.1 | 140.2 | -74.5 | 179.2 | 153.2 | 0 | 0 | 126.1 | ||||
| 900 | I | 28.2 | Very low | 30 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 65% | 0.646 | 72% | 0.721 | S | S | * | * | trans | 71.4 | 111.2 | 130.5 | -59.1 | 166.8 | 0 | 0 | 0 | 120.5 | ||||
| 901 | N | 30 | Very low | 30 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | -169.6 | 162.4 | 108.8 | -104.4 | -66.4 | 0 | 0 | 0 | 113.7 | |||||
| 902 | D | 26 | Very low | 30 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | trans | -88.8 | -164.3 | -176.2 | -68.1 | -70 | 0 | 0 | 0 | 114.6 | ||||
| 903 | I | 29.5 | Very low | 29.9 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 77% | 0.774 | 72% | 0.716 | S | S | * | * | trans | 107.7 | 103.6 | 168.6 | -60.9 | 169.7 | 0 | 0 | 0 | 111.4 | ||||
| 904 | L | 28.8 | Very low | 29.9 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | 67.4 | 149.7 | 77.7 | -63.4 | 164.9 | 0 | 0 | 0 | 111.9 | |||||
| 905 | V | 28 | Very low | 30.3 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | cis | -152.7 | 152.8 | 19.6 | 88.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 906 | S | 28.8 | Very low | 30.4 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | trans | 24.2 | 161.5 | 137.2 | -48.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 907 | D | 32.8 | Very low | 30.3 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | 179.4 | 163.9 | 79.9 | -89.4 | -14.9 | 0 | 0 | 0 | 109 | |||||
| 908 | L | 31.3 | Very low | 30.3 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 67% | 0.665 | 73% | 0.727 | S | S | * | * | cis | -170.5 | 172.5 | -10.7 | -109.3 | 169.4 | 0 | 0 | 0 | 110.1 | ||||
| 909 | I | 34.1 | Very low | 30.1 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 72% | 0.723 | 72% | 0.723 | S | S | * | * | trans | 69.3 | 141.9 | 149 | -78 | 157.9 | 0 | 0 | 0 | 118.3 | ||||
| 910 | N | 32.6 | Very low | 30.2 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | cis | -178.5 | -177.4 | -33.2 | -108.7 | 30.9 | 0 | 0 | 0 | 106.3 | ||||
| 911 | D | 31.3 | Very low | 30.1 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | cis | -158.6 | 177.6 | 5.8 | -131.7 | -34.6 | 0 | 0 | 0 | 112.8 | ||||
| 912 | D | 30.9 | Very low | 30 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | trans | 67.3 | 148.6 | 147.5 | -92.3 | -35.5 | 0 | 0 | 0 | 127.4 | ||||
| 913 | D | 32.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | 86.5 | 140.5 | 149.7 | -123.3 | -16.8 | 0 | 0 | 0 | 125 | ||||
| 914 | M | 30.2 | Very low | 30 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 79% | 0.788 | 73% | 0.727 | S | S | * | * | trans | -164.8 | 128.1 | -176.1 | -144.4 | -77.6 | -176.2 | 0 | 0 | 110.4 | ||||
| 915 | P | 38.4 | Very low | 29.8 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | trans | -151.5 | 132.3 | 132.4 | 32.9 | -14.1 | 0 | 0 | 0 | 118 | ||||
| 916 | R | 29 | Very low | 29.7 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 82% | 0.819 | 73% | 0.726 | S | S | * | * | 41.6 | 134.4 | 128.1 | -66.9 | -175.5 | 179.1 | 162.3 | 1.6 | 123.1 | |||||
| 917 | N | 27.5 | Very low | 29.6 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | 100.3 | 147.9 | 127 | -88.5 | 25.3 | 0 | 0 | 0 | 121.9 | |||||
| 918 | H | 29.9 | Very low | 29.3 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | 70.8 | 149.8 | 168.3 | -62.6 | -65.4 | 0 | 0 | 0 | 118.4 | ||||
| 919 | S | 25.6 | Very low | 29.2 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 57% | 0.573 | 73% | 0.731 | S | S | * | * | 178.5 | 158.9 | -50.8 | 42.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 920 | H | 28.9 | Very low | 28.8 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | 84.6 | 123.4 | 171.1 | -69.2 | -84.8 | 0 | 0 | 0 | 120.4 | ||||
| 921 | N | 26.4 | Very low | 28.8 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | trans | -10.5 | 144.1 | 140.6 | -46.8 | -7.7 | 0 | 0 | 0 | 117.1 | ||||
| 922 | Y | 28.1 | Very low | 28.5 | Very low | 220 Ų | 220 | 138.9 Ų | 138.9 | 86% | 0.863 | 73% | 0.731 | S | S | * | * | -160 | 169.9 | 90.8 | -108.1 | -76.2 | 0 | 0 | 0 | 111.7 | |||||
| 923 | A | 29.5 | Very low | 28.6 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | trans | -98.8 | -166.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 924 | Y | 26.5 | Very low | 28.2 | Very low | 224 Ų | 224 | 142.9 Ų | 142.9 | 88% | 0.878 | 74% | 0.737 | S | S | * | * | trans | 87.7 | 148.3 | -173.2 | -70.2 | -102.5 | 0 | 0 | 0 | 116 | ||||
| 925 | S | 24.9 | Very low | 28.3 | Very low | 83 Ų | 83 | 141.7 Ų | 141.7 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | cis | 165.1 | 138.7 | -35.3 | 174.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 926 | L | 24.6 | Very low | 27.9 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | trans | 63.2 | 162.3 | 170.5 | -63 | 156.8 | 0 | 0 | 0 | 113.5 | ||||
| 927 | T | 27.8 | Very low | 27.9 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | cis | -143.7 | 168.9 | 28.3 | 40.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 928 | S | 25.2 | Very low | 28 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | -22.1 | 161.5 | 157 | 58.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 929 | S | 29.2 | Very low | 28.1 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | cis | -167.1 | 140.3 | 45.6 | 37.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 930 | D | 26 | Very low | 28.4 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 66% | 0.658 | 75% | 0.751 | S | S | * | * | 37.6 | 123.9 | 127.4 | -50.6 | -72.1 | 0 | 0 | 0 | 122.8 | |||||
| 931 | H | 33 | Very low | 28.2 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | 173.5 | 119.1 | 107.4 | -86.8 | -53.9 | 0 | 0 | 0 | 109.2 | |||||
| 932 | S | 25.2 | Very low | 28.4 | Very low | 83 Ų | 83 | 143.3 Ų | 143.3 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | cis | 90.7 | 95.9 | 37.2 | 83.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 933 | K | 31.7 | Very low | 28.5 | Very low | 202 Ų | 202 | 139.4 Ų | 139.4 | 88% | 0.878 | 73% | 0.733 | S | S | * | * | trans | 169.6 | 112.1 | 158.6 | -97 | 156.3 | -175 | 176.1 | 0 | 106.6 | ||||
| 934 | Q | 25.2 | Very low | 28.4 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | cis | 73 | 97.4 | 17.2 | -157.9 | -173.9 | 26.9 | 0 | 0 | 115.5 | ||||
| 935 | T | 32 | Very low | 28.5 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | -177.9 | 151.8 | 149.4 | 27 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 936 | N | 30.8 | Very low | 28.6 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 55% | 0.551 | 74% | 0.743 | S | S | * | * | cis | -165.5 | 140.1 | -37.5 | -140.5 | -11.3 | 0 | 0 | 0 | 109.1 | ||||
| 937 | Y | 27.8 | Very low | 28.9 | Very low | 242 Ų | 242 | 136.7 Ų | 136.7 | 95% | 0.949 | 74% | 0.74 | S | S | * | * | trans | -154.6 | 99.1 | 145.6 | -99.3 | -64.3 | 0 | 0 | 0 | 108.9 | ||||
| 938 | N | 29.8 | Very low | 28.9 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 66% | 0.658 | 74% | 0.741 | S | S | * | * | trans | -90.6 | 143.6 | 172 | -75.6 | -33.9 | 0 | 0 | 0 | 110.1 | ||||
| 939 | L | 32 | Very low | 28.9 | Very low | 159 Ų | 159 | 143 Ų | 143 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | 171.9 | 134.9 | 134.4 | -110.6 | 72.5 | 0 | 0 | 0 | 105.8 | ||||
| 940 | L | 30.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | cis | -130.7 | 158.6 | 6 | -95.3 | 154.2 | 0 | 0 | 0 | 110.9 | ||||
| 941 | N | 26.1 | Very low | 29 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -121.3 | -175.5 | 165.9 | -157.9 | 66.8 | 0 | 0 | 0 | 107.8 | ||||
| 942 | D | 30.2 | Very low | 28.8 | Very low | 111 Ų | 111 | 138 Ų | 138 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | trans | 70.7 | 149.5 | 165.2 | -70.3 | 0.6 | 0 | 0 | 0 | 117 | ||||
| 943 | K | 29.5 | Very low | 29 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 60% | 0.6 | 75% | 0.753 | S | S | * | * | cis | -166.2 | 144.6 | -11.3 | -114.7 | -170.9 | -175.6 | 69 | 0 | 113.5 | ||||
| 944 | F | 27.6 | Very low | 28.9 | Very low | 202 Ų | 202 | 138 Ų | 138 | 89% | 0.886 | 74% | 0.742 | S | S | * | * | trans | 72.8 | 157.8 | 132.3 | -83.7 | -142.8 | 0 | 0 | 0 | 125.2 | ||||
| 945 | G | 29 | Very low | 29.2 | Very low | 75 Ų | 75 | 138.5 Ų | 138.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | 121.4 | 102.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 946 | G | 28 | Very low | 29.3 | Very low | 65 Ų | 65 | 135.8 Ų | 135.8 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | cis | 100.4 | 144.2 | 37.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 947 | D | 30 | Very low | 29.3 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | cis | -173 | 155.2 | 1.2 | -89 | -50.4 | 0 | 0 | 0 | 107.9 | ||||
| 948 | F | 27.8 | Very low | 29.5 | Very low | 174 Ų | 174 | 132 Ų | 132 | 76% | 0.763 | 73% | 0.731 | S | S | * | * | cis | -158.8 | -157.7 | -0.3 | -153.1 | -127.4 | 0 | 0 | 0 | 112.9 | ||||
| 949 | F | 25.3 | Very low | 29.6 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 77% | 0.772 | 73% | 0.733 | S | S | * | * | trans | -64.4 | 150.7 | -179.9 | -81.7 | -118.6 | 0 | 0 | 0 | 119.4 | ||||
| 950 | S | 29.1 | Very low | 29.4 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -171.6 | 119.8 | 134.8 | -166.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 951 | S | 28.1 | Very low | 29.2 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | 59.5 | 133.3 | 83.3 | 161.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 952 | S | 29.4 | Very low | 29.4 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | cis | -160.2 | 162.9 | 10.7 | -102.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 953 | K | 28 | Very low | 29.3 | Very low | 193 Ų | 193 | 131.2 Ų | 131.2 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | 35.5 | 138 | 143.9 | -57.8 | 171.3 | -176.8 | 174.6 | 0 | 119.4 | ||||
| 954 | S | 31.1 | Very low | 29.3 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -163.9 | 145.8 | 42.1 | 53.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 955 | Q | 30.9 | Very low | 29.4 | Very low | 186 Ų | 186 | 127.7 Ų | 127.7 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | 56.6 | 140.9 | 140.2 | -67.5 | 171.5 | -57 | 0 | 0 | 120.7 | ||||
| 956 | A | 33.6 | Very low | 29.4 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 63% | 0.628 | 75% | 0.75 | S | S | * | * | cis | -165.9 | 158.5 | -13.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 957 | N | 31.4 | Very low | 29.4 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | 32.5 | 147.7 | 140.4 | -56.4 | 6.3 | 0 | 0 | 0 | 122 | ||||
| 958 | N | 31.8 | Very low | 29.4 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | cis | -170 | 151.2 | -16.1 | -102.5 | -14.8 | 0 | 0 | 0 | 109.5 | ||||
| 959 | N | 31.1 | Very low | 29.4 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 35.5 | 118.1 | 146.8 | -61.3 | 4.2 | 0 | 0 | 0 | 122.9 | ||||
| 960 | M | 27.8 | Very low | 29.7 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | 80.1 | 132.8 | 121.2 | -67.9 | 176.7 | 65.2 | 0 | 0 | 123.3 | |||||
| 961 | E | 27.5 | Very low | 29.7 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | trans | 92.7 | 149.1 | 138.6 | -86.3 | 179.5 | -165.3 | 0 | 0 | 123 | ||||
| 962 | A | 30.5 | Very low | 29.9 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 88% | 0.884 | 76% | 0.762 | S | S | * | * | trans | 71 | 156.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 963 | S | 27.6 | Very low | 29.8 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -137.7 | 129.7 | -168.7 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 964 | S | 29.9 | Very low | 30 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -171.2 | 118.7 | 151.5 | 56.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 965 | D | 28.8 | Very low | 30.1 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | 46.8 | 130.5 | 138.7 | -49.5 | -13.5 | 0 | 0 | 0 | 122.5 | ||||
| 966 | D | 29.4 | Very low | 30.1 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -38.5 | 156.4 | 168.9 | -53.3 | -46.9 | 0 | 0 | 0 | 118.4 | ||||
| 967 | L | 29.3 | Very low | 30.4 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 179.8 | 123.7 | 114.4 | -115.4 | 68.7 | 0 | 0 | 0 | 113.7 | |||||
| 968 | L | 28.8 | Very low | 30.2 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | 56.9 | 163.4 | 141.8 | -58.6 | 172 | 0 | 0 | 0 | 121.2 | ||||
| 969 | G | 27.4 | Very low | 30.3 | Very low | 54 Ų | 54 | 138.9 Ų | 138.9 | 56% | 0.557 | 78% | 0.779 | S | S | * | * | cis | 146.4 | 139.9 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 970 | F | 31.5 | Very low | 30.1 | Very low | 213 Ų | 213 | 139.7 Ų | 139.7 | 93% | 0.934 | 78% | 0.783 | S | S | * | * | trans | -158.4 | 126.1 | 166.4 | -81.7 | -74.8 | 0 | 0 | 0 | 107.6 | ||||
| 971 | H | 29.8 | Very low | 30.4 | Very low | 163 Ų | 163 | 140 Ų | 140 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | cis | 87.8 | 101.7 | 5.9 | -144.1 | -6.8 | 0 | 0 | 0 | 117.8 | ||||
| 972 | V | 31.7 | Very low | 30.6 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -154.7 | 130.1 | 162.5 | 176.7 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 973 | E | 28.6 | Very low | 30.7 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | cis | -154.3 | 167.6 | -4 | -107.5 | 166.5 | 178.1 | 0 | 0 | 105.3 | ||||
| 974 | S | 31.8 | Very low | 30.9 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | cis | -163.8 | 163.7 | -3.2 | 48.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 975 | S | 33.2 | Very low | 30.9 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | cis | -160.2 | 175 | 3.5 | 25 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 976 | F | 30.1 | Very low | 31.4 | Very low | 207 Ų | 207 | 135.7 Ų | 135.7 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | trans | -90.2 | 166.7 | -166 | -79.5 | -99.3 | 0 | 0 | 0 | 117.3 | ||||
| 977 | P | 39.9 | Very low | 31.4 | Very low | 98 Ų | 98 | 134 Ų | 134 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | -113.8 | -175.8 | 180 | 43.6 | -35.1 | 0 | 0 | 0 | 116.2 | ||||
| 978 | N | 28.3 | Very low | 31.4 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | 77.2 | 123.7 | 164 | -60.8 | -11.9 | 0 | 0 | 0 | 119.9 | ||||
| 979 | T | 32.4 | Very low | 31.5 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | -175.7 | 141.8 | 95.7 | 39.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 980 | D | 27.8 | Very low | 31.8 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 28.4 | 123.4 | 150.5 | -51.3 | -21.1 | 0 | 0 | 0 | 122.9 | ||||
| 981 | T | 33.5 | Very low | 31.6 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 93% | 0.926 | 77% | 0.769 | S | S | * | * | -171.7 | 164.4 | 109.4 | 19 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 982 | A | 31.4 | Very low | 31.7 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -66.3 | 156.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 983 | T | 32.8 | Very low | 31.7 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -140.2 | 180 | 33.6 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 984 | T | 32.8 | Very low | 31.8 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | cis | -145.9 | -173.4 | 31.3 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 985 | S | 29.8 | Very low | 32.4 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -162 | 172 | -173.2 | 15.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 986 | P | 39.2 | Very low | 32.4 | Very low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -142.7 | 174.9 | -21.4 | 39.4 | -20.6 | 0 | 0 | 0 | 116.1 | ||||
| 987 | T | 30.2 | Very low | 32.4 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 26.5 | 125.4 | 142.9 | 63.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 988 | T | 29.1 | Very low | 31.9 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | 78.3 | 150.9 | 127.3 | 58 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 989 | T | 30.9 | Very low | 32 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 83.5 | 112 | 155.3 | 40.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 990 | S | 32 | Very low | 32 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 66.7 | 107.8 | 133 | 63.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 991 | N | 29 | Very low | 32.1 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | 61.8 | 149.1 | 118.2 | -67.5 | 18.4 | 0 | 0 | 0 | 125.2 | |||||
| 992 | T | 31.8 | Very low | 32 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | trans | 65.5 | 139.3 | 157.6 | 51.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 993 | D | 32.1 | Very low | 31.8 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | cis | -156.2 | 170.4 | -5.3 | -97.4 | -25.1 | 0 | 0 | 0 | 111.7 | ||||
| 994 | D | 30.3 | Very low | 32.2 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | -71.7 | 177.3 | -175.7 | -61.9 | -59.9 | 0 | 0 | 0 | 115.9 | ||||
| 995 | P | 44.6 | Very low | 32 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | -154.3 | 142.5 | 96.6 | 40.2 | -21.7 | 0 | 0 | 0 | 118.8 | |||||
| 996 | I | 31.6 | Very low | 31.7 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | 68.8 | 131.5 | 127.6 | -67.4 | 177.1 | 0 | 0 | 0 | 118.4 | |||||
| 997 | L | 29.9 | Very low | 31.1 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | cis | -166.5 | 170.8 | 7.3 | -153.3 | 64.8 | 0 | 0 | 0 | 112.4 | ||||
| 998 | I | 31.2 | Very low | 30.8 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | trans | 66.4 | 109.1 | 164.1 | -51.1 | -178.8 | 0 | 0 | 0 | 115.2 | ||||
| 999 | D | 30.2 | Very low | 30.6 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | cis | -154.7 | -151.6 | -4 | -129 | -97.6 | 0 | 0 | 0 | 107.3 | ||||
| 1000 | V | 31.2 | Very low | 30.3 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | cis | -153.9 | 169.4 | 16.1 | 79.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1001 | A | 31.3 | Very low | 29.9 | Very low | 68 Ų | 68 | 146.3 Ų | 146.3 | 56% | 0.562 | 77% | 0.773 | S | S | * | * | trans | -59.4 | 157.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1002 | Q | 30.4 | Very low | 29.8 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | cis | -159.4 | -179.3 | -4.9 | -121.5 | 172.5 | 11.8 | 0 | 0 | 112.8 | ||||
| 1003 | N | 27.7 | Very low | 29.5 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -80 | 166.5 | -171.4 | -103.5 | -27.5 | 0 | 0 | 0 | 116.1 | ||||
| 1004 | P | 40.9 | Very low | 29.2 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | -99.3 | -170 | -170.4 | 41.7 | -38.7 | 0 | 0 | 0 | 113.7 | ||||
| 1005 | F | 27.7 | Very low | 29.1 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -168.9 | 119.3 | 136.6 | -122.3 | -95.9 | 0 | 0 | 0 | 114.5 | ||||
| 1006 | V | 25.1 | Very low | 28.5 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | 29.7 | 134.5 | 141.6 | -160.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1007 | I | 26.4 | Very low | 28.5 | Very low | 158 Ų | 158 | 146 Ų | 146 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | 161.3 | 144 | 126.4 | -83.4 | 171.9 | 0 | 0 | 0 | 112.9 | |||||
| 1008 | Y | 23.3 | Very low | 28.6 | Very low | 220 Ų | 220 | 145.2 Ų | 145.2 | 86% | 0.863 | 76% | 0.763 | S | S | * | * | trans | -59 | 143.6 | 169 | -89.5 | -112.9 | 0 | 0 | 0 | 114.1 | ||||
| 1009 | N | 25.3 | Very low | 28.6 | Very low | 154 Ų | 154 | 143 Ų | 143 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | -165.8 | 174.2 | 112.6 | -138.7 | -21 | 0 | 0 | 0 | 114.9 | |||||
| 1010 | K | 24.6 | Very low | 28.6 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | -71.1 | 154.2 | 169.1 | -65.1 | 177.5 | 173.8 | 179.8 | 0 | 113.3 | ||||
| 1011 | N | 24.4 | Very low | 28.5 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | 65.2 | 142.4 | 165.2 | -55 | 4.7 | 0 | 0 | 0 | 113.9 | ||||
| 1012 | S | 25.5 | Very low | 28.5 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | cis | -159.1 | 169.8 | 37.2 | -167.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1013 | L | 25.5 | Very low | 28.4 | Very low | 142 Ų | 142 | 138 Ų | 138 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -61.4 | 154.1 | 148.5 | -69.4 | 155.2 | 0 | 0 | 0 | 109.3 | ||||
| 1014 | D | 26.8 | Very low | 28.5 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | cis | -146.6 | 172 | 16.6 | -89.8 | -54.6 | 0 | 0 | 0 | 112 | ||||
| 1015 | E | 28.4 | Very low | 28 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | -137.4 | 158.2 | 165.5 | -87.4 | -153.4 | 119.5 | 0 | 0 | 108.1 | ||||
| 1016 | I | 31.5 | Very low | 28.1 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 64% | 0.641 | 73% | 0.728 | S | S | * | * | cis | -160.9 | 156 | 16 | -125.7 | 167.7 | 0 | 0 | 0 | 106 | ||||
| 1017 | I | 31.9 | Very low | 28.3 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 65% | 0.646 | 73% | 0.731 | S | S | * | * | cis | -166.3 | 170.9 | -0.3 | -153.2 | 177.5 | 0 | 0 | 0 | 110.2 | ||||
| 1018 | T | 31.7 | Very low | 28.3 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | trans | 67.1 | 145 | 159.4 | 54.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1019 | S | 30.7 | Very low | 28.5 | Very low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | cis | -167.3 | 161.1 | -12.4 | 49 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1020 | S | 30.1 | Very low | 28.6 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | trans | 64.6 | 131.9 | 144.8 | 58.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1021 | T | 30.3 | Very low | 28.9 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | cis | -164.6 | 150.4 | 3.8 | 3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1022 | T | 30 | Very low | 29 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | 26.4 | 141.9 | 145.2 | 54.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1023 | S | 28.9 | Very low | 29.1 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | cis | 171.6 | 162.6 | 10.9 | 46.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1024 | Q | 29.5 | Very low | 29.2 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 67% | 0.673 | 73% | 0.734 | S | S | * | * | cis | -168.6 | -179.9 | -10.1 | -111.6 | 161.8 | -92.3 | 0 | 0 | 107.7 | ||||
| 1025 | H | 30.8 | Very low | 29.2 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | trans | 35.9 | 140 | 147.7 | -60.5 | -42.2 | 0 | 0 | 0 | 122.1 | ||||
| 1026 | N | 28.6 | Very low | 29.5 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | cis | -168.3 | 155.6 | -0.3 | -113.1 | -3 | 0 | 0 | 0 | 111.4 | ||||
| 1027 | N | 29.5 | Very low | 29.6 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | 65.8 | 145.6 | 151.8 | -61.6 | 5.1 | 0 | 0 | 0 | 118.7 | ||||
| 1028 | S | 27.9 | Very low | 29.6 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | cis | -166.7 | 147 | -9.5 | 42.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1029 | D | 27.1 | Very low | 29.7 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | 72.6 | 156.4 | 151.4 | -58.1 | -32.9 | 0 | 0 | 0 | 122.9 | ||||
| 1030 | D | 28 | Very low | 30.2 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | 59.4 | 92.5 | 172.6 | -72.4 | -20.9 | 0 | 0 | 0 | 121.4 | ||||
| 1031 | L | 30.7 | Very low | 30.8 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 89% | 0.89 | 70% | 0.698 | S | S | * | * | -157.3 | 166.3 | 101 | -132.2 | 75.1 | 0 | 0 | 0 | 113 | |||||
| 1032 | K | 26.3 | Very low | 31.5 | Very low | 190 Ų | 190 | 131.5 Ų | 131.5 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | trans | -142.4 | 164.4 | 176.3 | -78.3 | -178.8 | 177 | 168.8 | 0 | 111.4 | ||||
| 1033 | Q | 26.9 | Very low | 32.3 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 86% | 0.86 | 67% | 0.669 | S | S | * | * | trans | 69.2 | 82.1 | 160.7 | -69.5 | -179.6 | -19.3 | 0 | 0 | 118.9 | ||||
| 1034 | T | 27.1 | Very low | 33.3 | Very low | 137 Ų | 137 | 125 Ų | 125 | 84% | 0.84 | 64% | 0.642 | S | S | * | * | trans | -152.6 | 74 | 151 | 44.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1035 | D | 27.9 | Very low | 33.8 | Very low | 156 Ų | 156 | 124 Ų | 124 | 83% | 0.834 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -158.2 | 20.6 | 176.6 | -105.2 | -32.4 | 0 | 0 | 0 | 115.8 | ||
| 1036 | Q | 33.8 | Very low | 33.8 | Very low | 180 Ų | 180 | 125 Ų | 125 | 84% | 0.841 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -129.8 | 10.5 | 178.5 | -73.5 | -170.8 | -18.9 | 0 | 0 | 114.3 | ||
| 1037 | K | 33.5 | Very low | 33.8 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -94.6 | -43.3 | -175 | -143 | 164.9 | -175.2 | 169.7 | 0 | 112.7 | E106 | E106-K1037 IonicContact OE2-NZ 3.42Å; E106-K1037 PolarHBondContact OE2-NZ 3.11Å |
| 1038 | S | 31.9 | Very low | 33.6 | Very low | 74 Ų | 74 | 122.7 Ų | 122.7 | 52% | 0.517 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -56.9 | -60.3 | -177.6 | 44.2 | 0 | 0 | 0 | 0 | 114 | V1040 D1041 D1042 | S1038-V1040 PolarHBondContact O-N 2.69Å; S1038-D1041 PolarHBondContact O-N 3.32Å; S1038-D1042 PolarHBondContact O-N 2.66Å; S1038-D1042 VanDerWaalsContact O-N 3.14Å |
| 1039 | F | 35 | Very low | 33.4 | Very low | 167 Ų | 167 | 124 Ų | 124 | 73% | 0.732 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -59.4 | -16.8 | -171.7 | -166 | -93.6 | 0 | 0 | 0 | 114.9 | ||
| 1040 | V | 40 | Very low | 33.3 | Very low | 46 Ų | 46 | 122.7 Ų | 122.7 | 28% | 0.279 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -88.6 | -45.9 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | S102 S1038 D1042 L1043 F1044 | S102-V1040 WeakPolarHBondContact OG-CG1 3.17Å; S1038-V1040 PolarHBondContact O-N 2.69Å; V1040-D1042 VanDerWaalsContact C-N 3.33Å; V1040-D1042 PolarHBondContact O-N 2.84Å; V1040-L1043 PolarHBondContact O-N 3.47Å; V1040-F1044 HydrophobicContact CG1-CD2 4.34Å; V1040-F1044 HydrophobicContact CG1-CE2 3.79Å; V1040-F1044 WeakPolarHBondContact O-CD2 3.44Å |
| 1041 | D | 43.2 | Very low | 33 | Very low | 72 Ų | 72 | 123.3 Ų | 123.3 | 39% | 0.385 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.5 | -34 | -179.6 | -71 | -31.8 | 0 | 0 | 0 | 112.1 | S1038 L1043 F1044 N1045 | S1038-D1041 PolarHBondContact O-N 3.32Å; D1041-L1043 VanDerWaalsContact C-N 3.28Å; D1041-L1043 PolarHBondContact O-N 2.92Å; D1041-F1044 PolarHBondContact O-N 3.1Å; D1041-N1045 PolarHBondContact O-N 2.85Å; D1041-N1045 PolarHBondContact O-ND2 2.91Å |
| 1042 | D | 45.9 | Very low | 32.7 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 57% | 0.567 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.3 | -31.1 | 177.1 | -68.3 | -32.6 | 0 | 0 | 0 | 113.2 | S1038 V1040 | S1038-D1042 PolarHBondContact O-N 2.66Å; S1038-D1042 VanDerWaalsContact O-N 3.14Å; V1040-D1042 VanDerWaalsContact C-N 3.33Å; V1040-D1042 PolarHBondContact O-N 2.84Å |
| 1043 | L | 46.2 | Very low | 32.7 | Very low | 55 Ų | 55 | 119 Ų | 119 | 29% | 0.288 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -79.4 | -22.9 | 179.1 | -158.8 | 82.7 | 0 | 0 | 0 | 112.7 | L79 R83 K86 V1040 D1041 | L79-L1043 HydrophobicContact CD1-CD2 3.86Å; L79-L1043 HydrophobicContact CD2-CD2 3.64Å; L79-L1043 HydrophobicContact CG-CD2 3.46Å; L79-L1043 VanDerWaalsContact CG-CD2 3.46Å; R83-L1043 HydrophobicContact CG-CD2 4.47Å; K86-L1043 PolarHBondContact NZ-O 3.17Å; V1040-L1043 PolarHBondContact O-N 3.47Å; D1041-L1043 VanDerWaalsContact C-N 3.28Å; D1041-L1043 PolarHBondContact O-N 2.92Å |
| 1044 | F | 49.9 | Very low | 32.5 | Very low | 23 Ų | 23 | 115.5 Ų | 115.5 | 10% | 0.101 | 63% | 0.63 | C | S | . | * | H | α-helix | trans | -81.6 | -45.5 | 174 | -67.5 | -63.1 | 0 | 0 | 0 | 110.8 | L79 V82 K86 A100 F115 V1040 D1041 F1046 | L79-F1044 HydrophobicContact CD1-CE2 4.49Å; L79-F1044 HydrophobicContact CD1-CZ 3.93Å; V82-F1044 HydrophobicContact CG1-CE1 4.38Å; K86-F1044 PolarHBondContact NZ-O 3.12Å; A100-F1044 VanDerWaalsContact C-CD1 3.47Å; A100-F1044 HydrophobicContact CB-CD1 3.92Å; A100-F1044 HydrophobicContact CB-CE1 3.65Å; A100-F1044 WeakPolarHBondContact O-CD1 3.33Å; F115-F1044 HydrophobicContact CD1-CZ 4.08Å; F115-F1044 HydrophobicContact CE1-CZ 4.05Å; V1040-F1044 HydrophobicContact CG1-CD2 4.34Å; V1040-F1044 HydrophobicContact CG1-CE2 3.79Å; V1040-F1044 WeakPolarHBondContact O-CD2 3.44Å; D1041-F1044 PolarHBondContact O-N 3.1Å; F1044-F1046 PolarHBondContact O-N 2.88Å |
| 1045 | N | 39.3 | Very low | 32.5 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 65% | 0.647 | 63% | 0.633 | S | S | * | * | trans | -83.7 | 64.9 | -175.4 | -70.2 | -46.3 | 0 | 0 | 0 | 114.6 | D1041 | D1041-N1045 PolarHBondContact O-N 2.85Å; D1041-N1045 PolarHBondContact O-ND2 2.91Å | ||
| 1046 | F | 32.2 | Very low | 32.3 | Very low | 161 Ų | 161 | 116.6 Ų | 116.6 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | trans | -125.6 | 75.9 | 166.7 | -122.5 | -86.3 | 0 | 0 | 0 | 111.5 | F1044 | F1044-F1046 PolarHBondContact O-N 2.88Š| ||
| 1047 | N | 26.7 | Very low | 31.8 | Very low | 122 Ų | 122 | 114.5 Ų | 114.5 | 65% | 0.652 | 62% | 0.62 | S | S | * | * | trans | -105 | 81.8 | 166.2 | -88.4 | 2.9 | 0 | 0 | 0 | 108.9 | ||||
| 1048 | S | 27.1 | Very low | 31.5 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 61% | 0.608 | 63% | 0.628 | S | S | * | * | trans | -80.9 | 111.8 | 166.5 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | V1050 | S1048-V1050 PolarHBondContact O-N 3.47Å; S1048-V1050 VanDerWaalsContact O-N 3.14Å | ||
| 1049 | S | 23.5 | Very low | 31.1 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 81% | 0.811 | 64% | 0.642 | S | S | * | * | trans | -58.9 | 113.6 | -179.4 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1050 | V | 24.5 | Very low | 30.7 | Very low | 126 Ų | 126 | 121.6 Ų | 121.6 | 76% | 0.764 | 65% | 0.648 | S | S | * | * | trans | -94.6 | 107.1 | 158.1 | 177.8 | 0 | 0 | 0 | 0 | 106.9 | S1048 V1052 | S1048-V1050 PolarHBondContact O-N 3.47Å; S1048-V1050 VanDerWaalsContact O-N 3.14Å; V1050-V1052 PolarHBondContact O-N 2.68Å | ||
| 1051 | E | 21.9 | Very low | 29.9 | Very low | 165 Ų | 165 | 125.6 Ų | 125.6 | 77% | 0.771 | 66% | 0.663 | S | S | * | * | trans | -68.8 | 95 | 175.7 | -68.3 | -170.9 | 138.3 | 0 | 0 | 110.3 | N1053 | E1051-N1053 PolarHBondContact O-N 3.18Š| ||
| 1052 | V | 23.8 | Very low | 29.2 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | -74.3 | 80.5 | 164.4 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | V1050 S1054 | V1050-V1052 PolarHBondContact O-N 2.68Å; V1052-S1054 PolarHBondContact O-N 3.36Å | ||
| 1053 | N | 25.9 | Very low | 28.3 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | -62.2 | 130 | 173.9 | -114.5 | -56.3 | 0 | 0 | 0 | 109.7 | E1051 | E1051-N1053 PolarHBondContact O-N 3.18Š| ||
| 1054 | S | 23.8 | Very low | 27.3 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | trans | -76.5 | 129.5 | -172.3 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | V1052 | V1052-S1054 PolarHBondContact O-N 3.36Š| ||
| 1055 | K | 26 | Very low | 26.2 | Very low | 205 Ų | 205 | 139.2 Ų | 139.2 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | -146.3 | 148 | 151.2 | -120.6 | 171.9 | -175.8 | 177.2 | 0 | 110.8 | ||||
| 1056 | T | 24.5 | Very low | 25.5 | Very low | 110 Ų | 110 | 141 Ų | 141 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -92.5 | 174.6 | -171 | 48 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1057 | D | 24.2 | Very low | 25.3 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 72.3 | 102.9 | 157.1 | -41.5 | -50.9 | 0 | 0 | 0 | 117.6 | ||||
| 1058 | I | 26.3 | Very low | 25.2 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | 175.9 | 135.9 | 103.9 | -86.7 | 156.5 | 0 | 0 | 0 | 110 | |||||
| 1059 | D | 23.9 | Very low | 25.2 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -69.6 | 145.7 | 175.1 | -59.9 | -69.3 | 0 | 0 | 0 | 113.3 | ||||
| 1060 | W | 26.8 | Very low | 25.3 | Very low | 226 Ų | 226 | 143.3 Ų | 143.3 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -146.3 | 90 | 162.4 | -77.9 | 103 | 0 | 0 | 0 | 112.2 | ||||
| 1061 | E | 21.6 | Very low | 25.6 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 60% | 0.603 | 77% | 0.773 | S | S | * | * | trans | -91.3 | 154.3 | 147.6 | -78.6 | -164 | 138.8 | 0 | 0 | 109.6 | Q321 | Q321-E1061 PolarHBondContact NE2-OE1 3.08Š| ||
| 1062 | N | 28.9 | Very low | 25.8 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | 69.9 | 137.6 | 177.8 | -44.9 | -72.5 | 0 | 0 | 0 | 113.5 | ||||
| 1063 | V | 28 | Very low | 26.1 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | cis | -144.9 | 145.5 | 27.5 | 165.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1064 | F | 24.8 | Very low | 26.1 | Very low | 207 Ų | 207 | 140.7 Ų | 140.7 | 91% | 0.908 | 77% | 0.766 | S | S | * | * | trans | -74.5 | 121.4 | 162.4 | -104.9 | -87.9 | 0 | 0 | 0 | 110.5 | ||||
| 1065 | G | 26.5 | Very low | 26.3 | Very low | 71 Ų | 71 | 139.1 Ų | 139.1 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -137 | 98.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1066 | I | 24.7 | Very low | 26.6 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | trans | -84.8 | 123.6 | 173.9 | -62.7 | 160.6 | 0 | 0 | 0 | 109.4 | ||||
| 1067 | T | 28.1 | Very low | 26.8 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | -168.9 | 161.7 | 139.8 | 8.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1068 | S | 24 | Very low | 27 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | -120 | -172 | -172.7 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1069 | S | 26.8 | Very low | 27.1 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | trans | 73.8 | 147.6 | -175.6 | 76.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1070 | E | 27.3 | Very low | 27.4 | Very low | 178 Ų | 178 | 130 Ų | 130 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | cis | -156.7 | 150.6 | -8.4 | -117.5 | 165.3 | -161.8 | 0 | 0 | 106.4 | ||||
| 1071 | S | 29.7 | Very low | 27.5 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | -172.7 | 139.8 | 52.4 | 42.9 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1072 | T | 26.9 | Very low | 28 | Very low | 112 Ų | 112 | 125 Ų | 125 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | 46.1 | 135.2 | 83.6 | 79.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1073 | K | 29.6 | Very low | 28 | Very low | 186 Ų | 186 | 123.5 Ų | 123.5 | 81% | 0.809 | 72% | 0.715 | S | S | * | * | cis | -146.4 | 162.3 | 27.2 | -67.8 | 168.4 | -170.8 | 170.1 | 0 | 110.1 | ||||
| 1074 | T | 26.8 | Very low | 28.1 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | cis | 90.3 | 125.8 | 23.5 | -53.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 1075 | T | 28 | Very low | 28.5 | Very low | 79 Ų | 79 | 118.1 Ų | 118.1 | 49% | 0.485 | 70% | 0.7 | S | S | . | * | cis | -167.5 | -157 | -6.6 | -85.9 | 0 | 0 | 0 | 0 | 110.1 | N1182 L1183 | T1075-N1182 VanDerWaalsContact CA-OD1 3.29Å; T1075-N1182 WeakPolarHBondContact CA-OD1 3.35Å; T1075-N1182 VanDerWaalsContact CB-OD1 3.25Å; T1075-N1182 WeakPolarHBondContact CB-OD1 3.46Å; T1075-N1182 PolarHBondContact N-OD1 3.26Å; T1075-N1182 VanDerWaalsContact O-CB 3.23Å; T1075-N1182 WeakPolarHBondContact O-CB 3.5Å; T1075-N1182 VanDerWaalsContact O-CG 3.3Å; T1075-L1183 VanDerWaalsContact O-CA 3.29Å; T1075-L1183 WeakPolarHBondContact O-CA 3.43Å; T1075-L1183 PolarHBondContact O-N 2.88Å | ||
| 1076 | T | 31.4 | Very low | 28.7 | Very low | 88 Ų | 88 | 120 Ų | 120 | 54% | 0.54 | 70% | 0.697 | S | S | . | * | trans | -82.1 | 157.8 | -166.2 | -40.4 | 0 | 0 | 0 | 0 | 121.3 | I1078 N1182 | T1076-I1078 HydrophobicContact CG2-CG1 4.49Å; T1076-N1182 PolarHBondContact N-ND2 2.81Å; T1076-N1182 VanDerWaalsContact N-ND2 3.18Å; T1076-N1182 WeakPolarHBondContact O-CB 3.34Å; T1076-N1182 PolarHBondContact O-ND2 3.11Å | ||
| 1077 | I | 29.3 | Very low | 29.1 | Very low | 96 Ų | 96 | 119 Ų | 119 | 49% | 0.492 | 69% | 0.694 | S | S | . | * | trans | -159.4 | 137.6 | 150.7 | -97.3 | 150.1 | 0 | 0 | 0 | 106.7 | N1182 L1183 | I1077-N1182 HydrophobicContact CD1-CB 4.44Å; I1077-L1183 HydrophobicContact CB-CD1 3.73Å; I1077-L1183 HydrophobicContact CB-CG 4.32Å; I1077-L1183 HydrophobicContact CG2-CD1 4.05Å | ||
| 1078 | I | 28.2 | Very low | 29.3 | Very low | 126 Ų | 126 | 117.8 Ų | 117.8 | 65% | 0.646 | 68% | 0.682 | S | S | * | * | cis | 102.2 | 141.2 | 24.8 | -60.3 | 166.2 | 0 | 0 | 0 | 113.6 | T1076 | T1076-I1078 HydrophobicContact CG2-CG1 4.49Š| ||
| 1079 | T | 27.3 | Very low | 29.6 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | trans | 87.9 | 143.5 | 177.5 | 70.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1080 | T | 31 | Very low | 29.7 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | cis | -172 | 164.2 | -7.1 | 22.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1081 | S | 29 | Very low | 29.8 | Very low | 76 Ų | 76 | 117.9 Ų | 117.9 | 53% | 0.531 | 68% | 0.684 | S | S | . | * | cis | -177.1 | 169.5 | -30.8 | 52.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1082 | H | 31 | Very low | 29.8 | Very low | 175 Ų | 175 | 117 Ų | 117 | 81% | 0.81 | 68% | 0.678 | S | S | * | * | trans | 71.4 | 153.8 | 169.4 | -50.7 | -59.2 | 0 | 0 | 0 | 117.6 | ||||
| 1083 | S | 28.9 | Very low | 30 | Very low | 102 Ų | 102 | 119 Ų | 119 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | cis | -172.8 | 178 | -20.1 | 55 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1084 | T | 31.2 | Very low | 30.2 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | cis | -129 | -153.5 | 8.5 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1085 | T | 31.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 117.3 Ų | 117.3 | 66% | 0.663 | 69% | 0.686 | S | S | * | * | cis | -154.3 | 131.8 | 1.6 | -17.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1086 | T | 32.4 | Very low | 30.4 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | trans | 40.9 | 140.4 | 147.4 | 56.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1087 | N | 32.7 | Very low | 30.4 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | cis | -174.6 | 175.2 | 2.6 | -103.6 | 3.7 | 0 | 0 | 0 | 107.4 | ||||
| 1088 | N | 31.7 | Very low | 30.5 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | cis | -155.7 | 145.5 | 0.9 | -132 | 11.7 | 0 | 0 | 0 | 113.1 | ||||
| 1089 | I | 30.1 | Very low | 30.5 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | trans | 25.9 | 127.6 | 136.1 | -56 | 170.1 | 0 | 0 | 0 | 121.5 | ||||
| 1090 | G | 28.7 | Very low | 30.6 | Very low | 64 Ų | 64 | 127.5 Ų | 127.5 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | trans | 163.5 | 84.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1091 | L | 30.9 | Very low | 30.6 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 91% | 0.911 | 74% | 0.739 | S | S | * | * | trans | 63.2 | 163.4 | 158 | -57 | 171.2 | 0 | 0 | 0 | 117.8 | ||||
| 1092 | S | 29 | Very low | 30.6 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | cis | -171.6 | 149 | -34.2 | 57.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1093 | N | 31.9 | Very low | 30.6 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | 68.6 | 148.9 | 161.5 | -54.4 | -14.4 | 0 | 0 | 0 | 117.5 | ||||
| 1094 | N | 32.4 | Very low | 30.7 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | cis | -157.4 | 153.6 | -24 | -151.4 | 31.2 | 0 | 0 | 0 | 108.9 | ||||
| 1095 | P | 33.6 | Very low | 30.7 | Very low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | trans | -109.8 | -178.2 | -168.5 | 41.5 | -34.7 | 0 | 0 | 0 | 116.7 | ||||
| 1096 | F | 25.3 | Very low | 30.6 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -67.5 | 152.2 | 165.9 | -79 | -113.5 | 0 | 0 | 0 | 112.5 | ||||
| 1097 | D | 32.1 | Very low | 30.4 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 179.3 | 157.6 | 103.4 | -145.8 | 30.6 | 0 | 0 | 0 | 111.9 | |||||
| 1098 | P | 32.3 | Very low | 30.2 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 57% | 0.565 | 76% | 0.757 | S | S | * | * | trans | -117.8 | 176.2 | -177.2 | 41.1 | -30.5 | 0 | 0 | 0 | 116.5 | ||||
| 1099 | F | 28.1 | Very low | 29.9 | Very low | 213 Ų | 213 | 135 Ų | 135 | 93% | 0.934 | 77% | 0.765 | S | S | * | * | trans | 108.6 | 144.6 | 167 | -66.7 | -69 | 0 | 0 | 0 | 117 | ||||
| 1100 | G | 29.3 | Very low | 29.9 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 126.7 | 37 | 159.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1101 | I | 30.6 | Very low | 29.8 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | 36 | 106.8 | 149.6 | -54 | 175.3 | 0 | 0 | 0 | 118.7 | ||||
| 1102 | A | 28.8 | Very low | 29.8 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | 44.4 | 151.5 | 131.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1103 | T | 30.7 | Very low | 30 | Very low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | cis | -145.9 | 152.1 | 27.2 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1104 | S | 31.8 | Very low | 29.9 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 46.9 | 118.1 | 150.1 | 61.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1105 | E | 29.6 | Very low | 29.9 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -17.2 | 141 | 144.4 | -46.8 | 172.2 | 142.9 | 0 | 0 | 114.7 | ||||
| 1106 | L | 29.8 | Very low | 29.7 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | -150.9 | 164.3 | 55.3 | -98.4 | 166.7 | 0 | 0 | 0 | 115.4 | |||||
| 1107 | S | 29.9 | Very low | 29.9 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | trans | -30.9 | 151.4 | 174.9 | 53.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1108 | D | 28.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | 82.7 | 99.3 | 144.6 | -61 | -15.7 | 0 | 0 | 0 | 122.2 | ||||
| 1109 | F | 25.9 | Very low | 29.8 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | 27.1 | 103 | 115.9 | -72.1 | -84.3 | 0 | 0 | 0 | 116.1 | |||||
| 1110 | F | 28.8 | Very low | 29.8 | Very low | 182 Ų | 182 | 123 Ų | 123 | 80% | 0.798 | 72% | 0.716 | S | S | * | * | -166.7 | 172.1 | 67.8 | -111.8 | -80.4 | 0 | 0 | 0 | 114 | |||||
| 1111 | S | 27.9 | Very low | 30 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | trans | -32.1 | 129.9 | 177 | -52 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1112 | V | 30.8 | Very low | 30 | Very low | 136 Ų | 136 | 127 Ų | 127 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | 31.3 | 116.3 | 124.1 | -176.3 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1113 | P | 33.3 | Very low | 30.1 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | -137.2 | 148.2 | 117.2 | 37 | -27.4 | 0 | 0 | 0 | 114.5 | |||||
| 1114 | N | 28.1 | Very low | 30 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -121.8 | 149.7 | 146.1 | -152.1 | -8.5 | 0 | 0 | 0 | 107.5 | ||||
| 1115 | S | 32.5 | Very low | 29.9 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -64.3 | 130.6 | -162 | 21.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1116 | N | 29.2 | Very low | 29.9 | Very low | 142 Ų | 142 | 126 Ų | 126 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | cis | 79 | 116 | 49.5 | -170.2 | 17.5 | 0 | 0 | 0 | 112.5 | ||||
| 1117 | I | 30.9 | Very low | 29.9 | Very low | 86 Ų | 86 | 121.9 Ų | 121.9 | 44% | 0.441 | 70% | 0.696 | S | S | . | * | trans | -156.1 | 120.8 | 161.3 | -136.2 | 91.8 | 0 | 0 | 0 | 113.4 | L1130 P1131 | I1117-L1130 HydrophobicContact CG1-CD1 4.31Å; I1117-L1130 HydrophobicContact CG1-CG 4.13Å; I1117-L1130 HydrophobicContact CG2-CD1 4.24Å; I1117-L1130 HydrophobicContact CG2-CG 4.11Å; I1117-P1131 HydrophobicContact CB-CG 4.32Å; I1117-P1131 HydrophobicContact CD1-CG 4.2Å; I1117-P1131 HydrophobicContact CG1-CG 4.5Å; I1117-P1131 HydrophobicContact CG2-CG 4.43Å | ||
| 1118 | S | 29.1 | Very low | 30.1 | Very low | 62 Ų | 62 | 122.8 Ų | 122.8 | 43% | 0.434 | 70% | 0.698 | S | S | . | * | trans | 38.5 | 144.1 | 130.9 | 76.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 1119 | S | 32.4 | Very low | 30.3 | Very low | 92 Ų | 92 | 122.6 Ų | 122.6 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | cis | -157.8 | 133.9 | 15.8 | 50.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1120 | E | 27.5 | Very low | 30.5 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 55% | 0.547 | 69% | 0.687 | S | S | . | * | 61.5 | 124.1 | 129.8 | -59 | -179.2 | 149.3 | 0 | 0 | 123.2 | T1127 | E1120-T1127 WeakPolarHBondContact OE1-CA 3.49Å; E1120-T1127 WeakPolarHBondContact OE1-CB 3.32Å; E1120-T1127 WeakPolarHBondContact OE1-CG2 3.49Å; E1120-T1127 PolarHBondContact OE1-N 2.91Å; E1120-T1127 PolarHBondContact OE1-OG1 3.36Å; E1120-T1127 WeakPolarHBondContact OE2-CG2 3.46Å | |||
| 1121 | K | 34.8 | Very low | 31.1 | Very low | 206 Ų | 206 | 114.1 Ų | 114.1 | 90% | 0.896 | 67% | 0.67 | S | S | * | * | -146.9 | 137.2 | 124.7 | -116.5 | 172 | -175.6 | 174.2 | 0 | 110.9 | |||||
| 1122 | S | 30.4 | Very low | 31.1 | Very low | 114 Ų | 114 | 116.8 Ų | 116.8 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -29.3 | 140.7 | -178.5 | -43.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1123 | T | 31.3 | Very low | 31.1 | Very low | 131 Ų | 131 | 118.6 Ų | 118.6 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | S | Bend | cis | -136.1 | 143 | 29.1 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1124 | T | 27.3 | Very low | 30.9 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | S | Bend | cis | -150.2 | 133.9 | 13 | -38.1 | 0 | 0 | 0 | 0 | 110 | ||
| 1125 | T | 29.3 | Very low | 30.8 | Very low | 126 Ų | 126 | 116.3 Ų | 116.3 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | trans | 48.2 | 124.4 | 159.2 | 47.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1126 | T | 31 | Very low | 30.7 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | cis | -164.7 | 119.3 | 4 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1127 | T | 29.9 | Very low | 30.7 | Very low | 73 Ų | 73 | 117.2 Ų | 117.2 | 45% | 0.448 | 68% | 0.68 | S | S | . | * | 43.4 | 128.8 | 112.7 | -21.6 | 0 | 0 | 0 | 0 | 117 | E1120 | E1120-T1127 WeakPolarHBondContact OE1-CA 3.49Å; E1120-T1127 WeakPolarHBondContact OE1-CB 3.32Å; E1120-T1127 WeakPolarHBondContact OE1-CG2 3.49Å; E1120-T1127 PolarHBondContact OE1-N 2.91Å; E1120-T1127 PolarHBondContact OE1-OG1 3.36Å; E1120-T1127 WeakPolarHBondContact OE2-CG2 3.46Å | |||
| 1128 | T | 32.6 | Very low | 31 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 64% | 0.644 | 70% | 0.698 | S | S | * | * | cis | -173.8 | 154 | 29.9 | -12.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1129 | I | 32.9 | Very low | 31.1 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 67% | 0.667 | 71% | 0.712 | S | S | * | * | trans | 57.4 | 150.6 | 142.6 | -82.9 | 162.3 | 0 | 0 | 0 | 121.7 | ||||
| 1130 | L | 31.5 | Very low | 30.8 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 59% | 0.592 | 72% | 0.719 | S | S | * | * | cis | -164.1 | 155.1 | -37.4 | -143.2 | 113.4 | 0 | 0 | 0 | 109.6 | I1117 | I1117-L1130 HydrophobicContact CG1-CD1 4.31Å; I1117-L1130 HydrophobicContact CG1-CG 4.13Å; I1117-L1130 HydrophobicContact CG2-CD1 4.24Å; I1117-L1130 HydrophobicContact CG2-CG 4.11Å | ||
| 1131 | P | 40.6 | Very low | 31.6 | Very low | 68 Ų | 68 | 123.3 Ų | 123.3 | 44% | 0.442 | 73% | 0.732 | S | S | . | * | trans | -122 | 163.7 | -166.5 | 41.6 | -30.3 | 0 | 0 | 0 | 116.4 | I1117 | I1117-P1131 HydrophobicContact CB-CG 4.32Å; I1117-P1131 HydrophobicContact CD1-CG 4.2Å; I1117-P1131 HydrophobicContact CG1-CG 4.5Å; I1117-P1131 HydrophobicContact CG2-CG 4.43Å | ||
| 1132 | N | 28.1 | Very low | 31.5 | Very low | 150 Ų | 150 | 118.7 Ų | 118.7 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | trans | 178.8 | 164.3 | 136.8 | -112.8 | -69.2 | 0 | 0 | 0 | 118.5 | ||||
| 1133 | K | 31.3 | Very low | 31.6 | Very low | 174 Ų | 174 | 119.1 Ų | 119.1 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | trans | 72.4 | 108.2 | 148.7 | -81 | 179.5 | 178 | -178.9 | 0 | 123.5 | ||||
| 1134 | T | 28.2 | Very low | 31.5 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | 33 | 125.7 | 120.1 | 61.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1135 | A | 27 | Very low | 31.8 | Very low | 100 Ų | 100 | 120 Ų | 120 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | 164.3 | 162.8 | 112.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1136 | T | 30.4 | Very low | 32 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | trans | -72.6 | 138.7 | 171 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1137 | T | 27.4 | Very low | 32.1 | Very low | 137 Ų | 137 | 121 Ų | 121 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | trans | -179.3 | 138.2 | 135.7 | 18.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1138 | T | 38.3 | Very low | 32.4 | Very low | 132 Ų | 132 | 123 Ų | 123 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | trans | -80.5 | 146.3 | 143.3 | 48.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1139 | P | 30.3 | Very low | 32.6 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | -149.8 | 163 | 85 | 39.1 | -21.1 | 0 | 0 | 0 | 117.2 | |||||
| 1140 | S | 26.7 | Very low | 32.8 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 21.3 | 142.9 | 145.2 | -50.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1141 | P | 43.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -87 | 168.9 | -179.1 | 38.1 | -38.4 | 0 | 0 | 0 | 114.3 | ||||
| 1142 | P | 34.3 | Very low | 32.5 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | trans | -130.5 | 143 | 148.7 | 36.6 | -24.6 | 0 | 0 | 0 | 115.2 | ||||
| 1143 | T | 32.3 | Very low | 32.7 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 63.5 | 114.8 | 154 | 53.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 1144 | T | 29.5 | Very low | 32.8 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 68 | 140.2 | 87.2 | -14 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1145 | I | 32.1 | Very low | 33.1 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | cis | -146.8 | 153.6 | 22 | -18.4 | 176.9 | 0 | 0 | 0 | 106.9 | ||||
| 1146 | T | 35 | Very low | 33.3 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | -165.4 | 136.3 | 56.9 | 48.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1147 | N | 32.4 | Very low | 33.5 | Very low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 63.3 | 148.2 | 137.6 | -51.4 | -11.5 | 0 | 0 | 0 | 120 | ||||
| 1148 | T | 36.9 | Very low | 33.7 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | cis | -143.9 | 143.7 | 14.9 | 42.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1149 | T | 35.5 | Very low | 33.4 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | 60.3 | 140.7 | 143.2 | 58.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1150 | T | 36.6 | Very low | 33.5 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | cis | -169.1 | 150.8 | 0.6 | 12 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1151 | S | 33.1 | Very low | 33.7 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 68.9 | 143.3 | 145.3 | -175 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1152 | K | 33.6 | Very low | 33.1 | Very low | 181 Ų | 181 | 134 Ų | 134 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | cis | -173.6 | 167.7 | -9.5 | -101.2 | 177.8 | -179.1 | 177.2 | 0 | 105.3 | ||||
| 1153 | D | 32.5 | Very low | 32.9 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | cis | 170.9 | 165.4 | -25.6 | -103.9 | -35.1 | 0 | 0 | 0 | 106.3 | ||||
| 1154 | Y | 32.9 | Very low | 32.9 | Very low | 207 Ų | 207 | 132.2 Ų | 132.2 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | trans | 75.6 | 122.4 | 176.6 | -64 | -88.2 | 0 | 0 | 0 | 117.7 | ||||
| 1155 | F | 34.4 | Very low | 32.9 | Very low | 187 Ų | 187 | 132 Ų | 132 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | cis | 76.6 | 135.5 | 47 | -83.3 | -92.8 | 0 | 0 | 0 | 115 | ||||
| 1156 | G | 31.9 | Very low | 33 | Very low | 60 Ų | 60 | 128.9 Ų | 128.9 | 62% | 0.619 | 75% | 0.749 | S | S | * | * | cis | -160.9 | 165.4 | 3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1157 | Q | 34.4 | Very low | 32.8 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | 65.5 | 140 | 97.5 | -103.7 | -166.3 | 41.8 | 0 | 0 | 115.4 | |||||
| 1158 | Q | 32.4 | Very low | 32.8 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | cis | -139.7 | 176.8 | 8.6 | -58.4 | 176.8 | -13.4 | 0 | 0 | 109 | ||||
| 1159 | G | 31.6 | Very low | 32.6 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | cis | -174 | -166.3 | 3.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1160 | S | 32.7 | Very low | 32.3 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | cis | -149.6 | 157.3 | -7.7 | 62.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1161 | H | 30.4 | Very low | 32 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | 56.7 | 140.8 | 63.6 | -91.5 | -87.5 | 0 | 0 | 0 | 115.2 | |||||
| 1162 | L | 31 | Very low | 31.6 | Very low | 169 Ų | 169 | 132 Ų | 132 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | cis | -106.5 | -160.5 | 20.7 | -64.5 | 168.2 | 0 | 0 | 0 | 115.6 | ||||
| 1163 | S | 29.7 | Very low | 32.1 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -163.4 | -166 | -172.5 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1164 | A | 32.1 | Very low | 31.7 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | trans | 88 | 151.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1165 | S | 31 | Very low | 31.6 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | cis | -173.7 | -177.3 | -23 | 62 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1166 | A | 32.5 | Very low | 31.2 | Very low | 78 Ų | 78 | 123.1 Ų | 123.1 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | cis | -161.2 | 173.4 | 4.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1167 | S | 32.1 | Very low | 30.8 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 64.9 | 148 | 151.3 | 58 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1168 | A | 32 | Very low | 30.4 | Very low | 86 Ų | 86 | 122.1 Ų | 122.1 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | cis | -171.3 | 154.3 | -19.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1169 | S | 31.5 | Very low | 30.1 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | 72.5 | 156.5 | 154.2 | 87.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 1170 | N | 30.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | cis | -162.9 | 160.5 | -3.4 | -133 | -10.2 | 0 | 0 | 0 | 114.4 | ||||
| 1171 | F | 29.8 | Very low | 29.7 | Very low | 190 Ų | 190 | 122.5 Ų | 122.5 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | trans | 67.3 | 170.1 | 160.3 | -75.4 | -69.2 | 0 | 0 | 0 | 122.4 | ||||
| 1172 | N | 25.6 | Very low | 29.7 | Very low | 147 Ų | 147 | 118 Ų | 118 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | trans | -168.4 | -177.2 | -148.3 | -147.7 | 14.7 | 0 | 0 | 0 | 109.7 | ||||
| 1173 | P | 43.5 | Very low | 29.6 | Very low | 94 Ų | 94 | 114.8 Ų | 114.8 | 61% | 0.61 | 70% | 0.699 | S | S | * | * | -120.6 | -162.9 | -72.8 | 34.9 | -16.2 | 0 | 0 | 0 | 114.8 | |||||
| 1174 | L | 24.2 | Very low | 29.9 | Very low | 142 Ų | 142 | 115 Ų | 115 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | 119.4 | 154.5 | 150.7 | -78.6 | 131.9 | 0 | 0 | 0 | 121.8 | ||||
| 1175 | F | 30.1 | Very low | 30.3 | Very low | 172 Ų | 172 | 115.7 Ų | 115.7 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | trans | 77.6 | 98 | 157.3 | -79.7 | -70.3 | 0 | 0 | 0 | 124 | ||||
| 1176 | T | 25.7 | Very low | 30.4 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 66% | 0.663 | 70% | 0.696 | S | S | * | * | 45.9 | 125.3 | 124.6 | 64.1 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1177 | S | 24.5 | Very low | 30.6 | Very low | 111 Ų | 111 | 119.7 Ų | 119.7 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | 58.2 | 144.4 | 125.5 | 75.9 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1178 | A | 26.1 | Very low | 30.5 | Very low | 84 Ų | 84 | 121.6 Ų | 121.6 | 69% | 0.694 | 70% | 0.699 | S | S | * | * | trans | 98.2 | 96.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1179 | S | 25.3 | Very low | 30.6 | Very low | 102 Ų | 102 | 122 Ų | 122 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | 69.9 | 155.1 | 119.8 | -50.4 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1180 | F | 27.5 | Very low | 30.5 | Very low | 182 Ų | 182 | 123.7 Ų | 123.7 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | trans | 76.1 | 103.2 | 161.3 | -68.4 | -74.4 | 0 | 0 | 0 | 121.4 | ||||
| 1181 | T | 28.7 | Very low | 31.4 | Very low | 87 Ų | 87 | 123 Ų | 123 | 53% | 0.534 | 69% | 0.694 | S | S | . | * | 46.3 | 147.9 | 114 | 65.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1182 | N | 30.9 | Very low | 31.4 | Very low | 59 Ų | 59 | 119.4 Ų | 119.4 | 32% | 0.316 | 68% | 0.684 | S | S | . | * | cis | -176.3 | -176.1 | -11.1 | -98.4 | -13.4 | 0 | 0 | 0 | 112.4 | T1075 T1076 I1077 | T1075-N1182 VanDerWaalsContact CA-OD1 3.29Å; T1075-N1182 WeakPolarHBondContact CA-OD1 3.35Å; T1075-N1182 VanDerWaalsContact CB-OD1 3.25Å; T1075-N1182 WeakPolarHBondContact CB-OD1 3.46Å; T1075-N1182 PolarHBondContact N-OD1 3.26Å; T1075-N1182 VanDerWaalsContact O-CB 3.23Å; T1075-N1182 WeakPolarHBondContact O-CB 3.5Å; T1075-N1182 VanDerWaalsContact O-CG 3.3Å; T1076-N1182 PolarHBondContact N-ND2 2.81Å; T1076-N1182 VanDerWaalsContact N-ND2 3.18Å; T1076-N1182 WeakPolarHBondContact O-CB 3.34Å; T1076-N1182 PolarHBondContact O-ND2 3.11Å; I1077-N1182 HydrophobicContact CD1-CB 4.44Å | ||
| 1183 | L | 28.9 | Very low | 31.8 | Very low | 101 Ų | 101 | 120 Ų | 120 | 53% | 0.529 | 68% | 0.679 | S | S | . | * | trans | 85.2 | 136.5 | 160.1 | -75.9 | 179.4 | 0 | 0 | 0 | 123.1 | T1075 I1077 | T1075-L1183 VanDerWaalsContact O-CA 3.29Å; T1075-L1183 WeakPolarHBondContact O-CA 3.43Å; T1075-L1183 PolarHBondContact O-N 2.88Å; I1077-L1183 HydrophobicContact CB-CD1 3.73Å; I1077-L1183 HydrophobicContact CB-CG 4.32Å; I1077-L1183 HydrophobicContact CG2-CD1 4.05Å | ||
| 1184 | S | 36 | Very low | 31.3 | Very low | 105 Ų | 105 | 121 Ų | 121 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | trans | -99.6 | 171 | 163.5 | -32.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1185 | P | 40.8 | Very low | 31.6 | Very low | 109 Ų | 109 | 120 Ų | 120 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | -161.8 | 162 | 71.9 | 43.3 | -21.8 | 0 | 0 | 0 | 120.7 | |||||
| 1186 | N | 31.9 | Very low | 31.7 | Very low | 149 Ų | 149 | 117.3 Ų | 117.3 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | trans | 55.9 | 173.7 | 135.9 | -64.7 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1187 | V | 36.4 | Very low | 32 | Very low | 131 Ų | 131 | 118.3 Ų | 118.3 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | trans | 90 | 123.3 | 163.7 | -176.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1188 | E | 31.6 | Very low | 32.4 | Very low | 157 Ų | 157 | 116.9 Ų | 116.9 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | cis | -156.7 | -175.2 | 1.2 | -139.6 | -171.7 | -123.6 | 0 | 0 | 108.6 | ||||
| 1189 | T | 32.7 | Very low | 32.7 | Very low | 94 Ų | 94 | 119.5 Ų | 119.5 | 58% | 0.577 | 69% | 0.69 | S | S | * | * | cis | -149.2 | 160.6 | 1 | -26.9 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1190 | I | 30.3 | Very low | 32.8 | Very low | 146 Ų | 146 | 120 Ų | 120 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | cis | 69.7 | 146.3 | 32.7 | -67.5 | 173.6 | 0 | 0 | 0 | 111.6 | ||||
| 1191 | P | 48.5 | Very low | 33 | Very low | 113 Ų | 113 | 117 Ų | 117 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | cis | -105 | -141.7 | 8.3 | 28.1 | -4.3 | 0 | 0 | 0 | 112.2 | ||||
| 1192 | D | 31.2 | Very low | 33 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | cis | -162.9 | 171.7 | 11.9 | -162 | 15.2 | 0 | 0 | 0 | 113.6 | ||||
| 1193 | K | 32.9 | Very low | 33 | Very low | 158 Ų | 158 | 122.4 Ų | 122.4 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | trans | 27.8 | 131 | 165.6 | -68.1 | -178.5 | -170.5 | 74.7 | 0 | 120.7 | ||||
| 1194 | T | 32.8 | Very low | 33.2 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -162.3 | 139.5 | 9.3 | 6.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1195 | T | 31.6 | Very low | 32.8 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | trans | 64.2 | 127.5 | 137.7 | -54.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1196 | T | 31.6 | Very low | 32.4 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | cis | -178.4 | 175.7 | -6.3 | 32.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1197 | T | 31.4 | Very low | 32.3 | Very low | 129 Ų | 129 | 123 Ų | 123 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | cis | -178.2 | 162.2 | -10 | 32.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 1198 | A | 33 | Very low | 31.9 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | cis | -179.5 | 131.3 | -20 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1199 | T | 32.2 | Very low | 31.8 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | 83.8 | -177.1 | 132.7 | -50.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1200 | T | 29 | Very low | 31.8 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | trans | -129.6 | 152.1 | -136.7 | -20.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1201 | T | 30.8 | Very low | 31.9 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | 61.2 | 108.5 | 150.1 | 37 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1202 | T | 29 | Very low | 31.2 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | 47.9 | 119.2 | 130.9 | 57.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1203 | T | 31.1 | Very low | 31.1 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | 179.9 | 141.1 | 122.2 | 22 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1204 | T | 31.8 | Very low | 30.8 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | trans | 34.1 | 119.7 | 151.3 | 54.8 | 0 | 0 | 0 | 0 | 127 | ||||
| 1205 | T | 29 | Very low | 30.5 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 66.4 | 139.5 | 131.5 | 60.6 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1206 | N | 31.4 | Very low | 31 | Very low | 167 Ų | 167 | 133 Ų | 133 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | 69.8 | 126.8 | 159.7 | -67.6 | -17.3 | 0 | 0 | 0 | 119.4 | ||||
| 1207 | G | 29.4 | Very low | 30.6 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 165.5 | 4.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1208 | I | 29.6 | Very low | 30.4 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | 66 | 130.4 | 167.1 | -62.9 | 174.8 | 0 | 0 | 0 | 118.3 | ||||
| 1209 | K | 29.8 | Very low | 30 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | 82.5 | 119.6 | 162.4 | -80 | 168 | -176.3 | 178.2 | 0 | 121 | ||||
| 1210 | N | 32.5 | Very low | 29.8 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 79.4 | 94.5 | 146.3 | -59 | 11.6 | 0 | 0 | 0 | 119.6 | ||||
| 1211 | H | 31.7 | Very low | 29.6 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | 47.3 | 141 | 136.1 | -58.6 | -61 | 0 | 0 | 0 | 121.6 | ||||
| 1212 | D | 32.8 | Very low | 29.4 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | cis | 167.8 | 157.5 | -19.1 | -107 | -55.2 | 0 | 0 | 0 | 105.1 | ||||
| 1213 | R | 30 | Very low | 29.3 | Very low | 210 Ų | 210 | 141.5 Ų | 141.5 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -162.4 | 149 | -17.1 | -145.4 | 173.6 | -172.5 | 92.3 | -6.3 | 104.9 | ||||
| 1214 | L | 27.1 | Very low | 29 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | cis | 87.3 | 146.9 | 28.2 | -74.8 | 171.7 | 0 | 0 | 0 | 117.2 | ||||
| 1215 | D | 26.5 | Very low | 28.9 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -134.4 | 178.8 | -153.5 | -177.9 | 63.3 | 0 | 0 | 0 | 109.8 | ||||
| 1216 | P | 40.8 | Very low | 28.9 | Very low | 87 Ų | 87 | 147.6 Ų | 147.6 | 57% | 0.565 | 77% | 0.771 | S | S | * | * | -103.8 | -159.1 | -54.8 | 35.1 | -22.1 | 0 | 0 | 0 | 111.9 | |||||
| 1217 | F | 24.1 | Very low | 28.8 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 87% | 0.873 | 77% | 0.768 | S | S | * | * | trans | 84 | 144.7 | 176.7 | -73.5 | -85.3 | 0 | 0 | 0 | 118.4 | ||||
| 1218 | A | 27.7 | Very low | 28.8 | Very low | 84 Ų | 84 | 154.4 Ų | 154.4 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 42.4 | 116.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 1219 | D | 25.1 | Very low | 28.8 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 38.6 | 107.3 | 148.4 | -58.7 | -14.5 | 0 | 0 | 0 | 118.7 | ||||
| 1220 | F | 26.2 | Very low | 28.8 | Very low | 201 Ų | 201 | 149 Ų | 149 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | -137.1 | 103 | 127.8 | -113.7 | -74.7 | 0 | 0 | 0 | 111.4 | |||||
| 1221 | A | 25.4 | Very low | 28.7 | Very low | 83 Ų | 83 | 151 Ų | 151 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | trans | -78.8 | 129.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1222 | D | 27.2 | Very low | 28.6 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 33.3 | 105.8 | 156 | -59.2 | -24.8 | 0 | 0 | 0 | 120.2 | ||||
| 1223 | V | 26.7 | Very low | 28.3 | Very low | 129 Ų | 129 | 150.6 Ų | 150.6 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | -129.4 | 96.1 | 129.7 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1224 | L | 25.5 | Very low | 28.2 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -128.6 | 84.1 | 155.7 | -119.8 | 177.2 | 0 | 0 | 0 | 110.4 | ||||
| 1225 | R | 27.9 | Very low | 28.3 | Very low | 216 Ų | 216 | 143 Ų | 143 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -152.9 | 148.4 | 160 | -87.4 | -159.9 | -175.8 | 127.4 | 3.1 | 108.5 | ||||
| 1226 | D | 29.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 142 Ų | 142 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | cis | -174.2 | 134.8 | -28.7 | -123.6 | -25 | 0 | 0 | 0 | 106.7 | ||||
| 1227 | R | 29.8 | Very low | 27.9 | Very low | 221 Ų | 221 | 145.2 Ų | 145.2 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 176.4 | 142.4 | 160.4 | -98 | 147.3 | -156.3 | -116.6 | 4.1 | 107 | ||||
| 1228 | L | 29.1 | Very low | 28.3 | Very low | 160 Ų | 160 | 140 Ų | 140 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | cis | -128.5 | 156.2 | 42.2 | -75.3 | 158.1 | 0 | 0 | 0 | 115.4 | ||||
| 1229 | N | 29.3 | Very low | 28.7 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -36.5 | 140.6 | 170.1 | -43.1 | -25.7 | 0 | 0 | 0 | 115.4 | ||||
| 1230 | S | 30.2 | Very low | 29.1 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | -179.6 | 131.8 | 114.2 | -173.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1231 | Q | 30.9 | Very low | 29.4 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | 56.8 | 116.7 | 159.9 | -66.4 | 161 | -0.9 | 0 | 0 | 117.8 | ||||
| 1232 | N | 28.5 | Very low | 29.9 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | 62.2 | 119.4 | 70.7 | -85 | 2.5 | 0 | 0 | 0 | 116.2 | |||||
| 1233 | C | 26.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 71.1 | 146.5 | 151.2 | -59.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1234 | S | 29.2 | Very low | 30.6 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -160.3 | 162.5 | -5.3 | 32.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1235 | S | 29 | Very low | 30.9 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -58.1 | 145.7 | 171.6 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1236 | T | 29.5 | Very low | 31.1 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -88.5 | 137.4 | 170 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1237 | N | 29.6 | Very low | 31.6 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 74.6 | 140.3 | 169 | -51.7 | -28.8 | 0 | 0 | 0 | 116.1 | ||||
| 1238 | A | 31.4 | Very low | 32.2 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | cis | -127.3 | 141.2 | 12.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1239 | T | 35.4 | Very low | 32.5 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | -9.1 | 137.7 | 148.1 | 53.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1240 | N | 34.2 | Very low | 32.8 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | cis | -155.8 | -176.9 | 7.3 | -86.7 | -8.1 | 0 | 0 | 0 | 108.4 | ||||
| 1241 | G | 33.6 | Very low | 33 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | cis | 102 | 138.4 | 11.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1242 | D | 34.7 | Very low | 33.2 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -167.8 | 155.8 | -4 | -158.7 | 19.8 | 0 | 0 | 0 | 112.2 | ||||
| 1243 | N | 35.1 | Very low | 33.6 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | 66.2 | 165.1 | 169.4 | -62.4 | -69.1 | 0 | 0 | 0 | 119.1 | ||||
| 1244 | T | 34 | Very low | 34 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | -161.2 | 176.2 | -8.8 | 12.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1245 | Y | 31.9 | Very low | 34.2 | Very low | 213 Ų | 213 | 126 Ų | 126 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | -47 | 126.3 | 168.6 | -75.7 | -104.9 | 0 | 0 | 0 | 114.9 | ||||
| 1246 | T | 31.7 | Very low | 34.3 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | 73.2 | 143.5 | 64.8 | 65.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1247 | P | 38.8 | Very low | 34.3 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | cis | -124.4 | -133.8 | -10.9 | 40.9 | -21 | 0 | 0 | 0 | 110.2 | ||||
| 1248 | P | 43.6 | Very low | 34.2 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | cis | -131.6 | -178.5 | -32.2 | 38.6 | -20.3 | 0 | 0 | 0 | 116.1 | ||||
| 1249 | S | 34.4 | Very low | 34.1 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | 35.2 | 137.1 | 148.7 | 59.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1250 | S | 37.1 | Very low | 33.8 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | cis | -167 | 162.8 | 1.3 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1251 | N | 34.4 | Very low | 33.7 | Very low | 140 Ų | 140 | 128 Ų | 128 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | 66.6 | 137 | 157.8 | -68.4 | -42.7 | 0 | 0 | 0 | 118.6 | ||||
| 1252 | R | 35.1 | Very low | 33.6 | Very low | 225 Ų | 225 | 129.9 Ų | 129.9 | 85% | 0.849 | 75% | 0.752 | S | S | * | * | cis | -153.3 | 149.8 | -3.7 | -104.2 | 172.3 | 179.5 | -177.7 | -2.2 | 106.6 | ||||
| 1253 | S | 36.1 | Very low | 33.5 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | cis | -168.5 | -166.3 | -19.8 | 55.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1254 | S | 34.7 | Very low | 33.4 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | cis | -172.8 | 150.5 | 3.6 | 15.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1255 | T | 33.8 | Very low | 33.7 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | cis | -163.5 | 148.7 | 2.6 | 9.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1256 | N | 31.6 | Very low | 33.8 | Very low | 105 Ų | 105 | 122.1 Ų | 122.1 | 56% | 0.561 | 76% | 0.76 | S | S | * | * | 29 | 155.1 | 120.8 | -53.4 | 23 | 0 | 0 | 0 | 120.8 | |||||
| 1257 | W | 28 | Very low | 33.8 | Very low | 233 Ų | 233 | 120.6 Ų | 120.6 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | cis | -175.7 | 168 | -19.7 | -88.8 | -24.8 | 0 | 0 | 0 | 106.9 | ||||
| 1258 | G | 29 | Very low | 33.7 | Very low | 76 Ų | 76 | 121.5 Ų | 121.5 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | cis | 124.1 | 90.7 | -5.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1259 | G | 28.4 | Very low | 33.2 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 172 | 125.5 | 171 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1260 | F | 30.2 | Very low | 33 | Very low | 199 Ų | 199 | 125.8 Ų | 125.8 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | trans | 38.7 | 112.8 | 149 | -64 | -78.3 | 0 | 0 | 0 | 124.9 | ||||
| 1261 | S | 31.6 | Very low | 32.5 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | 64.9 | 146.3 | 128.2 | 67.5 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1262 | A | 30.6 | Very low | 32.2 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | 77 | 140.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1263 | G | 33.7 | Very low | 32 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -113.4 | -160.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1264 | P | 33.7 | Very low | 31.9 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | cis | -123.2 | -177.4 | 9.7 | 40.8 | -26 | 0 | 0 | 0 | 114.8 | ||||
| 1265 | S | 39.7 | Very low | 31.6 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -72 | 155 | -179.1 | -41.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1266 | P | 33.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | -150.1 | -174.1 | 90 | 41.5 | -25 | 0 | 0 | 0 | 116.3 | |||||
| 1267 | A | 31.5 | Very low | 31.3 | Very low | 83 Ų | 83 | 129.9 Ų | 129.9 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | trans | 98.1 | 118.9 | 158 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1268 | H | 38.1 | Very low | 31.3 | Very low | 139 Ų | 139 | 127 Ų | 127 | 64% | 0.644 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 50.7 | 111.4 | 160.8 | -63.8 | -77.9 | 0 | 0 | 0 | 119.5 | F1270 | H1268-F1270 AromaticContact CE1-CE2 3.97Š|
| 1269 | H | 31.2 | Very low | 31.5 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | S | Bend | cis | -148.1 | 140.7 | 0.5 | -89.8 | -92.1 | 0 | 0 | 0 | 110.8 | ||
| 1270 | F | 30 | Very low | 31.5 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 59% | 0.592 | 76% | 0.758 | S | S | * | * | cis | -158.3 | 102.6 | -21.7 | -147.9 | -87 | 0 | 0 | 0 | 112.4 | H1268 | H1268-F1270 AromaticContact CE1-CE2 3.97Š| ||
| 1271 | K | 27.7 | Very low | 31.5 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | 60.8 | 161.3 | 157.8 | -78.4 | -166.7 | 172.6 | -171.9 | 0 | 122.3 | ||||
| 1272 | S | 28.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | -110.9 | -172.1 | -179 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1273 | S | 31.4 | Very low | 31.4 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -73.1 | 177.8 | -176 | -163 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1274 | V | 33.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | 92.5 | 95.5 | 163.9 | -165.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1275 | D | 29 | Very low | 31.3 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | trans | 39.3 | 120.7 | 131.5 | -67.4 | -61.8 | 0 | 0 | 0 | 125.1 | ||||
| 1276 | S | 28.3 | Very low | 30.9 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | 110.7 | 134.3 | 118.4 | 77.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1277 | K | 29.2 | Very low | 30.8 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | trans | 83.8 | 119.8 | 145.1 | -80.6 | -168.7 | 175.3 | -176 | 0 | 123.2 | ||||
| 1278 | F | 29.2 | Very low | 30.8 | Very low | 172 Ų | 172 | 133 Ų | 133 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | 69.2 | 149.3 | 148.3 | -76.8 | -115.5 | 0 | 0 | 0 | 119.3 | ||||
| 1279 | M | 31.9 | Very low | 30.4 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | cis | -176.6 | 140.3 | -35.8 | -121.7 | -178.2 | 85.5 | 0 | 0 | 109.5 | ||||
| 1280 | N | 29.1 | Very low | 30.4 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | trans | 52.4 | 170.3 | 152.9 | -74.9 | 42.9 | 0 | 0 | 0 | 118.9 | ||||
| 1281 | D | 29.3 | Very low | 30.3 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | cis | -158.1 | 171.5 | -4.8 | -124 | -39.3 | 0 | 0 | 0 | 107.6 | ||||
| 1282 | S | 30 | Very low | 30.2 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | cis | -161.4 | 178.6 | -6.3 | -149.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1283 | S | 30.9 | Very low | 30.2 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | trans | 70.3 | 152.2 | 163.7 | 85.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1284 | N | 31.1 | Very low | 30 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | cis | -158.4 | 174.8 | 4.7 | -139.6 | -8.2 | 0 | 0 | 0 | 107.7 | ||||
| 1285 | H | 34.1 | Very low | 29.6 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 62% | 0.616 | 69% | 0.691 | S | S | * | * | cis | -162.5 | 159.6 | 7 | -164.6 | 38.3 | 0 | 0 | 0 | 109.8 | ||||
| 1286 | K | 31.7 | Very low | 29.5 | Very low | 144 Ų | 144 | 132 Ų | 132 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | trans | 65.9 | 147.4 | 170.4 | -56.8 | -170.7 | 158.4 | -74.5 | 0 | 117.5 | ||||
| 1287 | E | 30.9 | Very low | 29.5 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 64% | 0.64 | 69% | 0.689 | S | S | * | * | cis | -173.7 | 156.8 | -21.2 | -109.2 | 146.6 | -159.8 | 0 | 0 | 106.2 | ||||
| 1288 | S | 32 | Very low | 29.4 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | cis | -174.6 | 168.2 | -26.3 | 55.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1289 | S | 30.2 | Very low | 29.3 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | trans | 61.6 | 148.2 | 152.7 | 49.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 1290 | D | 30 | Very low | 29.1 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | cis | -166.2 | 161.9 | -4.9 | -114.5 | 9.1 | 0 | 0 | 0 | 112.1 | ||||
| 1291 | N | 29.5 | Very low | 29.2 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 64% | 0.642 | 69% | 0.691 | S | S | * | * | trans | 43.8 | 128.2 | 139 | -66.4 | -45.1 | 0 | 0 | 0 | 124.5 | ||||
| 1292 | L | 25 | Very low | 29.1 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | trans | 73.3 | 150.5 | 130.4 | -92 | 64 | 0 | 0 | 0 | 123.8 | ||||
| 1293 | F | 27.4 | Very low | 29.2 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | trans | 82.7 | 122.3 | 143.9 | -99.9 | -124.6 | 0 | 0 | 0 | 123.1 | ||||
| 1294 | H | 27.2 | Very low | 29.1 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 75% | 0.745 | 69% | 0.687 | S | S | * | * | 33.1 | 109.8 | 128.3 | -80.5 | 82.2 | 0 | 0 | 0 | 120.3 | |||||
| 1295 | G | 25.7 | Very low | 28.9 | Very low | 61 Ų | 61 | 128.5 Ų | 128.5 | 63% | 0.629 | 68% | 0.684 | S | S | * | * | 81.5 | 150 | 106.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1296 | Y | 27.9 | Very low | 28.7 | Very low | 215 Ų | 215 | 132.9 Ų | 132.9 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | trans | 64.3 | 143.9 | 170.9 | -59.1 | -88.6 | 0 | 0 | 0 | 115.2 | ||||
| 1297 | E | 27 | Very low | 28.7 | Very low | 131 Ų | 131 | 130 Ų | 130 | 61% | 0.612 | 69% | 0.694 | S | S | * | * | cis | -154.3 | -166 | -19.2 | -139.6 | -172.2 | 145.7 | 0 | 0 | 109.8 | ||||
| 1298 | K | 26.8 | Very low | 28.9 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | trans | -18.6 | 151 | 144.7 | -67.6 | 169.6 | -164.2 | 145.3 | 0 | 115.9 | ||||
| 1299 | S | 28.4 | Very low | 28.8 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | cis | 179.3 | 152.9 | -3.1 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1300 | S | 27 | Very low | 29.4 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | trans | 71.5 | 159.8 | 137.2 | 74.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1301 | Q | 30.3 | Very low | 29.6 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | trans | 74.4 | 142.7 | 164.7 | -59.8 | -176 | 17.5 | 0 | 0 | 117.7 | ||||
| 1302 | S | 28.4 | Very low | 29.8 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 59% | 0.587 | 72% | 0.719 | S | S | * | * | cis | -169.8 | 169.4 | -21.1 | 58 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1303 | H | 32.8 | Very low | 30.3 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | 63.2 | 117 | 157.9 | -73.6 | -65.6 | 0 | 0 | 0 | 118.1 | ||||
| 1304 | S | 28 | Very low | 30.7 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | 66.4 | 136.8 | 71.2 | 83.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1305 | S | 27.3 | Very low | 31 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | cis | -171.3 | -172.8 | -0 | -99.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1306 | Y | 30.2 | Very low | 31.4 | Very low | 225 Ų | 225 | 134.2 Ų | 134.2 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | trans | 74.4 | 150.7 | 164.3 | -60 | -78 | 0 | 0 | 0 | 116.4 | ||||
| 1307 | S | 31.7 | Very low | 31.6 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | cis | -172 | 174.4 | -12.7 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1308 | N | 33.5 | Very low | 31.9 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | 102.4 | 107.9 | 148.6 | -60.6 | -27.8 | 0 | 0 | 0 | 121.5 | ||||
| 1309 | F | 30 | Very low | 32.2 | Very low | 197 Ų | 197 | 124 Ų | 124 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | -64.9 | 166.2 | 147.2 | -97.5 | -85.8 | 0 | 0 | 0 | 111.5 | ||||
| 1310 | P | 43.7 | Very low | 32.3 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | -160.7 | 162.9 | 78.3 | 42.5 | -20.7 | 0 | 0 | 0 | 121.3 | |||||
| 1311 | N | 34.2 | Very low | 32.7 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | 62.1 | 143.7 | 146.8 | -61.2 | -8.5 | 0 | 0 | 0 | 122.1 | ||||
| 1312 | T | 34 | Very low | 33.3 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | cis | -149.5 | -129.8 | -17.3 | 23.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1313 | T | 34.5 | Very low | 33.6 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | cis | -168.9 | 159.8 | -1.8 | -20.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1314 | T | 36.1 | Very low | 33.5 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 59.4 | 148.3 | 155.8 | 51.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1315 | T | 34.6 | Very low | 33.6 | Very low | 120 Ų | 120 | 124 Ų | 124 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | cis | -161.6 | 172.7 | -33.5 | -33.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1316 | T | 33.7 | Very low | 33.7 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -33 | 166.9 | 168.5 | 52.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1317 | G | 31.3 | Very low | 33.9 | Very low | 60 Ų | 60 | 119.6 Ų | 119.6 | 62% | 0.619 | 76% | 0.756 | S | S | * | * | cis | 144.9 | 162.3 | 1.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1318 | S | 33.1 | Very low | 33.8 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | 68 | 163.9 | 174.8 | 15.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1319 | T | 33 | Very low | 33.8 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | cis | -169.8 | 139.1 | -13.3 | 30.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1320 | S | 30.9 | Very low | 33.7 | Very low | 100 Ų | 100 | 119.3 Ų | 119.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | 74.2 | 147.4 | 58.8 | 76.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1321 | I | 34.6 | Very low | 33.3 | Very low | 157 Ų | 157 | 119.3 Ų | 119.3 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | cis | -137 | -68.2 | 25.6 | -45.5 | 165.5 | 0 | 0 | 0 | 117.9 | ||||
| 1322 | P | 44.3 | Very low | 33 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -127.1 | -175.1 | -147.4 | 37 | -15.7 | 0 | 0 | 0 | 116.1 | ||||
| 1323 | N | 33.5 | Very low | 33 | Very low | 147 Ų | 147 | 122.7 Ų | 122.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | cis | -149 | 148.4 | 7.4 | -157.3 | 9.3 | 0 | 0 | 0 | 115.5 | ||||
| 1324 | S | 30.8 | Very low | 32.9 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 46 | 124.7 | 156.5 | 63.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1325 | G | 30.6 | Very low | 32.7 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -176.3 | 10.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1326 | G | 28.6 | Very low | 32.6 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 80 | 135.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1327 | T | 34.6 | Very low | 32.6 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 96% | 0.963 | 79% | 0.786 | S | S | * | * | trans | 72.1 | 139.8 | 163.3 | 74 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1328 | G | 29.3 | Very low | 32.7 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 125.3 | 105 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1329 | A | 35 | Very low | 32.7 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 93% | 0.934 | 79% | 0.789 | S | S | * | * | trans | 71.9 | 171.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1330 | R | 26.9 | Very low | 32.9 | Very low | 238 Ų | 238 | 132.4 Ų | 132.4 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -100.6 | -178.4 | -168.4 | -72.2 | 176.6 | 174.3 | 172.6 | -2.9 | 111.6 | ||||
| 1331 | P | 34.9 | Very low | 33.2 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | cis | -136.2 | 157.5 | -43.1 | 35.6 | -20 | 0 | 0 | 0 | 113.9 | ||||
| 1332 | H | 28.6 | Very low | 33 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | 174.7 | 141.7 | 132.6 | -109.7 | -87.3 | 0 | 0 | 0 | 109.5 | ||||
| 1333 | V | 33.7 | Very low | 32.2 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -138 | 134 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1334 | N | 32.4 | Very low | 32.1 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -83.5 | 157.4 | -178.8 | -168.1 | 27.2 | 0 | 0 | 0 | 111.9 | D1336 | N1334-D1336 PolarHBondContact ND2-OD2 2.87Š| ||
| 1335 | K | 32.9 | Very low | 32.1 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | -100.7 | 85.5 | 179.1 | -81.6 | -171.2 | 174.5 | -178.2 | 0 | 112.4 | ||||
| 1336 | D | 31.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -132.5 | 72.3 | 166 | -76.7 | -63.2 | 0 | 0 | 0 | 109.8 | N1334 | N1334-D1336 PolarHBondContact ND2-OD2 2.87Š| ||
| 1337 | A | 34.5 | Very low | 32.3 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -149.6 | 36.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1338 | F | 33.7 | Very low | 32.3 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | -149.6 | 37.4 | 164.9 | -149.1 | -96 | 0 | 0 | 0 | 112.3 | ||||
| 1339 | S | 33 | Very low | 32.4 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -95.2 | 4.7 | 178.8 | 41.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1340 | D | 36.5 | Very low | 32.3 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -108.9 | 13.2 | -162.6 | -146.4 | 23.3 | 0 | 0 | 0 | 114.2 | ||
| 1341 | L | 36.6 | Very low | 32.4 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -127.6 | 133.1 | 164.6 | -94.6 | 91.1 | 0 | 0 | 0 | 110.3 | ||
| 1342 | L | 31.1 | Very low | 32.3 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 73.2 | 39.4 | 176.4 | -50.7 | 179 | 0 | 0 | 0 | 116.9 | ||
| 1343 | G | 27.3 | Very low | 32.3 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -132.2 | 88.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1344 | G | 31.7 | Very low | 32.2 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -177.1 | 72.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1345 | F | 31.6 | Very low | 32.3 | Very low | 228 Ų | 228 | 136 Ų | 136 | 100% | 1 | 78% | 0.782 | S | S | * | * | 174.8 | 130.9 | 127 | -98.7 | -65.9 | 0 | 0 | 0 | 109.1 | |||||
| 1346 | G | 29 | Very low | 32.4 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -159.8 | 154.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1347 | S | 32.8 | Very low | 32.8 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -177.6 | 146.1 | 171.5 | -80.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1348 | S | 36.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | cis | -151.6 | 164.5 | -4.6 | -101.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1349 | R | 29.7 | Very low | 33.9 | Very low | 203 Ų | 203 | 135.5 Ų | 135.5 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -85.6 | 141.1 | 178.3 | -63.5 | 160.8 | 67.1 | 167.4 | 5.2 | 111.3 | N1351 | R1349-N1351 PolarHBondContact NE-OD1 2.96Å; R1349-N1351 VanDerWaalsContact NE-OD1 3.13Å; R1349-N1351 PolarHBondContact NH2-OD1 2.91Å | ||
| 1350 | T | 34.2 | Very low | 34.5 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -124.3 | 145.9 | 131.4 | 48.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1351 | N | 29.4 | Very low | 35.7 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 57% | 0.567 | 75% | 0.746 | S | S | * | * | trans | -103.3 | 155.3 | -170.7 | -38.8 | -78.8 | 0 | 0 | 0 | 110.5 | R1349 | R1349-N1351 PolarHBondContact NE-OD1 2.96Å; R1349-N1351 VanDerWaalsContact NE-OD1 3.13Å; R1349-N1351 PolarHBondContact NH2-OD1 2.91Å | ||
| 1352 | N | 31.5 | Very low | 36.5 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | -138.4 | 156 | 125.3 | -115.5 | -11.1 | 0 | 0 | 0 | 109.6 | |||||
| 1353 | T | 29.8 | Very low | 37.3 | Very low | 117 Ų | 117 | 125 Ų | 125 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | trans | -96.7 | 125.2 | -162.8 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1354 | D | 30.5 | Very low | 39.1 | Very low | 158 Ų | 158 | 125.4 Ų | 125.4 | 85% | 0.845 | 70% | 0.702 | S | S | * | * | trans | -178.2 | 93.9 | 132.7 | -94.4 | -18.6 | 0 | 0 | 0 | 110.4 | ||||
| 1355 | D | 35.9 | Very low | 40.7 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 59% | 0.594 | 69% | 0.688 | S | S | * | * | trans | -168.5 | 120 | 142.4 | -124.4 | -20.6 | 0 | 0 | 0 | 113.2 | K1357 | D1355-K1357 HydrophobicContact CB-CB 4.43Å; D1355-K1357 HydrophobicContact CB-CG 4.32Å; D1355-K1357 PolarHBondContact O-N 3.35Å; D1355-K1357 VanDerWaalsContact O-N 3.09Å; D1355-K1357 IonicContact OD1-NZ 2.9Å; D1355-K1357 PolarHBondContact OD1-NZ 3.04Å; D1355-K1357 VanDerWaalsContact OD2-CD 3.3Å; D1355-K1357 WeakPolarHBondContact OD2-CD 3.32Å; D1355-K1357 IonicContact OD2-NZ 3.05Å; D1355-K1357 PolarHBondContact OD2-NZ 2.97Å | ||
| 1356 | N | 33.7 | Very low | 41.9 | Very low | 180 Ų | 180 | 122.7 Ų | 122.7 | 96% | 0.963 | 67% | 0.669 | S | S | * | * | trans | -83.8 | 68.7 | 164.9 | -117.2 | -15.6 | 0 | 0 | 0 | 108.7 | ||||
| 1357 | K | 40.2 | Very low | 43.4 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 50% | 0.496 | 66% | 0.658 | S | S | . | * | trans | -122.9 | 117.9 | 176.5 | -69.2 | -167.7 | -178.3 | 78.2 | 0 | 111.1 | D1355 | D1355-K1357 HydrophobicContact CB-CB 4.43Å; D1355-K1357 HydrophobicContact CB-CG 4.32Å; D1355-K1357 PolarHBondContact O-N 3.35Å; D1355-K1357 VanDerWaalsContact O-N 3.09Å; D1355-K1357 IonicContact OD1-NZ 2.9Å; D1355-K1357 PolarHBondContact OD1-NZ 3.04Å; D1355-K1357 VanDerWaalsContact OD2-CD 3.3Å; D1355-K1357 WeakPolarHBondContact OD2-CD 3.32Å; D1355-K1357 IonicContact OD2-NZ 3.05Å; D1355-K1357 PolarHBondContact OD2-NZ 2.97Å | ||
| 1358 | Q | 43.7 | Very low | 44.9 | Very low | 176 Ų | 176 | 123.5 Ų | 123.5 | 82% | 0.822 | 64% | 0.636 | S | S | * | * | trans | -55.8 | 155.1 | 164.9 | -72.4 | 178.4 | -17.4 | 0 | 0 | 110.5 | K1360 | Q1358-K1360 PolarHBondContact O-N 3.18Š| ||
| 1359 | P | 46.9 | Very low | 46.1 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | trans | -57.6 | 111.9 | 175.8 | 24.2 | -34.1 | 0 | 0 | 0 | 110 | T1361 | P1359-T1361 PolarHBondContact O-N 3.42Š| ||
| 1360 | K | 46 | Very low | 47.4 | Very low | 65 Ų | 65 | 118.2 Ų | 118.2 | 28% | 0.283 | 61% | 0.606 | S | S | . | * | trans | -59.6 | 130.6 | -174 | -57 | -174.2 | -163.1 | -172.5 | 0 | 110 | Q1358 Q1364 I1365 E1368 | Q1358-K1360 PolarHBondContact O-N 3.18Å; K1360-Q1364 HydrophobicContact CB-CB 4.15Å; K1360-Q1364 HydrophobicContact CB-CG 4.1Å; K1360-Q1364 HydrophobicContact CD-CG 4.42Å; K1360-Q1364 HydrophobicContact CG-CG 4.39Å; K1360-I1365 HydrophobicContact CB-CD1 4.35Å; K1360-I1365 HydrophobicContact CB-CG1 3.77Å; K1360-I1365 WeakPolarHBondContact O-CD1 3.48Å; K1360-E1368 WeakPolarHBondContact CD-OE2 3.4Å; K1360-E1368 WeakPolarHBondContact CE-OE1 3.48Å; K1360-E1368 IonicContact NZ-OE1 2.61Å; K1360-E1368 PolarHBondContact NZ-OE1 3.11Å; K1360-E1368 IonicContact NZ-OE2 2.68Å; K1360-E1368 PolarHBondContact NZ-OE2 2.9Å | ||
| 1361 | T | 62.4 | Low | 48.7 | Very low | 88 Ų | 88 | 113.7 Ų | 113.7 | 54% | 0.54 | 58% | 0.583 | S | S | . | * | trans | -63.3 | 160.1 | 177.5 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | P1359 N1363 Q1364 I1365 | P1359-T1361 PolarHBondContact O-N 3.42Å; T1361-N1363 PolarHBondContact O-N 3.16Å; T1361-Q1364 WeakPolarHBondContact O-CA 3.27Å; T1361-Q1364 WeakPolarHBondContact O-CB 3.49Å; T1361-Q1364 PolarHBondContact O-N 2.76Å; T1361-Q1364 WeakPolarHBondContact OG1-CB 3.41Å; T1361-Q1364 PolarHBondContact OG1-N 3.02Å; T1361-I1365 PolarHBondContact O-N 2.78Å | ||
| 1362 | V | 53.8 | Low | 50.2 | Low | 110 Ų | 110 | 117 Ų | 117 | 67% | 0.667 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56.1 | -38.8 | 179.4 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | I1365 R1366 | V1362-I1365 PolarHBondContact O-N 3.13Å; V1362-R1366 WeakPolarHBondContact O-CB 3.43Å; V1362-R1366 PolarHBondContact O-N 3.44Å |
| 1363 | N | 47.9 | Very low | 51.6 | Low | 86 Ų | 86 | 114.9 Ų | 114.9 | 46% | 0.46 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.3 | -41.9 | 174.3 | -65.5 | 39.5 | 0 | 0 | 0 | 111.5 | T1361 I1365 R1366 R1367 E1386 | T1361-N1363 PolarHBondContact O-N 3.16Å; N1363-I1365 VanDerWaalsContact C-N 3.34Å; N1363-I1365 PolarHBondContact O-N 2.95Å; N1363-R1366 CarbonylContact O-C 3.46Å; N1363-R1366 WeakPolarHBondContact O-CA 3.31Å; N1363-R1366 WeakPolarHBondContact O-CB 3.49Å; N1363-R1366 PolarHBondContact O-N 2.88Å; N1363-R1367 WeakPolarHBondContact O-CB 3.42Å; N1363-R1367 PolarHBondContact O-N 2.96Å; N1363-E1386 PolarHBondContact ND2-OE1 3.03Å |
| 1364 | Q | 65 | Low | 53.4 | Low | 86 Ų | 86 | 112.3 Ų | 112.3 | 40% | 0.402 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.6 | -37 | 176.2 | -169.6 | 175.7 | 16.3 | 0 | 0 | 112.7 | K1360 T1361 R1366 R1367 E1368 | K1360-Q1364 HydrophobicContact CB-CB 4.15Å; K1360-Q1364 HydrophobicContact CB-CG 4.1Å; K1360-Q1364 HydrophobicContact CD-CG 4.42Å; K1360-Q1364 HydrophobicContact CG-CG 4.39Å; T1361-Q1364 WeakPolarHBondContact O-CA 3.27Å; T1361-Q1364 WeakPolarHBondContact O-CB 3.49Å; T1361-Q1364 PolarHBondContact O-N 2.76Å; T1361-Q1364 WeakPolarHBondContact OG1-CB 3.41Å; T1361-Q1364 PolarHBondContact OG1-N 3.02Å; Q1364-R1366 VanDerWaalsContact C-N 3.32Å; Q1364-R1367 PolarHBondContact O-N 3.47Å; Q1364-E1368 WeakPolarHBondContact O-CB 3.36Å; Q1364-E1368 WeakPolarHBondContact O-CG 3.48Å; Q1364-E1368 PolarHBondContact O-N 2.91Å |
| 1365 | I | 65.4 | Low | 55.5 | Low | 78 Ų | 78 | 107.4 Ų | 107.4 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.1 | -32.6 | 172.6 | -63.8 | 172.5 | 0 | 0 | 0 | 111.4 | K1360 T1361 V1362 N1363 K1369 | K1360-I1365 HydrophobicContact CB-CD1 4.35Å; K1360-I1365 HydrophobicContact CB-CG1 3.77Å; K1360-I1365 WeakPolarHBondContact O-CD1 3.48Å; T1361-I1365 PolarHBondContact O-N 2.78Å; V1362-I1365 PolarHBondContact O-N 3.13Å; N1363-I1365 VanDerWaalsContact C-N 3.34Å; N1363-I1365 PolarHBondContact O-N 2.95Å; I1365-K1369 WeakPolarHBondContact O-CG 3.48Å; I1365-K1369 PolarHBondContact O-N 3.17Å |
| 1366 | R | 56.1 | Low | 57.6 | Low | 162 Ų | 162 | 106.9 Ų | 106.9 | 61% | 0.611 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.6 | -47.3 | 174.7 | -151.7 | 177.9 | -161.9 | 125.8 | 0.5 | 111 | V1362 N1363 Q1364 K1369 M1370 | V1362-R1366 WeakPolarHBondContact O-CB 3.43Å; V1362-R1366 PolarHBondContact O-N 3.44Å; N1363-R1366 CarbonylContact O-C 3.46Å; N1363-R1366 WeakPolarHBondContact O-CA 3.31Å; N1363-R1366 WeakPolarHBondContact O-CB 3.49Å; N1363-R1366 PolarHBondContact O-N 2.88Å; Q1364-R1366 VanDerWaalsContact C-N 3.32Å; R1366-K1369 WeakPolarHBondContact O-CB 3.46Å; R1366-K1369 PolarHBondContact O-N 2.72Å; R1366-M1370 HydrophobicContact CG-SD 4.08Å; R1366-M1370 PolarHBondContact O-N 2.82Å |
| 1367 | R | 59.2 | Low | 60 | Low | 128 Ų | 128 | 100.9 Ų | 100.9 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 176.5 | -161.8 | 172.2 | -179.5 | -153.9 | -3.3 | 111.6 | N1363 Q1364 K1369 M1370 A1371 D1383 | N1363-R1367 WeakPolarHBondContact O-CB 3.42Å; N1363-R1367 PolarHBondContact O-N 2.96Å; Q1364-R1367 PolarHBondContact O-N 3.47Å; R1367-K1369 PolarHBondContact O-N 2.69Å; R1367-M1370 PolarHBondContact O-N 3.13Å; R1367-A1371 WeakPolarHBondContact O-CB 3.49Å; R1367-A1371 PolarHBondContact O-N 2.9Å; R1367-D1383 IonicContact CZ-OD1 2.65Å; R1367-D1383 IonicContact CZ-OD2 3.09Å; R1367-D1383 VanDerWaalsContact NE-CG 3.34Å; R1367-D1383 IonicContact NE-OD1 3.82Å; R1367-D1383 PolarHBondContact NE-OD1 2.86Å; R1367-D1383 IonicContact NE-OD2 2.66Å; R1367-D1383 PolarHBondContact NE-OD2 2.91Å; R1367-D1383 IonicContact NH2-OD1 3.78Å; R1367-D1383 PolarHBondContact NH2-OD1 2.83Å; R1367-D1383 IonicContact NH2-OD2 2.74Å; R1367-D1383 PolarHBondContact NH2-OD2 2.86Å |
| 1368 | E | 65.2 | Low | 61.9 | Low | 76 Ų | 76 | 99.7 Ų | 99.7 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.5 | -15.1 | 174.5 | -77.3 | -171.8 | 173.5 | 0 | 0 | 115.3 | K1360 Q1364 K1372 | K1360-E1368 WeakPolarHBondContact CD-OE2 3.4Å; K1360-E1368 WeakPolarHBondContact CE-OE1 3.48Å; K1360-E1368 IonicContact NZ-OE1 2.61Å; K1360-E1368 PolarHBondContact NZ-OE1 3.11Å; K1360-E1368 IonicContact NZ-OE2 2.68Å; K1360-E1368 PolarHBondContact NZ-OE2 2.9Å; Q1364-E1368 WeakPolarHBondContact O-CB 3.36Å; Q1364-E1368 WeakPolarHBondContact O-CG 3.48Å; Q1364-E1368 PolarHBondContact O-N 2.91Å; E1368-K1372 WeakPolarHBondContact O-CD 3.49Å; E1368-K1372 WeakPolarHBondContact O-CE 3.47Å; E1368-K1372 WeakPolarHBondContact O-CG 3.39Å |
| 1369 | K | 62.6 | Low | 63.7 | Low | 151 Ų | 151 | 92.7 Ų | 92.7 | 66% | 0.657 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -88.7 | -42.5 | 170.3 | -74.3 | 179.3 | 177.8 | -174.9 | 0 | 111.3 | I1365 R1366 R1367 K1372 | I1365-K1369 WeakPolarHBondContact O-CG 3.48Å; I1365-K1369 PolarHBondContact O-N 3.17Å; R1366-K1369 WeakPolarHBondContact O-CB 3.46Å; R1366-K1369 PolarHBondContact O-N 2.72Å; R1367-K1369 PolarHBondContact O-N 2.69Å; K1369-K1372 PolarHBondContact O-N 3.35Å |
| 1370 | M | 55.8 | Low | 65.7 | Low | 56 Ų | 56 | 91 Ų | 91 | 28% | 0.276 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 176.4 | -79.8 | 161 | 149.8 | 0 | 0 | 112.3 | R1366 R1367 K1372 T1373 I1374 F1382 | R1366-M1370 HydrophobicContact CG-SD 4.08Å; R1366-M1370 PolarHBondContact O-N 2.82Å; R1367-M1370 PolarHBondContact O-N 3.13Å; M1370-K1372 PolarHBondContact O-N 2.92Å; M1370-T1373 PolarHBondContact O-N 3.13Å; M1370-T1373 PolarHBondContact O-OG1 2.91Å; M1370-I1374 HydrophobicContact CB-CD1 3.95Å; M1370-I1374 HydrophobicContact CG-CD1 4Å; M1370-I1374 WeakPolarHBondContact O-CB 3.38Å; M1370-I1374 WeakPolarHBondContact O-CG1 3.25Å; M1370-I1374 PolarHBondContact O-N 3.12Å; M1370-F1382 HydrophobicContact CE-CZ 4.4Å; M1370-F1382 HydrophobicContact SD-CE1 4.49Å; M1370-F1382 HydrophobicContact SD-CZ 4.44Å |
| 1371 | A | 61.4 | Low | 67.9 | Low | 50 Ų | 50 | 88.3 Ų | 88.3 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 1.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1367 L1379 | R1367-A1371 WeakPolarHBondContact O-CB 3.49Å; R1367-A1371 PolarHBondContact O-N 2.9Å; A1371-L1379 HydrophobicContact CB-CD1 4.4Å; A1371-L1379 HydrophobicContact CB-CD2 3.55Å |
| 1372 | K | 61.6 | Low | 68.9 | Low | 176 Ų | 176 | 88.5 Ų | 88.5 | 77% | 0.765 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -5 | 173.3 | -65.7 | -178.6 | -178.6 | -173.5 | 0 | 113.4 | E1368 K1369 M1370 | E1368-K1372 WeakPolarHBondContact O-CD 3.49Å; E1368-K1372 WeakPolarHBondContact O-CE 3.47Å; E1368-K1372 WeakPolarHBondContact O-CG 3.39Å; K1369-K1372 PolarHBondContact O-N 3.35Å; M1370-K1372 PolarHBondContact O-N 2.92Å |
| 1373 | T | 60.4 | Low | 70.5 | Confident | 120 Ų | 120 | 85.6 Ų | 85.6 | 74% | 0.736 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.1 | -3.8 | -172.1 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | M1370 | M1370-T1373 PolarHBondContact O-N 3.13Å; M1370-T1373 PolarHBondContact O-OG1 2.91Å |
| 1374 | I | 67 | Low | 72.6 | Confident | 63 Ų | 63 | 82.2 Ų | 82.2 | 32% | 0.323 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -121.1 | 141.8 | -175.6 | -63.9 | -176.5 | 0 | 0 | 0 | 108.6 | M1370 Q1378 | M1370-I1374 HydrophobicContact CB-CD1 3.95Å; M1370-I1374 HydrophobicContact CG-CD1 4Å; M1370-I1374 WeakPolarHBondContact O-CB 3.38Å; M1370-I1374 WeakPolarHBondContact O-CG1 3.25Å; M1370-I1374 PolarHBondContact O-N 3.12Å; I1374-Q1378 HydrophobicContact CG2-CB 3.57Å |
| 1375 | D | 76.4 | Confident | 73.9 | Confident | 54 Ų | 54 | 78.3 Ų | 78.3 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | trans | -55.2 | 137 | 176.8 | 157.5 | 51 | 0 | 0 | 0 | 111.6 | E1377 Q1378 L1379 N1446 | D1375-E1377 PolarHBondContact O-N 2.86Å; D1375-E1377 PolarHBondContact OD1-N 2.8Å; D1375-E1377 WeakPolarHBondContact OD2-CB 3.32Å; D1375-E1377 PolarHBondContact OD2-N 3.42Å; D1375-Q1378 HydrophobicContact CB-CB 4.15Å; D1375-Q1378 HydrophobicContact CB-CG 4.06Å; D1375-Q1378 WeakPolarHBondContact O-CB 3.23Å; D1375-Q1378 PolarHBondContact O-N 3.49Å; D1375-Q1378 WeakPolarHBondContact OD2-CG 3.29Å; D1375-Q1378 PolarHBondContact OD2-N 3.13Å; D1375-L1379 PolarHBondContact O-N 3Å; D1375-N1446 PolarHBondContact OD2-ND2 2.96Å | ||
| 1376 | P | 79.6 | Confident | 74.8 | Confident | 101 Ų | 101 | 78.7 Ų | 78.7 | 66% | 0.656 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -54 | -31.8 | 176.9 | 19.4 | -33.8 | 0 | 0 | 0 | 114.9 | K1380 | P1376-K1380 WeakPolarHBondContact O-CB 3.47Å; P1376-K1380 PolarHBondContact O-N 2.88Å |
| 1377 | E | 82.9 | Confident | 76 | Confident | 53 Ų | 53 | 74.5 Ų | 74.5 | 25% | 0.248 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -74.7 | -43.3 | 175.7 | -56.3 | -157.5 | 129.8 | 0 | 0 | 112.1 | D1375 L1379 K1380 V1381 N1446 I1447 L1450 | D1375-E1377 PolarHBondContact O-N 2.86Å; D1375-E1377 PolarHBondContact OD1-N 2.8Å; D1375-E1377 WeakPolarHBondContact OD2-CB 3.32Å; D1375-E1377 PolarHBondContact OD2-N 3.42Å; E1377-L1379 VanDerWaalsContact C-N 3.28Å; E1377-L1379 PolarHBondContact O-N 3.37Å; E1377-K1380 WeakPolarHBondContact O-CB 3.4Å; E1377-K1380 PolarHBondContact O-N 3.18Å; E1377-K1380 VanDerWaalsContact O-N 3.13Å; E1377-V1381 WeakPolarHBondContact O-CG2 3.47Å; E1377-V1381 PolarHBondContact O-N 3.03Å; E1377-N1446 VanDerWaalsContact OE2-CB 3.3Å; E1377-N1446 WeakPolarHBondContact OE2-CB 3.37Å; E1377-N1446 PolarHBondContact OE2-ND2 3.41Å; E1377-I1447 HydrophobicContact CB-CB 4.42Å; E1377-I1447 PolarHBondContact OE2-N 2.8Å; E1377-L1450 HydrophobicContact CB-CD1 4.2Å |
| 1378 | Q | 81.4 | Confident | 77.4 | Confident | 89 Ų | 89 | 70.8 Ų | 70.8 | 42% | 0.416 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.9 | -43.1 | 169.9 | -71.3 | 177.9 | 9.3 | 0 | 0 | 112.1 | I1374 D1375 V1381 F1382 L1450 | I1374-Q1378 HydrophobicContact CG2-CB 3.57Å; D1375-Q1378 HydrophobicContact CB-CB 4.15Å; D1375-Q1378 HydrophobicContact CB-CG 4.06Å; D1375-Q1378 WeakPolarHBondContact O-CB 3.23Å; D1375-Q1378 PolarHBondContact O-N 3.49Å; D1375-Q1378 WeakPolarHBondContact OD2-CG 3.29Å; D1375-Q1378 PolarHBondContact OD2-N 3.13Å; Q1378-V1381 PolarHBondContact O-N 3.42Å; Q1378-F1382 WeakPolarHBondContact O-CB 3.46Å; Q1378-F1382 PolarHBondContact O-N 3.25Å; Q1378-L1450 HydrophobicContact CB-CD1 4.43Å; Q1378-L1450 HydrophobicContact CG-CD1 3.72Å; Q1378-L1450 HydrophobicContact CG-CD2 3.89Å; Q1378-L1450 HydrophobicContact CG-CG 4.48Å |
| 1379 | L | 81.6 | Confident | 77.9 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.8 | -172.6 | 71.2 | 0 | 0 | 0 | 111.9 | A1371 D1375 E1377 V1381 F1382 D1383 | A1371-L1379 HydrophobicContact CB-CD1 4.4Å; A1371-L1379 HydrophobicContact CB-CD2 3.55Å; D1375-L1379 PolarHBondContact O-N 3Å; E1377-L1379 VanDerWaalsContact C-N 3.28Å; E1377-L1379 PolarHBondContact O-N 3.37Å; L1379-V1381 PolarHBondContact O-N 3.28Å; L1379-F1382 PolarHBondContact O-N 3.24Å; L1379-D1383 WeakPolarHBondContact O-CB 3.49Å; L1379-D1383 VanDerWaalsContact O-CG 3.27Å; L1379-D1383 PolarHBondContact O-N 3.42Å |
| 1380 | K | 88.2 | Confident | 78.6 | Confident | 89 Ų | 89 | 71.5 Ų | 71.5 | 39% | 0.387 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.4 | -166.4 | -160 | 178.1 | -157.8 | 0 | 112 | P1376 E1377 W1384 I1402 I1447 | P1376-K1380 WeakPolarHBondContact O-CB 3.47Å; P1376-K1380 PolarHBondContact O-N 2.88Å; E1377-K1380 WeakPolarHBondContact O-CB 3.4Å; E1377-K1380 PolarHBondContact O-N 3.18Å; E1377-K1380 VanDerWaalsContact O-N 3.13Å; K1380-W1384 WeakPolarHBondContact O-CB 3.41Å; K1380-W1384 PolarHBondContact O-N 2.76Å; K1380-I1402 HydrophobicContact CB-CD1 4.3Å; K1380-I1402 HydrophobicContact CD-CD1 3.67Å; K1380-I1402 HydrophobicContact CG-CD1 3.65Å; K1380-I1402 PolarHBondContact NZ-O 3.43Å; K1380-I1402 VanDerWaalsContact NZ-O 3.08Å; K1380-I1402 WeakPolarHBondContact O-CD1 3.37Å; K1380-I1447 HydrophobicContact CD-CD1 3.83Å |
| 1381 | V | 91 | Very high | 80.1 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.048 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -73.3 | -39.8 | 176.1 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | E1377 Q1378 L1379 W1384 A1385 I1402 I1447 L1450 V1451 E1454 | E1377-V1381 WeakPolarHBondContact O-CG2 3.47Å; E1377-V1381 PolarHBondContact O-N 3.03Å; Q1378-V1381 PolarHBondContact O-N 3.42Å; L1379-V1381 PolarHBondContact O-N 3.28Å; V1381-W1384 HydrophobicContact CG1-CE3 4.27Å; V1381-W1384 WeakPolarHBondContact O-CB 3.41Å; V1381-W1384 PolarHBondContact O-N 3.21Å; V1381-W1384 VanDerWaalsContact O-N 3.13Å; V1381-A1385 WeakPolarHBondContact O-CB 3.26Å; V1381-A1385 PolarHBondContact O-N 3.24Å; V1381-I1402 HydrophobicContact CG2-CD1 3.98Å; V1381-I1402 HydrophobicContact CG2-CG1 4.06Å; V1381-I1447 HydrophobicContact CG2-CG1 4.2Å; V1381-L1450 HydrophobicContact CB-CB 4.36Å; V1381-L1450 HydrophobicContact CG1-CB 4.32Å; V1381-L1450 HydrophobicContact CG2-CB 3.87Å; V1381-L1450 HydrophobicContact CG2-CD1 4.47Å; V1381-V1451 HydrophobicContact CG1-CG2 4.41Å; V1381-V1451 HydrophobicContact CG2-CG2 3.83Å; V1381-E1454 HydrophobicContact CG1-CG 4.22Å |
| 1382 | F | 84.1 | Confident | 81.6 | Confident | 92 Ų | 92 | 70.6 Ų | 70.6 | 40% | 0.404 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 173.5 | -176.1 | -88.6 | 0 | 0 | 0 | 112 | M1370 Q1378 L1379 W1384 A1385 E1386 | M1370-F1382 HydrophobicContact CE-CZ 4.4Å; M1370-F1382 HydrophobicContact SD-CE1 4.49Å; M1370-F1382 HydrophobicContact SD-CZ 4.44Å; Q1378-F1382 WeakPolarHBondContact O-CB 3.46Å; Q1378-F1382 PolarHBondContact O-N 3.25Å; L1379-F1382 PolarHBondContact O-N 3.24Å; F1382-W1384 PolarHBondContact O-N 3.33Å; F1382-A1385 PolarHBondContact O-N 3.36Å; F1382-A1385 VanDerWaalsContact O-N 3.12Å; F1382-E1386 PolarHBondContact O-N 2.52Å |
| 1383 | D | 87 | Confident | 83.1 | Confident | 50 Ų | 50 | 64.8 Ų | 64.8 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -24.8 | 175.3 | -74.2 | -25.7 | 0 | 0 | 0 | 112.9 | R1367 L1379 | R1367-D1383 IonicContact CZ-OD1 2.65Å; R1367-D1383 IonicContact CZ-OD2 3.09Å; R1367-D1383 VanDerWaalsContact NE-CG 3.34Å; R1367-D1383 IonicContact NE-OD1 3.82Å; R1367-D1383 PolarHBondContact NE-OD1 2.86Å; R1367-D1383 IonicContact NE-OD2 2.66Å; R1367-D1383 PolarHBondContact NE-OD2 2.91Å; R1367-D1383 IonicContact NH2-OD1 3.78Å; R1367-D1383 PolarHBondContact NH2-OD1 2.83Å; R1367-D1383 IonicContact NH2-OD2 2.74Å; R1367-D1383 PolarHBondContact NH2-OD2 2.86Å; L1379-D1383 WeakPolarHBondContact O-CB 3.49Å; L1379-D1383 VanDerWaalsContact O-CG 3.27Å; L1379-D1383 PolarHBondContact O-N 3.42Å |
| 1384 | W | 93.4 | Very high | 84.7 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 5% | 0.053 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -82.6 | -32 | 174 | 169 | 82.4 | 0 | 0 | 0 | 112.7 | K1380 V1381 F1382 K1388 L1395 S1398 L1399 I1402 V1451 E1454 | K1380-W1384 WeakPolarHBondContact O-CB 3.41Å; K1380-W1384 PolarHBondContact O-N 2.76Å; V1381-W1384 HydrophobicContact CG1-CE3 4.27Å; V1381-W1384 WeakPolarHBondContact O-CB 3.41Å; V1381-W1384 PolarHBondContact O-N 3.21Å; V1381-W1384 VanDerWaalsContact O-N 3.13Å; F1382-W1384 PolarHBondContact O-N 3.33Å; W1384-K1388 VanDerWaalsContact O-CE 3.3Å; W1384-K1388 WeakPolarHBondContact O-CE 3.44Å; W1384-K1388 PolarHBondContact O-NZ 2.89Å; W1384-L1395 HydrophobicContact CE3-CD2 4.35Å; W1384-L1395 HydrophobicContact CH2-CB 4.07Å; W1384-L1395 HydrophobicContact CH2-CD2 3.77Å; W1384-L1395 HydrophobicContact CH2-CG 4.41Å; W1384-L1395 HydrophobicContact CZ2-CB 4.27Å; W1384-L1395 HydrophobicContact CZ2-CD2 4.07Å; W1384-L1395 HydrophobicContact CZ3-CD2 3.91Å; W1384-S1398 PolarHBondContact NE1-O 2.77Å; W1384-L1399 HydrophobicContact CH2-CD1 3.97Å; W1384-L1399 HydrophobicContact CZ2-CD1 3.77Å; W1384-I1402 HydrophobicContact CB-CB 4.29Å; W1384-I1402 HydrophobicContact CB-CD1 4.09Å; W1384-I1402 HydrophobicContact CB-CG1 4.31Å; W1384-I1402 HydrophobicContact CD2-CB 3.92Å; W1384-I1402 HydrophobicContact CD2-CG1 4.28Å; W1384-I1402 HydrophobicContact CD2-CG2 3.82Å; W1384-I1402 HydrophobicContact CE3-CG2 4.33Å; W1384-I1402 HydrophobicContact CG-CB 3.76Å; W1384-I1402 HydrophobicContact CG-CD1 4.47Å; W1384-I1402 HydrophobicContact CG-CG1 4.19Å; W1384-I1402 HydrophobicContact CG-CG2 4.18Å; W1384-I1402 HydrophobicContact CH2-CG2 4.37Å; W1384-I1402 HydrophobicContact CZ2-CG2 3.89Å; W1384-V1451 HydrophobicContact CH2-CG1 4.15Å; W1384-V1451 HydrophobicContact CZ3-CG1 4.31Å; W1384-E1454 HydrophobicContact CZ3-CB 4.2Å |
| 1385 | A | 90.8 | Very high | 86 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.033 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -82.2 | -31 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1381 F1382 G1387 K1388 D1389 | V1381-A1385 WeakPolarHBondContact O-CB 3.26Å; V1381-A1385 PolarHBondContact O-N 3.24Å; F1382-A1385 PolarHBondContact O-N 3.36Å; F1382-A1385 VanDerWaalsContact O-N 3.12Å; A1385-G1387 PolarHBondContact O-N 2.88Å; A1385-G1387 VanDerWaalsContact O-N 3.16Å; A1385-K1388 CarbonylContact O-C 3.57Å; A1385-K1388 WeakPolarHBondContact O-CA 3.36Å; A1385-K1388 WeakPolarHBondContact O-CB 3.28Å; A1385-K1388 PolarHBondContact O-N 2.79Å; A1385-D1389 PolarHBondContact O-N 2.81Å |
| 1386 | E | 84.9 | Confident | 86.9 | Confident | 86 Ų | 86 | 54.5 Ų | 54.5 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 118 | -174.8 | -171.5 | -179.5 | -162 | 0 | 0 | 112.2 | N1363 F1382 K1388 | N1363-E1386 PolarHBondContact ND2-OE1 3.03Å; F1382-E1386 PolarHBondContact O-N 2.52Å; E1386-K1388 VanDerWaalsContact C-N 3.34Å |
| 1387 | G | 81.2 | Confident | 87.6 | Confident | 75 Ų | 75 | 50.8 Ų | 50.8 | 77% | 0.773 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 0.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1385 D1389 | A1385-G1387 PolarHBondContact O-N 2.88Å; A1385-G1387 VanDerWaalsContact O-N 3.16Å; G1387-D1389 WeakPolarHBondContact CA-OD2 3.3Å; G1387-D1389 PolarHBondContact N-OD2 3.22Å |
| 1388 | K | 88.6 | Confident | 88.2 | Confident | 50 Ų | 50 | 49.6 Ų | 49.6 | 22% | 0.217 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 2.9 | 172.4 | -49.3 | 175.3 | -154.6 | 152.8 | 0 | 112 | W1384 A1385 E1386 R1390 N1391 A1394 L1395 S1398 | W1384-K1388 VanDerWaalsContact O-CE 3.3Å; W1384-K1388 WeakPolarHBondContact O-CE 3.44Å; W1384-K1388 PolarHBondContact O-NZ 2.89Å; A1385-K1388 CarbonylContact O-C 3.57Å; A1385-K1388 WeakPolarHBondContact O-CA 3.36Å; A1385-K1388 WeakPolarHBondContact O-CB 3.28Å; A1385-K1388 PolarHBondContact O-N 2.79Å; E1386-K1388 VanDerWaalsContact C-N 3.34Å; K1388-R1390 PolarHBondContact O-N 2.82Å; K1388-N1391 WeakPolarHBondContact O-CB 3.43Å; K1388-N1391 PolarHBondContact O-N 2.86Å; K1388-A1394 HydrophobicContact CB-CB 4.16Å; K1388-A1394 HydrophobicContact CG-CB 4.31Å; K1388-L1395 HydrophobicContact CB-CD2 3.8Å; K1388-L1395 HydrophobicContact CB-CG 4.38Å; K1388-L1395 HydrophobicContact CD-CD2 4.23Å; K1388-S1398 VanDerWaalsContact CD-OG 3.31Å; K1388-S1398 WeakPolarHBondContact CD-OG 3.34Å; K1388-S1398 WeakPolarHBondContact CE-OG 3.49Å; K1388-S1398 PolarHBondContact NZ-OG 3.04Å |
| 1389 | D | 76.6 | Confident | 88.8 | Confident | 89 Ų | 89 | 45.3 Ų | 45.3 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.6 | 127 | -174.8 | -45.7 | -112.6 | 0 | 0 | 0 | 110.9 | A1385 G1387 N1391 | A1385-D1389 PolarHBondContact O-N 2.81Å; G1387-D1389 WeakPolarHBondContact CA-OD2 3.3Å; G1387-D1389 PolarHBondContact N-OD2 3.22Å; D1389-N1391 PolarHBondContact O-N 2.66Å |
| 1390 | R | 75.9 | Confident | 89.3 | Confident | 153 Ų | 153 | 46.9 Ų | 46.9 | 58% | 0.577 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -3 | -177.6 | -59.6 | 143 | -175.2 | -97.1 | -6 | 116.4 | K1388 L1392 E1461 | K1388-R1390 PolarHBondContact O-N 2.82Å; R1390-L1392 PolarHBondContact O-N 2.84Å; R1390-E1461 HydrophobicContact CB-CB 4.44Å; R1390-E1461 HydrophobicContact CB-CG 4.45Å; R1390-E1461 WeakPolarHBondContact CD-OE2 3.47Å; R1390-E1461 WeakPolarHBondContact CG-OE2 3.33Å; R1390-E1461 IonicContact CZ-OE2 3.21Å; R1390-E1461 IonicContact NE-OE2 2.67Å; R1390-E1461 IonicContact NH1-OE2 3.34Å; R1390-E1461 PolarHBondContact NH1-OE2 3.23Å |
| 1391 | N | 88.6 | Confident | 89.5 | Confident | 84 Ų | 84 | 46.3 Ų | 46.3 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | trans | -87.9 | 84.1 | 177.1 | -173.4 | -17 | 0 | 0 | 0 | 111.3 | K1388 D1389 R1393 A1394 L1395 | K1388-N1391 WeakPolarHBondContact O-CB 3.43Å; K1388-N1391 PolarHBondContact O-N 2.86Å; D1389-N1391 PolarHBondContact O-N 2.66Å; N1391-R1393 PolarHBondContact O-N 2.86Å; N1391-R1393 VanDerWaalsContact O-N 3.08Å; N1391-R1393 PolarHBondContact OD1-N 3.01Å; N1391-A1394 HydrophobicContact CB-CB 4.08Å; N1391-A1394 PolarHBondContact O-N 3.16Å; N1391-A1394 PolarHBondContact OD1-N 2.92Å; N1391-L1395 PolarHBondContact O-N 2.95Å | ||
| 1392 | L | 93.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -50.8 | -36.1 | -178.4 | -178.8 | 61.4 | 0 | 0 | 0 | 113.9 | R1390 L1396 V1423 Y1427 L1455 A1458 M1459 F1462 | R1390-L1392 PolarHBondContact O-N 2.84Å; L1392-L1396 HydrophobicContact CD1-CD1 4.04Å; L1392-L1396 HydrophobicContact CD1-CG 4.03Å; L1392-L1396 HydrophobicContact CG-CD1 3.95Å; L1392-L1396 HydrophobicContact CG-CG 4.37Å; L1392-L1396 WeakPolarHBondContact O-CB 3.24Å; L1392-L1396 VanDerWaalsContact O-CG 3.24Å; L1392-L1396 WeakPolarHBondContact O-CG 3.21Å; L1392-L1396 PolarHBondContact O-N 2.72Å; L1392-V1423 HydrophobicContact CD2-CG1 3.58Å; L1392-V1423 HydrophobicContact CG-CG1 3.96Å; L1392-Y1427 HydrophobicContact CD1-CD2 4.1Å; L1392-L1455 HydrophobicContact CD1-CD2 4.1Å; L1392-A1458 HydrophobicContact CB-CB 3.99Å; L1392-A1458 HydrophobicContact CD1-CB 4.27Å; L1392-M1459 HydrophobicContact CD2-CB 4.22Å; L1392-M1459 HydrophobicContact CD2-SD 3.74Å; L1392-F1462 HydrophobicContact CB-CB 4.35Å; L1392-F1462 HydrophobicContact CD2-CB 3.99Å; L1392-F1462 HydrophobicContact CD2-CD1 3.98Å; L1392-F1462 HydrophobicContact CD2-CG 3.96Å |
| 1393 | R | 93 | Very high | 90 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 178.3 | -70.2 | 175.8 | 72 | 164.8 | 1 | 111.5 | N1391 C1397 M1414 L1417 V1423 F1470 | N1391-R1393 PolarHBondContact O-N 2.86Å; N1391-R1393 VanDerWaalsContact O-N 3.08Å; N1391-R1393 PolarHBondContact OD1-N 3.01Å; R1393-C1397 PolarHBondContact O-N 3.02Å; R1393-C1397 PolarHBondContact O-SG 3.29Å; R1393-M1414 HydrophobicContact CB-CE 4.16Å; R1393-M1414 HydrophobicContact CB-SD 3.79Å; R1393-M1414 PolarHBondContact NH2-O 2.87Å; R1393-L1417 HydrophobicContact CB-CD1 4.25Å; R1393-L1417 HydrophobicContact CG-CB 4.38Å; R1393-L1417 HydrophobicContact CG-CD1 4.4Å; R1393-L1417 PolarHBondContact NE-O 2.91Å; R1393-L1417 PolarHBondContact NH2-O 2.79Å; R1393-L1417 VanDerWaalsContact NH2-O 3.16Å; R1393-V1423 HydrophobicContact CG-CG1 4.26Å; R1393-V1423 HydrophobicContact CG-CG2 3.76Å; R1393-F1470 PolarHBondContact NH1-OXT 3.01Å |
| 1394 | A | 93 | Very high | 90.2 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.9 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1388 N1391 S1398 | K1388-A1394 HydrophobicContact CB-CB 4.16Å; K1388-A1394 HydrophobicContact CG-CB 4.31Å; N1391-A1394 HydrophobicContact CB-CB 4.08Å; N1391-A1394 PolarHBondContact O-N 3.16Å; N1391-A1394 PolarHBondContact OD1-N 2.92Å; A1394-S1398 WeakPolarHBondContact O-CB 3.45Å; A1394-S1398 PolarHBondContact O-N 3.25Å; A1394-S1398 VanDerWaalsContact O-N 3.13Å; A1394-S1398 PolarHBondContact O-OG 3.2Å |
| 1395 | L | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 174.8 | -63.4 | 173.3 | 0 | 0 | 0 | 111.2 | W1384 K1388 N1391 C1397 S1398 L1399 L1455 A1458 | W1384-L1395 HydrophobicContact CE3-CD2 4.35Å; W1384-L1395 HydrophobicContact CH2-CB 4.07Å; W1384-L1395 HydrophobicContact CH2-CD2 3.77Å; W1384-L1395 HydrophobicContact CH2-CG 4.41Å; W1384-L1395 HydrophobicContact CZ2-CB 4.27Å; W1384-L1395 HydrophobicContact CZ2-CD2 4.07Å; W1384-L1395 HydrophobicContact CZ3-CD2 3.91Å; K1388-L1395 HydrophobicContact CB-CD2 3.8Å; K1388-L1395 HydrophobicContact CB-CG 4.38Å; K1388-L1395 HydrophobicContact CD-CD2 4.23Å; N1391-L1395 PolarHBondContact O-N 2.95Å; L1395-C1397 PolarHBondContact O-N 3.21Å; L1395-S1398 CarbonylContact O-C 3.45Å; L1395-S1398 PolarHBondContact O-N 2.67Å; L1395-L1399 PolarHBondContact O-N 3.25Å; L1395-L1455 HydrophobicContact CB-CD2 4.14Å; L1395-A1458 HydrophobicContact CD1-CB 3.64Å |
| 1396 | L | 95.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 178.6 | -72.6 | 171.6 | 0 | 0 | 0 | 113.6 | L1392 W1409 L1417 V1423 Q1426 A1430 L1455 | L1392-L1396 HydrophobicContact CD1-CD1 4.04Å; L1392-L1396 HydrophobicContact CD1-CG 4.03Å; L1392-L1396 HydrophobicContact CG-CD1 3.95Å; L1392-L1396 HydrophobicContact CG-CG 4.37Å; L1392-L1396 WeakPolarHBondContact O-CB 3.24Å; L1392-L1396 VanDerWaalsContact O-CG 3.24Å; L1392-L1396 WeakPolarHBondContact O-CG 3.21Å; L1392-L1396 PolarHBondContact O-N 2.72Å; L1396-W1409 HydrophobicContact CD2-CH2 4.24Å; L1396-W1409 HydrophobicContact CD2-CZ2 4.3Å; L1396-L1417 HydrophobicContact CB-CD1 4.19Å; L1396-L1417 HydrophobicContact CD1-CD2 4.37Å; L1396-V1423 HydrophobicContact CD1-CG1 4.18Å; L1396-Q1426 HydrophobicContact CD1-CB 4.47Å; L1396-A1430 HydrophobicContact CD2-CB 3.59Å; L1396-L1455 HydrophobicContact CD2-CD2 4.2Å |
| 1397 | C | 93.9 | Very high | 89.3 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.1 | -35.7 | 174.6 | -71.5 | 0 | 0 | 0 | 0 | 112.8 | R1393 L1395 V1412 M1414 | R1393-C1397 PolarHBondContact O-N 3.02Å; R1393-C1397 PolarHBondContact O-SG 3.29Å; L1395-C1397 PolarHBondContact O-N 3.21Å; C1397-V1412 PolarHBondContact SG-O 2.92Å; C1397-M1414 HydrophobicContact CB-CE 4.4Å |
| 1398 | S | 94.8 | Very high | 89.4 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -97.7 | 5.7 | -176.2 | 65.9 | 0 | 0 | 0 | 0 | 114.9 | W1384 K1388 A1394 L1395 P1400 A1401 | W1384-S1398 PolarHBondContact NE1-O 2.77Å; K1388-S1398 VanDerWaalsContact CD-OG 3.31Å; K1388-S1398 WeakPolarHBondContact CD-OG 3.34Å; K1388-S1398 WeakPolarHBondContact CE-OG 3.49Å; K1388-S1398 PolarHBondContact NZ-OG 3.04Å; A1394-S1398 WeakPolarHBondContact O-CB 3.45Å; A1394-S1398 PolarHBondContact O-N 3.25Å; A1394-S1398 VanDerWaalsContact O-N 3.13Å; A1394-S1398 PolarHBondContact O-OG 3.2Å; L1395-S1398 CarbonylContact O-C 3.45Å; L1395-S1398 PolarHBondContact O-N 2.67Å; S1398-P1400 VanDerWaalsContact C-N 3.34Å; S1398-A1401 WeakPolarHBondContact O-CB 3.33Å; S1398-A1401 PolarHBondContact O-N 3.44Å; S1398-A1401 VanDerWaalsContact O-N 3.11Å |
| 1399 | L | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -53.5 | -36.9 | 176.8 | -163.7 | 68.9 | 0 | 0 | 0 | 114.6 | W1384 L1395 A1401 I1402 L1403 W1409 A1430 V1451 L1455 | W1384-L1399 HydrophobicContact CH2-CD1 3.97Å; W1384-L1399 HydrophobicContact CZ2-CD1 3.77Å; L1395-L1399 PolarHBondContact O-N 3.25Å; L1399-A1401 PolarHBondContact O-N 3Å; L1399-I1402 HydrophobicContact CD1-CG2 4.08Å; L1399-I1402 WeakPolarHBondContact O-CG2 3.5Å; L1399-I1402 PolarHBondContact O-N 2.93Å; L1399-I1402 VanDerWaalsContact O-N 3.17Å; L1399-L1403 HydrophobicContact CD2-CD1 4.38Å; L1399-L1403 HydrophobicContact CG-CD1 4.1Å; L1399-L1403 HydrophobicContact CG-CD2 4.44Å; L1399-L1403 HydrophobicContact CG-CG 4.2Å; L1399-L1403 WeakPolarHBondContact O-CG 3.48Å; L1399-W1409 HydrophobicContact CD2-CD2 3.89Å; L1399-W1409 HydrophobicContact CD2-CE3 4.39Å; L1399-W1409 HydrophobicContact CD2-CG 4.19Å; L1399-W1409 HydrophobicContact CD2-CH2 4.4Å; L1399-W1409 HydrophobicContact CD2-CZ2 3.95Å; L1399-A1430 HydrophobicContact CD2-CB 3.78Å; L1399-V1451 HydrophobicContact CD1-CG1 3.58Å; L1399-L1455 HydrophobicContact CD1-CD1 4.11Å |
| 1400 | P | 92.6 | Very high | 90 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 40% | 0.403 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -54.8 | -22 | 175.4 | -25.1 | 32.2 | 0 | 0 | 0 | 115.3 | S1398 | S1398-P1400 VanDerWaalsContact C-N 3.34Š|
| 1401 | A | 91.7 | Very high | 90.6 | Very high | 77 Ų | 77 | 53 Ų | 53 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -81.2 | -12.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1398 L1399 | S1398-A1401 WeakPolarHBondContact O-CB 3.33Å; S1398-A1401 PolarHBondContact O-N 3.44Å; S1398-A1401 VanDerWaalsContact O-N 3.11Å; L1399-A1401 PolarHBondContact O-N 3Å |
| 1402 | I | 93.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -24.1 | -179.3 | -167.3 | 58 | 0 | 0 | 0 | 113.6 | K1380 V1381 W1384 L1399 I1447 V1451 | K1380-I1402 HydrophobicContact CB-CD1 4.3Å; K1380-I1402 HydrophobicContact CD-CD1 3.67Å; K1380-I1402 HydrophobicContact CG-CD1 3.65Å; K1380-I1402 PolarHBondContact NZ-O 3.43Å; K1380-I1402 VanDerWaalsContact NZ-O 3.08Å; K1380-I1402 WeakPolarHBondContact O-CD1 3.37Å; V1381-I1402 HydrophobicContact CG2-CD1 3.98Å; V1381-I1402 HydrophobicContact CG2-CG1 4.06Å; W1384-I1402 HydrophobicContact CB-CB 4.29Å; W1384-I1402 HydrophobicContact CB-CD1 4.09Å; W1384-I1402 HydrophobicContact CB-CG1 4.31Å; W1384-I1402 HydrophobicContact CD2-CB 3.92Å; W1384-I1402 HydrophobicContact CD2-CG1 4.28Å; W1384-I1402 HydrophobicContact CD2-CG2 3.82Å; W1384-I1402 HydrophobicContact CE3-CG2 4.33Å; W1384-I1402 HydrophobicContact CG-CB 3.76Å; W1384-I1402 HydrophobicContact CG-CD1 4.47Å; W1384-I1402 HydrophobicContact CG-CG1 4.19Å; W1384-I1402 HydrophobicContact CG-CG2 4.18Å; W1384-I1402 HydrophobicContact CH2-CG2 4.37Å; W1384-I1402 HydrophobicContact CZ2-CG2 3.89Å; L1399-I1402 HydrophobicContact CD1-CG2 4.08Å; L1399-I1402 WeakPolarHBondContact O-CG2 3.5Å; L1399-I1402 PolarHBondContact O-N 2.93Å; L1399-I1402 VanDerWaalsContact O-N 3.17Å; I1402-I1447 HydrophobicContact CD1-CD1 4.16Å; I1402-I1447 HydrophobicContact CG1-CD1 4.38Å; I1402-V1451 HydrophobicContact CB-CG2 4.38Å; I1402-V1451 HydrophobicContact CG1-CG2 3.56Å; I1402-V1451 HydrophobicContact CG2-CG1 4.07Å; I1402-V1451 HydrophobicContact CG2-CG2 3.84Å |
| 1403 | L | 92.2 | Very high | 90.4 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | trans | -62.9 | 165.5 | 179 | -65.8 | 178.3 | 0 | 0 | 0 | 113.6 | L1399 A1407 W1409 V1434 | L1399-L1403 HydrophobicContact CD2-CD1 4.38Å; L1399-L1403 HydrophobicContact CG-CD1 4.1Å; L1399-L1403 HydrophobicContact CG-CD2 4.44Å; L1399-L1403 HydrophobicContact CG-CG 4.2Å; L1399-L1403 WeakPolarHBondContact O-CG 3.48Å; L1403-A1407 HydrophobicContact CB-CB 4.15Å; L1403-A1407 HydrophobicContact CD1-CB 4.44Å; L1403-A1407 HydrophobicContact CD2-CB 4.01Å; L1403-A1407 HydrophobicContact CG-CB 4.42Å; L1403-W1409 HydrophobicContact CD1-CB 3.47Å; L1403-W1409 VanDerWaalsContact CD1-CB 3.47Å; L1403-W1409 HydrophobicContact CD1-CG 3.98Å; L1403-V1434 HydrophobicContact CD2-CG1 3.44Å; L1403-V1434 VanDerWaalsContact CD2-CG1 3.44Å | ||
| 1404 | W | 92.2 | Very high | 90.2 | Very high | 27 Ų | 27 | 52 Ų | 52 | 10% | 0.102 | 30% | 0.303 | C | S | . | . | trans | -119.3 | 166.4 | -178.8 | 53.5 | 93.5 | 0 | 0 | 0 | 111 | G1406 A1407 V1434 W1439 H1444 I1447 A1448 | W1404-G1406 PolarHBondContact O-N 2.92Å; W1404-A1407 HydrophobicContact CD2-CB 4.12Å; W1404-A1407 HydrophobicContact CG-CB 4.34Å; W1404-A1407 HydrophobicContact CZ2-CB 4.13Å; W1404-A1407 WeakPolarHBondContact O-CB 3.46Å; W1404-A1407 PolarHBondContact O-N 3.03Å; W1404-V1434 HydrophobicContact CH2-CB 4.41Å; W1404-V1434 HydrophobicContact CH2-CG1 4.01Å; W1404-W1439 AromaticContact CZ2-CD1 3.99Å; W1404-W1439 AromaticContact CZ2-CD2 3.84Å; W1404-W1439 HydrophobicContact CZ2-CD2 3.84Å; W1404-W1439 AromaticContact CZ2-CE2 3.58Å; W1404-W1439 HydrophobicContact CZ2-CE3 4.42Å; W1404-W1439 HydrophobicContact CZ2-CG 4.11Å; W1404-W1439 AromaticContact CZ2-CZ2 3.94Å; W1404-W1439 HydrophobicContact CZ2-CZ2 3.94Å; W1404-W1439 AromaticContact CZ2-NE1 3.68Å; W1404-W1439 AromaticContact NE1-CD2 4Å; W1404-W1439 AromaticContact NE1-CE3 3.69Å; W1404-W1439 AromaticContact NE1-CH2 3.48Å; W1404-W1439 AromaticContact NE1-CZ2 3.78Å; W1404-W1439 AromaticContact NE1-CZ3 3.43Å; W1404-H1444 AromaticContact CD1-CD2 3.63Å; W1404-H1444 AromaticContact CD1-CE1 3.63Å; W1404-H1444 AromaticContact CD1-CG 3.3Å; W1404-H1444 AromaticContact CD1-ND1 3.32Å; W1404-H1444 VanDerWaalsContact CD1-ND1 3.32Å; W1404-H1444 AromaticContact CD1-NE2 3.83Å; W1404-H1444 HydrophobicContact CD2-CB 3.84Å; W1404-H1444 AromaticContact CD2-CG 3.94Å; W1404-H1444 AromaticContact CE2-CG 3.92Å; W1404-H1444 HydrophobicContact CG-CB 4.05Å; W1404-H1444 AromaticContact CG-CD2 3.52Å; W1404-H1444 AromaticContact CG-CG 3.58Å; W1404-H1444 AromaticContact CG-NE2 3.92Å; W1404-H1444 HydrophobicContact CZ2-CB 4.03Å; W1404-H1444 AromaticContact NE1-CG 3.48Å; W1404-H1444 AromaticContact NE1-ND1 3.6Å; W1404-I1447 HydrophobicContact CD2-CG2 4.5Å; W1404-I1447 HydrophobicContact CE3-CD1 4.38Å; W1404-I1447 HydrophobicContact CE3-CG1 4.4Å; W1404-I1447 HydrophobicContact CE3-CG2 3.85Å; W1404-I1447 HydrophobicContact CZ3-CG1 4.2Å; W1404-I1447 HydrophobicContact CZ3-CG2 3.91Å; W1404-A1448 HydrophobicContact CH2-CB 3.51Å; W1404-A1448 HydrophobicContact CZ2-CB 3.92Å; W1404-A1448 HydrophobicContact CZ3-CB 4.44Å | ||
| 1405 | D | 82.7 | Confident | 89.8 | Confident | 162 Ų | 162 | 54.6 Ų | 54.6 | 87% | 0.866 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 129.6 | 178.5 | -67.6 | -50.4 | 0 | 0 | 0 | 111.6 | ||
| 1406 | G | 81.5 | Confident | 89.3 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -16.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | W1404 Q1408 | W1404-G1406 PolarHBondContact O-N 2.92Å; G1406-Q1408 VanDerWaalsContact C-N 3.29Å; G1406-Q1408 PolarHBondContact O-N 2.9Å |
| 1407 | A | 85.7 | Confident | 89.1 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | trans | -78.2 | 75.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1403 W1404 W1409 V1433 W1439 | L1403-A1407 HydrophobicContact CB-CB 4.15Å; L1403-A1407 HydrophobicContact CD1-CB 4.44Å; L1403-A1407 HydrophobicContact CD2-CB 4.01Å; L1403-A1407 HydrophobicContact CG-CB 4.42Å; W1404-A1407 HydrophobicContact CD2-CB 4.12Å; W1404-A1407 HydrophobicContact CG-CB 4.34Å; W1404-A1407 HydrophobicContact CZ2-CB 4.13Å; W1404-A1407 WeakPolarHBondContact O-CB 3.46Å; W1404-A1407 PolarHBondContact O-N 3.03Å; A1407-W1409 PolarHBondContact O-N 3.23Å; A1407-V1433 HydrophobicContact CB-CG1 4.17Å; A1407-W1439 HydrophobicContact CB-CH2 4.39Å; A1407-W1439 HydrophobicContact CB-CZ2 4.14Å | ||
| 1408 | Q | 83 | Confident | 88.6 | Confident | 169 Ų | 169 | 63 Ų | 63 | 79% | 0.79 | 37% | 0.367 | S | S | * | . | trans | -56.5 | 108.3 | -176.7 | -66.8 | -178.8 | -5.6 | 0 | 0 | 112.8 | G1406 V1433 | G1406-Q1408 VanDerWaalsContact C-N 3.29Å; G1406-Q1408 PolarHBondContact O-N 2.9Å; Q1408-V1433 VanDerWaalsContact O-CG2 3.26Å; Q1408-V1433 WeakPolarHBondContact O-CG2 3.33Å | ||
| 1409 | W | 91.1 | Very high | 88.2 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | trans | -135.6 | 126.7 | 176.1 | 177.2 | -116.8 | 0 | 0 | 0 | 111 | L1396 L1399 L1403 A1407 V1412 Q1426 K1429 A1430 V1433 | L1396-W1409 HydrophobicContact CD2-CH2 4.24Å; L1396-W1409 HydrophobicContact CD2-CZ2 4.3Å; L1399-W1409 HydrophobicContact CD2-CD2 3.89Å; L1399-W1409 HydrophobicContact CD2-CE3 4.39Å; L1399-W1409 HydrophobicContact CD2-CG 4.19Å; L1399-W1409 HydrophobicContact CD2-CH2 4.4Å; L1399-W1409 HydrophobicContact CD2-CZ2 3.95Å; L1403-W1409 HydrophobicContact CD1-CB 3.47Å; L1403-W1409 VanDerWaalsContact CD1-CB 3.47Å; L1403-W1409 HydrophobicContact CD1-CG 3.98Å; A1407-W1409 PolarHBondContact O-N 3.23Å; W1409-V1412 HydrophobicContact CH2-CG2 4.23Å; W1409-V1412 HydrophobicContact CZ2-CG2 3.53Å; W1409-Q1426 HydrophobicContact CH2-CG 3.79Å; W1409-Q1426 HydrophobicContact CZ2-CG 4.24Å; W1409-K1429 HydrophobicContact CH2-CB 4.42Å; W1409-K1429 HydrophobicContact CZ3-CB 3.73Å; W1409-A1430 HydrophobicContact CH2-CB 3.66Å; W1409-A1430 HydrophobicContact CZ2-CB 4.36Å; W1409-A1430 HydrophobicContact CZ3-CB 3.86Å; W1409-V1433 HydrophobicContact CE3-CG2 4.13Å | ||
| 1410 | N | 87.1 | Confident | 87.9 | Confident | 136 Ų | 136 | 69.1 Ų | 69.1 | 73% | 0.727 | 39% | 0.393 | S | S | * | . | trans | -82.8 | 125.9 | 173.2 | -65.4 | 1.9 | 0 | 0 | 0 | 108.8 | V1412 | N1410-V1412 WeakPolarHBondContact O-CG2 3.46Š| ||
| 1411 | H | 88.7 | Confident | 87.6 | Confident | 138 Ų | 138 | 71.8 Ų | 71.8 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | trans | -53.3 | 143 | 177.2 | 178.9 | -77.6 | 0 | 0 | 0 | 111.7 | ||||
| 1412 | V | 89.1 | Confident | 87.6 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.036 | 39% | 0.39 | C | S | . | . | trans | -123.3 | 119 | -176.2 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | C1397 W1409 N1410 D1416 L1417 Q1426 | C1397-V1412 PolarHBondContact SG-O 2.92Å; W1409-V1412 HydrophobicContact CH2-CG2 4.23Å; W1409-V1412 HydrophobicContact CZ2-CG2 3.53Å; N1410-V1412 WeakPolarHBondContact O-CG2 3.46Å; V1412-D1416 HydrophobicContact CG1-CB 3.83Å; V1412-L1417 HydrophobicContact CG1-CD1 3.97Å; V1412-L1417 HydrophobicContact CG1-CD2 3.85Å; V1412-L1417 HydrophobicContact CG1-CG 3.69Å; V1412-Q1426 HydrophobicContact CG1-CG 4.08Å; V1412-Q1426 HydrophobicContact CG2-CG 3.68Å | ||
| 1413 | G | 89.1 | Confident | 87.5 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 24% | 0.237 | 39% | 0.39 | C | S | . | . | trans | -75.1 | 154.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1415 D1416 | G1413-A1415 PolarHBondContact O-N 3.19Å; G1413-A1415 VanDerWaalsContact O-N 3.11Å; G1413-D1416 WeakPolarHBondContact CA-OD2 3.23Å; G1413-D1416 PolarHBondContact N-OD2 3.13Å; G1413-D1416 WeakPolarHBondContact O-CB 3.43Å; G1413-D1416 PolarHBondContact O-N 2.88Å | ||
| 1414 | M | 88.7 | Confident | 87.6 | Confident | 91 Ų | 91 | 72.5 Ų | 72.5 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -62.8 | -20.7 | 176.8 | -167.9 | 58.6 | 69.8 | 0 | 0 | 112.7 | R1393 C1397 | R1393-M1414 HydrophobicContact CB-CE 4.16Å; R1393-M1414 HydrophobicContact CB-SD 3.79Å; R1393-M1414 PolarHBondContact NH2-O 2.87Å; C1397-M1414 HydrophobicContact CB-CE 4.4Å |
| 1415 | A | 83.9 | Confident | 87.6 | Confident | 74 Ų | 74 | 79 Ų | 79 | 61% | 0.612 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -74.3 | -19.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1413 L1417 I1418 | G1413-A1415 PolarHBondContact O-N 3.19Å; G1413-A1415 VanDerWaalsContact O-N 3.11Å; A1415-L1417 PolarHBondContact O-N 2.87Å; A1415-I1418 VanDerWaalsContact O-CD1 3.24Å; A1415-I1418 WeakPolarHBondContact O-CD1 3.5Å; A1415-I1418 WeakPolarHBondContact O-CG1 3.41Å |
| 1416 | D | 85.5 | Confident | 88.2 | Confident | 95 Ų | 95 | 72.4 Ų | 72.4 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -82.4 | -6.7 | 176.3 | -56.5 | -50.4 | 0 | 0 | 0 | 112.4 | V1412 G1413 Q1422 | V1412-D1416 HydrophobicContact CG1-CB 3.83Å; G1413-D1416 WeakPolarHBondContact CA-OD2 3.23Å; G1413-D1416 PolarHBondContact N-OD2 3.13Å; G1413-D1416 WeakPolarHBondContact O-CB 3.43Å; G1413-D1416 PolarHBondContact O-N 2.88Å; D1416-Q1422 WeakPolarHBondContact O-CB 3.42Å |
| 1417 | L | 89.5 | Confident | 88.8 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -114.8 | 19.2 | -169.3 | -66.6 | 179.5 | 0 | 0 | 0 | 113.3 | R1393 L1396 V1412 A1415 T1419 V1423 Q1426 | R1393-L1417 HydrophobicContact CB-CD1 4.25Å; R1393-L1417 HydrophobicContact CG-CB 4.38Å; R1393-L1417 HydrophobicContact CG-CD1 4.4Å; R1393-L1417 PolarHBondContact NE-O 2.91Å; R1393-L1417 PolarHBondContact NH2-O 2.79Å; R1393-L1417 VanDerWaalsContact NH2-O 3.16Å; L1396-L1417 HydrophobicContact CB-CD1 4.19Å; L1396-L1417 HydrophobicContact CD1-CD2 4.37Å; V1412-L1417 HydrophobicContact CG1-CD1 3.97Å; V1412-L1417 HydrophobicContact CG1-CD2 3.85Å; V1412-L1417 HydrophobicContact CG1-CG 3.69Å; A1415-L1417 PolarHBondContact O-N 2.87Å; L1417-T1419 PolarHBondContact O-N 2.78Å; L1417-V1423 HydrophobicContact CB-CG2 4.15Å; L1417-V1423 HydrophobicContact CD2-CG2 4.37Å; L1417-V1423 VanDerWaalsContact O-CG2 3.3Å; L1417-V1423 WeakPolarHBondContact O-CG2 3.35Å; L1417-Q1426 HydrophobicContact CD2-CB 3.93Å; L1417-Q1426 HydrophobicContact CD2-CG 4.24Å |
| 1418 | I | 83.9 | Confident | 89.2 | Confident | 105 Ų | 105 | 78.5 Ų | 78.5 | 54% | 0.538 | 38% | 0.384 | S | S | . | . | trans | -59.1 | -49.4 | -172.4 | -65.7 | 165.6 | 0 | 0 | 0 | 112 | A1415 | A1415-I1418 VanDerWaalsContact O-CD1 3.24Å; A1415-I1418 WeakPolarHBondContact O-CD1 3.5Å; A1415-I1418 WeakPolarHBondContact O-CG1 3.41Å | ||
| 1419 | T | 86.8 | Confident | 89.8 | Confident | 70 Ų | 70 | 75.6 Ų | 75.6 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -94.5 | 152.9 | -174.7 | 76.2 | 0 | 0 | 0 | 0 | 112.5 | L1417 D1421 Q1422 V1423 | L1417-T1419 PolarHBondContact O-N 2.78Å; T1419-D1421 PolarHBondContact O-N 2.76Å; T1419-Q1422 WeakPolarHBondContact O-CB 3.3Å; T1419-Q1422 PolarHBondContact O-N 2.92Å; T1419-Q1422 WeakPolarHBondContact OG1-CG 3.31Å; T1419-Q1422 PolarHBondContact OG1-N 2.89Å; T1419-V1423 PolarHBondContact O-N 2.76Å; T1419-V1423 VanDerWaalsContact O-N 3.1Å |
| 1420 | R | 87.2 | Confident | 89.9 | Confident | 85 Ų | 85 | 73.9 Ų | 73.9 | 32% | 0.321 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.5 | -37 | 179.6 | -149.1 | 176 | -173.3 | -158.9 | 0.2 | 112.1 | V1423 K1424 F1462 D1463 N1465 | R1420-V1423 PolarHBondContact O-N 3.41Å; R1420-K1424 WeakPolarHBondContact O-CG 3.47Å; R1420-K1424 PolarHBondContact O-N 3.06Å; R1420-F1462 HydrophobicContact CB-CZ 4.44Å; R1420-F1462 HydrophobicContact CG-CE1 3.56Å; R1420-F1462 HydrophobicContact CG-CZ 3.54Å; R1420-F1462 PolarHBondContact NH2-O 2.66Å; R1420-D1463 PolarHBondContact NH2-O 3.22Å; R1420-D1463 IonicContact NH2-OD1 3.62Å; R1420-N1465 PolarHBondContact NH2-O 2.74Å |
| 1421 | D | 86.8 | Confident | 90.3 | Very high | 117 Ų | 117 | 68 Ų | 68 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -72.8 | -30.2 | 176.2 | -72.6 | -40.4 | 0 | 0 | 0 | 114 | T1419 R1425 | T1419-D1421 PolarHBondContact O-N 2.76Å; D1421-R1425 WeakPolarHBondContact O-CB 3.33Å; D1421-R1425 PolarHBondContact O-N 3.16Å |
| 1422 | Q | 91.3 | Very high | 90.5 | Very high | 73 Ų | 73 | 71 Ų | 71 | 34% | 0.341 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 169.3 | -77.6 | 168.4 | -28.3 | 0 | 0 | 110.4 | D1416 T1419 R1425 Q1426 | D1416-Q1422 WeakPolarHBondContact O-CB 3.42Å; T1419-Q1422 WeakPolarHBondContact O-CB 3.3Å; T1419-Q1422 PolarHBondContact O-N 2.92Å; T1419-Q1422 WeakPolarHBondContact OG1-CG 3.31Å; T1419-Q1422 PolarHBondContact OG1-N 2.89Å; Q1422-R1425 PolarHBondContact O-N 3.26Å; Q1422-Q1426 WeakPolarHBondContact O-CB 3.36Å; Q1422-Q1426 PolarHBondContact O-N 3.13Å |
| 1423 | V | 92.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.1 | -51.4 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | L1392 R1393 L1396 L1417 T1419 R1420 R1425 Q1426 Y1427 F1462 | L1392-V1423 HydrophobicContact CD2-CG1 3.58Å; L1392-V1423 HydrophobicContact CG-CG1 3.96Å; R1393-V1423 HydrophobicContact CG-CG1 4.26Å; R1393-V1423 HydrophobicContact CG-CG2 3.76Å; L1396-V1423 HydrophobicContact CD1-CG1 4.18Å; L1417-V1423 HydrophobicContact CB-CG2 4.15Å; L1417-V1423 HydrophobicContact CD2-CG2 4.37Å; L1417-V1423 VanDerWaalsContact O-CG2 3.3Å; L1417-V1423 WeakPolarHBondContact O-CG2 3.35Å; T1419-V1423 PolarHBondContact O-N 2.76Å; T1419-V1423 VanDerWaalsContact O-N 3.1Å; R1420-V1423 PolarHBondContact O-N 3.41Å; V1423-R1425 VanDerWaalsContact C-N 3.33Å; V1423-R1425 PolarHBondContact O-N 2.65Å; V1423-Q1426 PolarHBondContact O-N 2.87Å; V1423-Y1427 WeakPolarHBondContact O-CB 3.4Å; V1423-Y1427 PolarHBondContact O-N 3.35Å; V1423-F1462 HydrophobicContact CB-CE1 3.79Å; V1423-F1462 HydrophobicContact CB-CE2 4.35Å; V1423-F1462 HydrophobicContact CB-CZ 3.53Å; V1423-F1462 HydrophobicContact CG1-CD1 4.21Å; V1423-F1462 HydrophobicContact CG1-CE1 3.65Å; V1423-F1462 HydrophobicContact CG1-CE2 4.01Å; V1423-F1462 HydrophobicContact CG1-CZ 3.54Å; V1423-F1462 HydrophobicContact CG2-CE2 4.34Å; V1423-F1462 HydrophobicContact CG2-CZ 3.8Å |
| 1424 | K | 93.5 | Very high | 90.9 | Very high | 44 Ų | 44 | 70.3 Ų | 70.3 | 19% | 0.191 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 177.7 | -68.1 | -156 | -178.3 | -151.6 | 0 | 112.8 | R1420 Q1426 R1428 M1459 F1462 D1463 | R1420-K1424 WeakPolarHBondContact O-CG 3.47Å; R1420-K1424 PolarHBondContact O-N 3.06Å; K1424-Q1426 VanDerWaalsContact C-N 3.34Å; K1424-R1428 VanDerWaalsContact O-CG 3.3Å; K1424-R1428 WeakPolarHBondContact O-CG 3.28Å; K1424-R1428 PolarHBondContact O-N 2.94Å; K1424-M1459 HydrophobicContact CB-CE 4.42Å; K1424-M1459 HydrophobicContact CD-CE 3.95Å; K1424-M1459 HydrophobicContact CG-CE 3.87Å; K1424-F1462 HydrophobicContact CG-CE1 4.29Å; K1424-D1463 WeakPolarHBondContact CE-OD1 3.48Å; K1424-D1463 IonicContact NZ-OD1 3.86Å; K1424-D1463 PolarHBondContact NZ-OD1 3.39Å; K1424-D1463 IonicContact NZ-OD2 3.34Å; K1424-D1463 PolarHBondContact NZ-OD2 3.1Å |
| 1425 | R | 92.6 | Very high | 91.1 | Very high | 164 Ų | 164 | 69.1 Ų | 69.1 | 62% | 0.619 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 178 | -175.5 | -174.8 | -57.9 | -120.8 | 3 | 111.5 | D1421 Q1422 V1423 K1429 | D1421-R1425 WeakPolarHBondContact O-CB 3.33Å; D1421-R1425 PolarHBondContact O-N 3.16Å; Q1422-R1425 PolarHBondContact O-N 3.26Å; V1423-R1425 VanDerWaalsContact C-N 3.33Å; V1423-R1425 PolarHBondContact O-N 2.65Å; R1425-K1429 PolarHBondContact O-N 3.06Å |
| 1426 | Q | 94.5 | Very high | 91.2 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -80.8 | -35 | -177.5 | -160.6 | 59.8 | 20.3 | 0 | 0 | 112.2 | L1396 W1409 V1412 L1417 Q1422 V1423 K1424 R1428 K1429 A1430 | L1396-Q1426 HydrophobicContact CD1-CB 4.47Å; W1409-Q1426 HydrophobicContact CH2-CG 3.79Å; W1409-Q1426 HydrophobicContact CZ2-CG 4.24Å; V1412-Q1426 HydrophobicContact CG1-CG 4.08Å; V1412-Q1426 HydrophobicContact CG2-CG 3.68Å; L1417-Q1426 HydrophobicContact CD2-CB 3.93Å; L1417-Q1426 HydrophobicContact CD2-CG 4.24Å; Q1422-Q1426 WeakPolarHBondContact O-CB 3.36Å; Q1422-Q1426 PolarHBondContact O-N 3.13Å; V1423-Q1426 PolarHBondContact O-N 2.87Å; K1424-Q1426 VanDerWaalsContact C-N 3.34Å; Q1426-R1428 PolarHBondContact O-N 3.27Å; Q1426-K1429 WeakPolarHBondContact O-CB 3.2Å; Q1426-K1429 PolarHBondContact O-N 3.38Å; Q1426-K1429 VanDerWaalsContact O-N 3.11Å; Q1426-K1429 VanDerWaalsContact OE1-CE 3.3Å; Q1426-A1430 PolarHBondContact O-N 3.38Å |
| 1427 | Y | 95 | Very high | 91.2 | Very high | 38 Ų | 38 | 66.8 Ų | 66.8 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.3 | -48.3 | 165.1 | 159.9 | -96.8 | 0 | 0 | 0 | 111.9 | L1392 V1423 K1429 A1430 A1431 L1455 N1456 M1459 | L1392-Y1427 HydrophobicContact CD1-CD2 4.1Å; V1423-Y1427 WeakPolarHBondContact O-CB 3.4Å; V1423-Y1427 PolarHBondContact O-N 3.35Å; Y1427-K1429 PolarHBondContact O-N 2.95Å; Y1427-K1429 VanDerWaalsContact O-N 3.15Å; Y1427-A1430 PolarHBondContact O-N 2.92Å; Y1427-A1431 WeakPolarHBondContact O-CB 3.47Å; Y1427-A1431 PolarHBondContact O-N 3.3Å; Y1427-L1455 HydrophobicContact CD2-CB 4.47Å; Y1427-L1455 HydrophobicContact CE2-CB 4.34Å; Y1427-L1455 WeakPolarHBondContact CE2-O 3.4Å; Y1427-N1456 PolarHBondContact OH-OD1 2.93Å; Y1427-M1459 HydrophobicContact CD1-CE 3.68Å; Y1427-M1459 HydrophobicContact CD1-CG 3.97Å; Y1427-M1459 HydrophobicContact CD1-SD 3.56Å; Y1427-M1459 VanDerWaalsContact CD1-SD 3.56Å; Y1427-M1459 HydrophobicContact CD2-CB 3.94Å; Y1427-M1459 HydrophobicContact CD2-CG 4.17Å; Y1427-M1459 HydrophobicContact CD2-SD 4.22Å; Y1427-M1459 HydrophobicContact CE1-CB 4.33Å; Y1427-M1459 HydrophobicContact CE1-CE 3.8Å; Y1427-M1459 HydrophobicContact CE1-CG 3.66Å; Y1427-M1459 HydrophobicContact CE1-SD 3.88Å; Y1427-M1459 HydrophobicContact CE2-CB 3.58Å; Y1427-M1459 HydrophobicContact CE2-CG 3.86Å; Y1427-M1459 HydrophobicContact CE2-SD 4.48Å; Y1427-M1459 HydrophobicContact CG-CB 4.44Å; Y1427-M1459 HydrophobicContact CG-CE 4.45Å; Y1427-M1459 HydrophobicContact CG-CG 4.21Å; Y1427-M1459 HydrophobicContact CG-SD 3.75Å |
| 1428 | R | 94.5 | Very high | 91.1 | Very high | 159 Ų | 159 | 72.2 Ų | 72.2 | 60% | 0.6 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.4 | -27.2 | 176.7 | -73.2 | 171.9 | -171.8 | 159.8 | 3 | 113.5 | K1424 Q1426 R1432 | K1424-R1428 VanDerWaalsContact O-CG 3.3Å; K1424-R1428 WeakPolarHBondContact O-CG 3.28Å; K1424-R1428 PolarHBondContact O-N 2.94Å; Q1426-R1428 PolarHBondContact O-N 3.27Å; R1428-R1432 WeakPolarHBondContact O-CG 3.49Å |
| 1429 | K | 94.3 | Very high | 91.4 | Very high | 108 Ų | 108 | 68.7 Ų | 68.7 | 47% | 0.47 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75.6 | -47.6 | 171.3 | -63.7 | -175.2 | -158.3 | 157.5 | 0 | 110.9 | W1409 R1425 Q1426 Y1427 A1431 R1432 V1433 | W1409-K1429 HydrophobicContact CH2-CB 4.42Å; W1409-K1429 HydrophobicContact CZ3-CB 3.73Å; R1425-K1429 PolarHBondContact O-N 3.06Å; Q1426-K1429 WeakPolarHBondContact O-CB 3.2Å; Q1426-K1429 PolarHBondContact O-N 3.38Å; Q1426-K1429 VanDerWaalsContact O-N 3.11Å; Q1426-K1429 VanDerWaalsContact OE1-CE 3.3Å; Y1427-K1429 PolarHBondContact O-N 2.95Å; Y1427-K1429 VanDerWaalsContact O-N 3.15Å; K1429-A1431 VanDerWaalsContact C-N 3.35Å; K1429-A1431 PolarHBondContact O-N 2.84Å; K1429-R1432 PolarHBondContact O-N 3.37Å; K1429-V1433 PolarHBondContact O-N 3.5Å; K1429-V1433 VanDerWaalsContact O-N 3.08Å |
| 1430 | A | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -48 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1396 L1399 W1409 Q1426 Y1427 R1432 V1433 V1434 L1455 | L1396-A1430 HydrophobicContact CD2-CB 3.59Å; L1399-A1430 HydrophobicContact CD2-CB 3.78Å; W1409-A1430 HydrophobicContact CH2-CB 3.66Å; W1409-A1430 HydrophobicContact CZ2-CB 4.36Å; W1409-A1430 HydrophobicContact CZ3-CB 3.86Å; Q1426-A1430 PolarHBondContact O-N 3.38Å; Y1427-A1430 PolarHBondContact O-N 2.92Å; A1430-R1432 PolarHBondContact O-N 3.39Å; A1430-V1433 WeakPolarHBondContact O-CA 3.45Å; A1430-V1433 WeakPolarHBondContact O-CB 3.46Å; A1430-V1433 PolarHBondContact O-N 3.21Å; A1430-V1434 PolarHBondContact O-N 3.34Å; A1430-L1455 HydrophobicContact CB-CD1 3.86Å |
| 1431 | A | 94.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 72.7 Ų | 72.7 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -52.9 | -37.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1427 K1429 H1435 F1452 | Y1427-A1431 WeakPolarHBondContact O-CB 3.47Å; Y1427-A1431 PolarHBondContact O-N 3.3Å; K1429-A1431 VanDerWaalsContact C-N 3.35Å; K1429-A1431 PolarHBondContact O-N 2.84Å; A1431-H1435 WeakPolarHBondContact O-CA 3.35Å; A1431-H1435 VanDerWaalsContact O-CB 3.3Å; A1431-H1435 WeakPolarHBondContact O-CB 3.3Å; A1431-H1435 PolarHBondContact O-N 3.09Å; A1431-F1452 HydrophobicContact CB-CD2 4.46Å; A1431-F1452 HydrophobicContact CB-CE2 3.96Å |
| 1432 | R | 92.2 | Very high | 91 | Very high | 202 Ų | 202 | 70 Ų | 70 | 76% | 0.762 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -80.4 | -13.2 | 175.4 | -69.8 | -179.8 | 71.7 | -176.6 | 3.9 | 114.4 | R1428 K1429 A1430 | R1428-R1432 WeakPolarHBondContact O-CG 3.49Å; K1429-R1432 PolarHBondContact O-N 3.37Å; A1430-R1432 PolarHBondContact O-N 3.39Å |
| 1433 | V | 93.3 | Very high | 90.8 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 9% | 0.085 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -84.1 | -42.5 | 172 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | A1407 Q1408 W1409 K1429 A1430 W1439 | A1407-V1433 HydrophobicContact CB-CG1 4.17Å; Q1408-V1433 VanDerWaalsContact O-CG2 3.26Å; Q1408-V1433 WeakPolarHBondContact O-CG2 3.33Å; W1409-V1433 HydrophobicContact CE3-CG2 4.13Å; K1429-V1433 PolarHBondContact O-N 3.5Å; K1429-V1433 VanDerWaalsContact O-N 3.08Å; A1430-V1433 WeakPolarHBondContact O-CA 3.45Å; A1430-V1433 WeakPolarHBondContact O-CB 3.46Å; A1430-V1433 PolarHBondContact O-N 3.21Å; V1433-W1439 PolarHBondContact O-NE1 3.27Å |
| 1434 | V | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -106.1 | 11 | -175.7 | -55.4 | 0 | 0 | 0 | 0 | 115.3 | L1403 W1404 A1430 A1448 V1451 F1452 L1455 | L1403-V1434 HydrophobicContact CD2-CG1 3.44Å; L1403-V1434 VanDerWaalsContact CD2-CG1 3.44Å; W1404-V1434 HydrophobicContact CH2-CB 4.41Å; W1404-V1434 HydrophobicContact CH2-CG1 4.01Å; A1430-V1434 PolarHBondContact O-N 3.34Å; V1434-A1448 CarbonylContact O-C 3.22Å; V1434-V1451 HydrophobicContact CG1-CG1 4.21Å; V1434-V1451 HydrophobicContact CG2-CG1 4.23Å; V1434-F1452 HydrophobicContact CG2-CB 4Å; V1434-F1452 HydrophobicContact CG2-CD2 4.18Å; V1434-L1455 HydrophobicContact CG2-CD1 4.01Å |
| 1435 | H | 93.3 | Very high | 90.4 | Very high | 65 Ų | 65 | 73.9 Ų | 73.9 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | trans | -55.8 | 128.5 | 177.2 | -153 | -82.4 | 0 | 0 | 0 | 110.9 | A1431 D1437 K1438 W1439 F1452 | A1431-H1435 WeakPolarHBondContact O-CA 3.35Å; A1431-H1435 VanDerWaalsContact O-CB 3.3Å; A1431-H1435 WeakPolarHBondContact O-CB 3.3Å; A1431-H1435 PolarHBondContact O-N 3.09Å; H1435-D1437 VanDerWaalsContact C-N 3.29Å; H1435-D1437 IonicContact CE1-OD1 3.8Å; H1435-D1437 PolarHBondContact CE1-OD1 2.66Å; H1435-D1437 IonicContact CE1-OD2 3.38Å; H1435-D1437 IonicContact ND1-OD1 3.79Å; H1435-D1437 PolarHBondContact ND1-OD1 2.94Å; H1435-D1437 IonicContact ND1-OD2 2.71Å; H1435-D1437 PolarHBondContact O-N 2.93Å; H1435-K1438 WeakPolarHBondContact O-CB 3.5Å; H1435-K1438 PolarHBondContact O-N 2.7Å; H1435-W1439 VanDerWaalsContact O-CD1 3.3Å; H1435-F1452 HydrophobicContact CB-CE2 4.44Å; H1435-F1452 AromaticContact CD2-CE2 3.46Å; H1435-F1452 VanDerWaalsContact CD2-CE2 3.46Å; H1435-F1452 WeakPolarHBondContact CD2-CE2 3.42Å; H1435-F1452 AromaticContact CD2-CZ 3.46Å; H1435-F1452 VanDerWaalsContact CD2-CZ 3.46Å; H1435-F1452 WeakPolarHBondContact CD2-CZ 3.46Å; H1435-F1452 AromaticContact NE2-CZ 3.65Å | ||
| 1436 | P | 85.7 | Confident | 90.1 | Very high | 20 Ų | 20 | 68.7 Ų | 68.7 | 13% | 0.13 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -56.2 | -41.9 | -175.5 | 19.5 | -31.5 | 0 | 0 | 0 | 112.6 | K1438 W1439 M1440 R1449 | P1436-K1438 PolarHBondContact O-N 2.81Å; P1436-W1439 CarbonylContact O-C 3.5Å; P1436-W1439 WeakPolarHBondContact O-CA 3.49Å; P1436-W1439 PolarHBondContact O-N 2.86Å; P1436-M1440 PolarHBondContact O-N 3.13Å; P1436-R1449 HydrophobicContact CB-CB 4.32Å |
| 1437 | D | 86 | Confident | 89.9 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 54% | 0.535 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -50.8 | -33.9 | 177.3 | -52.3 | 31.4 | 0 | 0 | 0 | 113.8 | H1435 W1439 M1440 | H1435-D1437 VanDerWaalsContact C-N 3.29Å; H1435-D1437 IonicContact CE1-OD1 3.8Å; H1435-D1437 PolarHBondContact CE1-OD1 2.66Å; H1435-D1437 IonicContact CE1-OD2 3.38Å; H1435-D1437 IonicContact ND1-OD1 3.79Å; H1435-D1437 PolarHBondContact ND1-OD1 2.94Å; H1435-D1437 IonicContact ND1-OD2 2.71Å; H1435-D1437 PolarHBondContact O-N 2.93Å; D1437-W1439 VanDerWaalsContact C-N 3.25Å; D1437-W1439 PolarHBondContact O-N 3.48Å; D1437-M1440 HydrophobicContact CB-CE 4.25Å |
| 1438 | K | 88.5 | Confident | 89.8 | Confident | 116 Ų | 116 | 66 Ų | 66 | 50% | 0.504 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -74.5 | -19.2 | -179.3 | -168.7 | -173 | 171.4 | -164.6 | 0 | 112.4 | H1435 P1436 | H1435-K1438 WeakPolarHBondContact O-CB 3.5Å; H1435-K1438 PolarHBondContact O-N 2.7Å; P1436-K1438 PolarHBondContact O-N 2.81Å |
| 1439 | W | 88.9 | Confident | 89.6 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 11% | 0.114 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -120.4 | 9.6 | -174.3 | -56.1 | 104 | 0 | 0 | 0 | 112.5 | W1404 A1407 V1433 H1435 P1436 D1437 S1441 T1442 E1445 A1448 | W1404-W1439 AromaticContact CZ2-CD1 3.99Å; W1404-W1439 AromaticContact CZ2-CD2 3.84Å; W1404-W1439 HydrophobicContact CZ2-CD2 3.84Å; W1404-W1439 AromaticContact CZ2-CE2 3.58Å; W1404-W1439 HydrophobicContact CZ2-CE3 4.42Å; W1404-W1439 HydrophobicContact CZ2-CG 4.11Å; W1404-W1439 AromaticContact CZ2-CZ2 3.94Å; W1404-W1439 HydrophobicContact CZ2-CZ2 3.94Å; W1404-W1439 AromaticContact CZ2-NE1 3.68Å; W1404-W1439 AromaticContact NE1-CD2 4Å; W1404-W1439 AromaticContact NE1-CE3 3.69Å; W1404-W1439 AromaticContact NE1-CH2 3.48Å; W1404-W1439 AromaticContact NE1-CZ2 3.78Å; W1404-W1439 AromaticContact NE1-CZ3 3.43Å; A1407-W1439 HydrophobicContact CB-CH2 4.39Å; A1407-W1439 HydrophobicContact CB-CZ2 4.14Å; V1433-W1439 PolarHBondContact O-NE1 3.27Å; H1435-W1439 VanDerWaalsContact O-CD1 3.3Å; P1436-W1439 CarbonylContact O-C 3.5Å; P1436-W1439 WeakPolarHBondContact O-CA 3.49Å; P1436-W1439 PolarHBondContact O-N 2.86Å; D1437-W1439 VanDerWaalsContact C-N 3.25Å; D1437-W1439 PolarHBondContact O-N 3.48Å; W1439-S1441 PolarHBondContact O-N 3.31Å; W1439-T1442 WeakPolarHBondContact O-CB 3.44Å; W1439-T1442 WeakPolarHBondContact O-CG2 3.34Å; W1439-T1442 PolarHBondContact O-N 2.88Å; W1439-T1442 PolarHBondContact O-OG1 2.81Å; W1439-E1445 WeakPolarHBondContact O-CB 3.47Å; W1439-A1448 HydrophobicContact CB-CB 4.19Å; W1439-A1448 HydrophobicContact CG-CB 4.09Å |
| 1440 | M | 81.2 | Confident | 89.5 | Confident | 116 Ų | 116 | 59.2 Ų | 59.2 | 57% | 0.571 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 136.7 | 175.2 | -79 | -171.5 | -57.1 | 0 | 0 | 111.5 | P1436 D1437 T1442 E1445 | P1436-M1440 PolarHBondContact O-N 3.13Å; D1437-M1440 HydrophobicContact CB-CE 4.25Å; M1440-T1442 PolarHBondContact O-N 2.94Å; M1440-E1445 VanDerWaalsContact CA-OE2 3.27Å; M1440-E1445 WeakPolarHBondContact CA-OE2 3.24Å |
| 1441 | S | 82 | Confident | 89.4 | Confident | 124 Ų | 124 | 59.2 Ų | 59.2 | 87% | 0.867 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 19.6 | -176.3 | -52.6 | 0 | 0 | 0 | 0 | 115 | W1439 E1445 | W1439-S1441 PolarHBondContact O-N 3.31Å; S1441-E1445 PolarHBondContact N-OE2 3.27Å |
| 1442 | T | 88.3 | Confident | 89.5 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 36% | 0.362 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -108.8 | 159.8 | 170.5 | 77.5 | 0 | 0 | 0 | 0 | 111.3 | W1439 M1440 H1444 E1445 | W1439-T1442 WeakPolarHBondContact O-CB 3.44Å; W1439-T1442 WeakPolarHBondContact O-CG2 3.34Å; W1439-T1442 PolarHBondContact O-N 2.88Å; W1439-T1442 PolarHBondContact O-OG1 2.81Å; M1440-T1442 PolarHBondContact O-N 2.94Å; T1442-H1444 PolarHBondContact O-N 2.83Å; T1442-H1444 PolarHBondContact OG1-N 3.38Å; T1442-E1445 PolarHBondContact O-N 3.39Å |
| 1443 | S | 87.9 | Confident | 89.3 | Confident | 98 Ų | 98 | 52 Ų | 52 | 69% | 0.685 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -3.7 | 174.4 | 57.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1444 | H | 89.8 | Confident | 89.3 | Confident | 56 Ų | 56 | 54 Ų | 54 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 3.5 | -177.1 | -51.7 | 115.6 | 0 | 0 | 0 | 113.1 | W1404 T1442 N1446 I1447 A1448 | W1404-H1444 AromaticContact CD1-CD2 3.63Å; W1404-H1444 AromaticContact CD1-CE1 3.63Å; W1404-H1444 AromaticContact CD1-CG 3.3Å; W1404-H1444 AromaticContact CD1-ND1 3.32Å; W1404-H1444 VanDerWaalsContact CD1-ND1 3.32Å; W1404-H1444 AromaticContact CD1-NE2 3.83Å; W1404-H1444 HydrophobicContact CD2-CB 3.84Å; W1404-H1444 AromaticContact CD2-CG 3.94Å; W1404-H1444 AromaticContact CE2-CG 3.92Å; W1404-H1444 HydrophobicContact CG-CB 4.05Å; W1404-H1444 AromaticContact CG-CD2 3.52Å; W1404-H1444 AromaticContact CG-CG 3.58Å; W1404-H1444 AromaticContact CG-NE2 3.92Å; W1404-H1444 HydrophobicContact CZ2-CB 4.03Å; W1404-H1444 AromaticContact NE1-CG 3.48Å; W1404-H1444 AromaticContact NE1-ND1 3.6Å; T1442-H1444 PolarHBondContact O-N 2.83Å; T1442-H1444 PolarHBondContact OG1-N 3.38Å; H1444-N1446 VanDerWaalsContact C-N 3.35Å; H1444-N1446 PolarHBondContact O-N 2.89Å; H1444-I1447 HydrophobicContact CB-CG2 4.12Å; H1444-I1447 VanDerWaalsContact O-CG2 3.29Å; H1444-I1447 WeakPolarHBondContact O-CG2 3.37Å; H1444-A1448 WeakPolarHBondContact O-CB 3.45Å; H1444-A1448 PolarHBondContact O-N 3.22Å |
| 1445 | E | 89 | Confident | 89.3 | Confident | 48 Ų | 48 | 54 Ų | 54 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | -175.5 | -162.8 | -165.2 | 112.6 | 0 | 0 | 112.9 | W1439 M1440 S1441 T1442 A1448 R1449 | W1439-E1445 WeakPolarHBondContact O-CB 3.47Å; M1440-E1445 VanDerWaalsContact CA-OE2 3.27Å; M1440-E1445 WeakPolarHBondContact CA-OE2 3.24Å; S1441-E1445 PolarHBondContact N-OE2 3.27Å; T1442-E1445 PolarHBondContact O-N 3.39Å; E1445-A1448 PolarHBondContact O-N 3.19Å; E1445-R1449 VanDerWaalsContact O-CB 3.29Å; E1445-R1449 WeakPolarHBondContact O-CB 3.49Å; E1445-R1449 PolarHBondContact O-N 3.43Å; E1445-R1449 IonicContact OE1-CZ 3.33Å; E1445-R1449 VanDerWaalsContact OE1-CZ 3.25Å; E1445-R1449 IonicContact OE1-NH1 2.75Å; E1445-R1449 PolarHBondContact OE1-NH1 2.97Å; E1445-R1449 IonicContact OE1-NH2 3.97Å; E1445-R1449 PolarHBondContact OE1-NH2 3.33Å |
| 1446 | N | 84.7 | Confident | 89.2 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72 | -53.1 | -177 | 177 | 61.3 | 0 | 0 | 0 | 111.8 | D1375 E1377 H1444 A1448 R1449 L1450 | D1375-N1446 PolarHBondContact OD2-ND2 2.96Å; E1377-N1446 VanDerWaalsContact OE2-CB 3.3Å; E1377-N1446 WeakPolarHBondContact OE2-CB 3.37Å; E1377-N1446 PolarHBondContact OE2-ND2 3.41Å; H1444-N1446 VanDerWaalsContact C-N 3.35Å; H1444-N1446 PolarHBondContact O-N 2.89Å; N1446-A1448 VanDerWaalsContact C-N 3.26Å; N1446-A1448 PolarHBondContact O-N 3.07Å; N1446-R1449 WeakPolarHBondContact O-CB 3.4Å; N1446-R1449 PolarHBondContact O-N 3.29Å; N1446-L1450 VanDerWaalsContact O-CG 3.3Å; N1446-L1450 WeakPolarHBondContact O-CG 3.47Å; N1446-L1450 PolarHBondContact O-N 2.67Å |
| 1447 | I | 91.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.9 | -35.4 | 170.5 | -172 | 169.3 | 0 | 0 | 0 | 113.3 | E1377 K1380 V1381 I1402 W1404 H1444 L1450 V1451 | E1377-I1447 HydrophobicContact CB-CB 4.42Å; E1377-I1447 PolarHBondContact OE2-N 2.8Å; K1380-I1447 HydrophobicContact CD-CD1 3.83Å; V1381-I1447 HydrophobicContact CG2-CG1 4.2Å; I1402-I1447 HydrophobicContact CD1-CD1 4.16Å; I1402-I1447 HydrophobicContact CG1-CD1 4.38Å; W1404-I1447 HydrophobicContact CD2-CG2 4.5Å; W1404-I1447 HydrophobicContact CE3-CD1 4.38Å; W1404-I1447 HydrophobicContact CE3-CG1 4.4Å; W1404-I1447 HydrophobicContact CE3-CG2 3.85Å; W1404-I1447 HydrophobicContact CZ3-CG1 4.2Å; W1404-I1447 HydrophobicContact CZ3-CG2 3.91Å; H1444-I1447 HydrophobicContact CB-CG2 4.12Å; H1444-I1447 VanDerWaalsContact O-CG2 3.29Å; H1444-I1447 WeakPolarHBondContact O-CG2 3.37Å; I1447-L1450 PolarHBondContact O-N 2.65Å; I1447-V1451 HydrophobicContact CG1-CG2 4.35Å; I1447-V1451 VanDerWaalsContact O-CG2 3.32Å; I1447-V1451 WeakPolarHBondContact O-CG2 3.47Å; I1447-V1451 PolarHBondContact O-N 3.22Å |
| 1448 | A | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -51.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1404 V1434 W1439 H1444 E1445 N1446 L1450 V1451 F1452 | W1404-A1448 HydrophobicContact CH2-CB 3.51Å; W1404-A1448 HydrophobicContact CZ2-CB 3.92Å; W1404-A1448 HydrophobicContact CZ3-CB 4.44Å; V1434-A1448 CarbonylContact O-C 3.22Å; W1439-A1448 HydrophobicContact CB-CB 4.19Å; W1439-A1448 HydrophobicContact CG-CB 4.09Å; H1444-A1448 WeakPolarHBondContact O-CB 3.45Å; H1444-A1448 PolarHBondContact O-N 3.22Å; E1445-A1448 PolarHBondContact O-N 3.19Å; N1446-A1448 VanDerWaalsContact C-N 3.26Å; N1446-A1448 PolarHBondContact O-N 3.07Å; A1448-L1450 VanDerWaalsContact C-N 3.31Å; A1448-L1450 PolarHBondContact O-N 2.82Å; A1448-V1451 PolarHBondContact O-N 2.99Å; A1448-F1452 VanDerWaalsContact O-CB 3.29Å; A1448-F1452 WeakPolarHBondContact O-CB 3.34Å; A1448-F1452 PolarHBondContact O-N 2.98Å |
| 1449 | R | 90.7 | Very high | 89.7 | Confident | 95 Ų | 95 | 45.5 Ų | 45.5 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53.6 | -46 | 175.2 | -179.5 | -177.8 | -76.9 | 109.7 | -1.8 | 111.5 | P1436 E1445 N1446 F1452 V1453 | P1436-R1449 HydrophobicContact CB-CB 4.32Å; E1445-R1449 VanDerWaalsContact O-CB 3.29Å; E1445-R1449 WeakPolarHBondContact O-CB 3.49Å; E1445-R1449 PolarHBondContact O-N 3.43Å; E1445-R1449 IonicContact OE1-CZ 3.33Å; E1445-R1449 VanDerWaalsContact OE1-CZ 3.25Å; E1445-R1449 IonicContact OE1-NH1 2.75Å; E1445-R1449 PolarHBondContact OE1-NH1 2.97Å; E1445-R1449 IonicContact OE1-NH2 3.97Å; E1445-R1449 PolarHBondContact OE1-NH2 3.33Å; N1446-R1449 WeakPolarHBondContact O-CB 3.4Å; N1446-R1449 PolarHBondContact O-N 3.29Å; R1449-F1452 PolarHBondContact O-N 3.21Å; R1449-V1453 WeakPolarHBondContact O-CG2 3.47Å; R1449-V1453 PolarHBondContact O-N 2.92Å; R1449-V1453 VanDerWaalsContact O-N 3.08Å |
| 1450 | L | 91.9 | Very high | 89.7 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 179.9 | -68.4 | 165.8 | 0 | 0 | 0 | 113.1 | E1377 Q1378 V1381 N1446 I1447 A1448 F1452 V1453 E1454 | E1377-L1450 HydrophobicContact CB-CD1 4.2Å; Q1378-L1450 HydrophobicContact CB-CD1 4.43Å; Q1378-L1450 HydrophobicContact CG-CD1 3.72Å; Q1378-L1450 HydrophobicContact CG-CD2 3.89Å; Q1378-L1450 HydrophobicContact CG-CG 4.48Å; V1381-L1450 HydrophobicContact CB-CB 4.36Å; V1381-L1450 HydrophobicContact CG1-CB 4.32Å; V1381-L1450 HydrophobicContact CG2-CB 3.87Å; V1381-L1450 HydrophobicContact CG2-CD1 4.47Å; N1446-L1450 VanDerWaalsContact O-CG 3.3Å; N1446-L1450 WeakPolarHBondContact O-CG 3.47Å; N1446-L1450 PolarHBondContact O-N 2.67Å; I1447-L1450 PolarHBondContact O-N 2.65Å; A1448-L1450 VanDerWaalsContact C-N 3.31Å; A1448-L1450 PolarHBondContact O-N 2.82Å; L1450-F1452 VanDerWaalsContact C-N 3.34Å; L1450-V1453 PolarHBondContact O-N 3.24Å; L1450-E1454 PolarHBondContact O-N 2.76Å |
| 1451 | V | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.4 | -33 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | V1381 W1384 L1399 I1402 V1434 I1447 A1448 L1455 | V1381-V1451 HydrophobicContact CG1-CG2 4.41Å; V1381-V1451 HydrophobicContact CG2-CG2 3.83Å; W1384-V1451 HydrophobicContact CH2-CG1 4.15Å; W1384-V1451 HydrophobicContact CZ3-CG1 4.31Å; L1399-V1451 HydrophobicContact CD1-CG1 3.58Å; I1402-V1451 HydrophobicContact CB-CG2 4.38Å; I1402-V1451 HydrophobicContact CG1-CG2 3.56Å; I1402-V1451 HydrophobicContact CG2-CG1 4.07Å; I1402-V1451 HydrophobicContact CG2-CG2 3.84Å; V1434-V1451 HydrophobicContact CG1-CG1 4.21Å; V1434-V1451 HydrophobicContact CG2-CG1 4.23Å; I1447-V1451 HydrophobicContact CG1-CG2 4.35Å; I1447-V1451 VanDerWaalsContact O-CG2 3.32Å; I1447-V1451 WeakPolarHBondContact O-CG2 3.47Å; I1447-V1451 PolarHBondContact O-N 3.22Å; A1448-V1451 PolarHBondContact O-N 2.99Å; V1451-L1455 HydrophobicContact CG1-CD1 4.25Å; V1451-L1455 WeakPolarHBondContact O-CG 3.49Å; V1451-L1455 PolarHBondContact O-N 3.4Å |
| 1452 | F | 94.6 | Very high | 90.2 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 174.3 | -173.9 | -105.7 | 0 | 0 | 0 | 112.2 | A1431 V1434 H1435 A1448 R1449 L1450 N1456 | A1431-F1452 HydrophobicContact CB-CD2 4.46Å; A1431-F1452 HydrophobicContact CB-CE2 3.96Å; V1434-F1452 HydrophobicContact CG2-CB 4Å; V1434-F1452 HydrophobicContact CG2-CD2 4.18Å; H1435-F1452 HydrophobicContact CB-CE2 4.44Å; H1435-F1452 AromaticContact CD2-CE2 3.46Å; H1435-F1452 VanDerWaalsContact CD2-CE2 3.46Å; H1435-F1452 WeakPolarHBondContact CD2-CE2 3.42Å; H1435-F1452 AromaticContact CD2-CZ 3.46Å; H1435-F1452 VanDerWaalsContact CD2-CZ 3.46Å; H1435-F1452 WeakPolarHBondContact CD2-CZ 3.46Å; H1435-F1452 AromaticContact NE2-CZ 3.65Å; A1448-F1452 VanDerWaalsContact O-CB 3.29Å; A1448-F1452 WeakPolarHBondContact O-CB 3.34Å; A1448-F1452 PolarHBondContact O-N 2.98Å; R1449-F1452 PolarHBondContact O-N 3.21Å; L1450-F1452 VanDerWaalsContact C-N 3.34Å; F1452-N1456 VanDerWaalsContact CD1-ND2 3.34Å; F1452-N1456 WeakPolarHBondContact CD1-ND2 3.45Å; F1452-N1456 WeakPolarHBondContact CE1-ND2 3.47Å; F1452-N1456 WeakPolarHBondContact O-CB 3.44Å; F1452-N1456 PolarHBondContact O-N 2.88Å; F1452-N1456 PolarHBondContact O-ND2 3.16Å; F1452-N1456 PolarHBondContact O-OD1 3.2Å |
| 1453 | V | 89.8 | Confident | 90 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -54.3 | 175.2 | 164.2 | 0 | 0 | 0 | 0 | 111.7 | L498 R1449 L1450 L1455 N1456 D1457 | L498-V1453 HydrophobicContact CD1-CB 4.37Å; L498-V1453 HydrophobicContact CD1-CG1 3.64Å; L498-V1453 HydrophobicContact CD1-CG2 3.73Å; L498-V1453 HydrophobicContact CD2-CG2 4.01Å; R1449-V1453 WeakPolarHBondContact O-CG2 3.47Å; R1449-V1453 PolarHBondContact O-N 2.92Å; R1449-V1453 VanDerWaalsContact O-N 3.08Å; L1450-V1453 PolarHBondContact O-N 3.24Å; V1453-L1455 VanDerWaalsContact C-N 3.28Å; V1453-L1455 PolarHBondContact O-N 2.81Å; V1453-N1456 WeakPolarHBondContact O-CB 3.44Å; V1453-N1456 PolarHBondContact O-N 3.36Å; V1453-D1457 PolarHBondContact O-N 2.93Å |
| 1454 | E | 91.5 | Very high | 89.6 | Confident | 56 Ų | 56 | 42 Ų | 42 | 26% | 0.262 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.5 | -39.1 | 179.8 | -82.5 | -65.3 | 150.4 | 0 | 0 | 112.5 | V1381 W1384 L1450 A1458 | V1381-E1454 HydrophobicContact CG1-CG 4.22Å; W1384-E1454 HydrophobicContact CZ3-CB 4.2Å; L1450-E1454 PolarHBondContact O-N 2.76Å; E1454-A1458 VanDerWaalsContact O-CB 3.23Å; E1454-A1458 WeakPolarHBondContact O-CB 3.28Å; E1454-A1458 PolarHBondContact O-N 3.32Å |
| 1455 | L | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 174.5 | -72.1 | 174.1 | 0 | 0 | 0 | 112.6 | L1392 L1395 L1396 L1399 Y1427 A1430 V1434 V1451 V1453 M1459 | L1392-L1455 HydrophobicContact CD1-CD2 4.1Å; L1395-L1455 HydrophobicContact CB-CD2 4.14Å; L1396-L1455 HydrophobicContact CD2-CD2 4.2Å; L1399-L1455 HydrophobicContact CD1-CD1 4.11Å; Y1427-L1455 HydrophobicContact CD2-CB 4.47Å; Y1427-L1455 HydrophobicContact CE2-CB 4.34Å; Y1427-L1455 WeakPolarHBondContact CE2-O 3.4Å; A1430-L1455 HydrophobicContact CB-CD1 3.86Å; V1434-L1455 HydrophobicContact CG2-CD1 4.01Å; V1451-L1455 HydrophobicContact CG1-CD1 4.25Å; V1451-L1455 WeakPolarHBondContact O-CG 3.49Å; V1451-L1455 PolarHBondContact O-N 3.4Å; V1453-L1455 VanDerWaalsContact C-N 3.28Å; V1453-L1455 PolarHBondContact O-N 2.81Å; L1455-M1459 VanDerWaalsContact O-CB 3.24Å; L1455-M1459 WeakPolarHBondContact O-CB 3.25Å; L1455-M1459 PolarHBondContact O-N 3.06Å |
| 1456 | N | 92.3 | Very high | 87.2 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 24% | 0.241 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.2 | -42.8 | 178.4 | -71.4 | -8.9 | 0 | 0 | 0 | 112.1 | Y1427 F1452 V1453 M1459 A1460 | Y1427-N1456 PolarHBondContact OH-OD1 2.93Å; F1452-N1456 VanDerWaalsContact CD1-ND2 3.34Å; F1452-N1456 WeakPolarHBondContact CD1-ND2 3.45Å; F1452-N1456 WeakPolarHBondContact CE1-ND2 3.47Å; F1452-N1456 WeakPolarHBondContact O-CB 3.44Å; F1452-N1456 PolarHBondContact O-N 2.88Å; F1452-N1456 PolarHBondContact O-ND2 3.16Å; F1452-N1456 PolarHBondContact O-OD1 3.2Å; V1453-N1456 WeakPolarHBondContact O-CB 3.44Å; V1453-N1456 PolarHBondContact O-N 3.36Å; N1456-M1459 WeakPolarHBondContact O-CB 3.46Å; N1456-M1459 PolarHBondContact O-N 3.31Å; N1456-A1460 WeakPolarHBondContact O-CB 3.28Å; N1456-A1460 PolarHBondContact O-N 3.39Å |
| 1457 | D | 87.8 | Confident | 85.5 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 32% | 0.316 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.2 | -41.3 | 177.6 | -79.6 | -39.7 | 0 | 0 | 0 | 111.6 | F495 V1453 M1459 A1460 E1461 | F495-D1457 VanDerWaalsContact CD2-OD2 3.28Å; F495-D1457 WeakPolarHBondContact CD2-OD2 3.26Å; F495-D1457 VanDerWaalsContact CE2-OD2 3.25Å; F495-D1457 WeakPolarHBondContact CE2-OD2 3.2Å; V1453-D1457 PolarHBondContact O-N 2.93Å; D1457-M1459 VanDerWaalsContact C-N 3.28Å; D1457-M1459 PolarHBondContact O-N 3.31Å; D1457-A1460 PolarHBondContact O-N 3.09Å; D1457-E1461 PolarHBondContact O-N 3.18Å |
| 1458 | A | 91.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -33.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1392 L1395 E1454 F1462 | L1392-A1458 HydrophobicContact CB-CB 3.99Å; L1392-A1458 HydrophobicContact CD1-CB 4.27Å; L1395-A1458 HydrophobicContact CD1-CB 3.64Å; E1454-A1458 VanDerWaalsContact O-CB 3.23Å; E1454-A1458 WeakPolarHBondContact O-CB 3.28Å; E1454-A1458 PolarHBondContact O-N 3.32Å; A1458-F1462 WeakPolarHBondContact O-CB 3.24Å; A1458-F1462 PolarHBondContact O-N 3.24Å |
| 1459 | M | 92 | Very high | 80.3 | Confident | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.2 | -40.9 | 172.4 | -178.8 | 73.2 | 173.9 | 0 | 0 | 112.5 | L1392 K1424 Y1427 L1455 N1456 D1457 E1461 F1462 D1463 | L1392-M1459 HydrophobicContact CD2-CB 4.22Å; L1392-M1459 HydrophobicContact CD2-SD 3.74Å; K1424-M1459 HydrophobicContact CB-CE 4.42Å; K1424-M1459 HydrophobicContact CD-CE 3.95Å; K1424-M1459 HydrophobicContact CG-CE 3.87Å; Y1427-M1459 HydrophobicContact CD1-CE 3.68Å; Y1427-M1459 HydrophobicContact CD1-CG 3.97Å; Y1427-M1459 HydrophobicContact CD1-SD 3.56Å; Y1427-M1459 VanDerWaalsContact CD1-SD 3.56Å; Y1427-M1459 HydrophobicContact CD2-CB 3.94Å; Y1427-M1459 HydrophobicContact CD2-CG 4.17Å; Y1427-M1459 HydrophobicContact CD2-SD 4.22Å; Y1427-M1459 HydrophobicContact CE1-CB 4.33Å; Y1427-M1459 HydrophobicContact CE1-CE 3.8Å; Y1427-M1459 HydrophobicContact CE1-CG 3.66Å; Y1427-M1459 HydrophobicContact CE1-SD 3.88Å; Y1427-M1459 HydrophobicContact CE2-CB 3.58Å; Y1427-M1459 HydrophobicContact CE2-CG 3.86Å; Y1427-M1459 HydrophobicContact CE2-SD 4.48Å; Y1427-M1459 HydrophobicContact CG-CB 4.44Å; Y1427-M1459 HydrophobicContact CG-CE 4.45Å; Y1427-M1459 HydrophobicContact CG-CG 4.21Å; Y1427-M1459 HydrophobicContact CG-SD 3.75Å; L1455-M1459 VanDerWaalsContact O-CB 3.24Å; L1455-M1459 WeakPolarHBondContact O-CB 3.25Å; L1455-M1459 PolarHBondContact O-N 3.06Å; N1456-M1459 WeakPolarHBondContact O-CB 3.46Å; N1456-M1459 PolarHBondContact O-N 3.31Å; D1457-M1459 VanDerWaalsContact C-N 3.28Å; D1457-M1459 PolarHBondContact O-N 3.31Å; M1459-E1461 VanDerWaalsContact C-N 3.28Å; M1459-E1461 PolarHBondContact O-N 2.94Å; M1459-F1462 PolarHBondContact O-N 3.03Å; M1459-F1462 HydrophobicContact SD-CD1 4.36Å; M1459-D1463 PolarHBondContact O-N 2.91Å |
| 1460 | A | 87.6 | Confident | 77.6 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64 | -33.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | N1456 D1457 K1464 | N1456-A1460 WeakPolarHBondContact O-CB 3.28Å; N1456-A1460 PolarHBondContact O-N 3.39Å; D1457-A1460 PolarHBondContact O-N 3.09Å; A1460-K1464 WeakPolarHBondContact O-CD 3.32Å; A1460-K1464 VanDerWaalsContact O-CG 3.28Å; A1460-K1464 WeakPolarHBondContact O-CG 3.5Å; A1460-K1464 PolarHBondContact O-N 2.68Å |
| 1461 | E | 84.6 | Confident | 76.9 | Confident | 57 Ų | 57 | 67.6 Ų | 67.6 | 27% | 0.266 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -77.2 | -39.7 | 172.2 | -167.4 | 155.1 | 139 | 0 | 0 | 112.7 | R1390 D1457 M1459 D1463 K1464 N1465 | R1390-E1461 HydrophobicContact CB-CB 4.44Å; R1390-E1461 HydrophobicContact CB-CG 4.45Å; R1390-E1461 WeakPolarHBondContact CD-OE2 3.47Å; R1390-E1461 WeakPolarHBondContact CG-OE2 3.33Å; R1390-E1461 IonicContact CZ-OE2 3.21Å; R1390-E1461 IonicContact NE-OE2 2.67Å; R1390-E1461 IonicContact NH1-OE2 3.34Å; R1390-E1461 PolarHBondContact NH1-OE2 3.23Å; D1457-E1461 PolarHBondContact O-N 3.18Å; M1459-E1461 VanDerWaalsContact C-N 3.28Å; M1459-E1461 PolarHBondContact O-N 2.94Å; E1461-D1463 PolarHBondContact O-N 3.37Å; E1461-K1464 PolarHBondContact O-N 2.61Å; E1461-N1465 WeakPolarHBondContact O-CB 3.3Å; E1461-N1465 PolarHBondContact O-N 2.68Å; E1461-N1465 PolarHBondContact O-ND2 2.91Å |
| 1462 | F | 88.7 | Confident | 76 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59 | -32.7 | 172.6 | -175.4 | -106.1 | 0 | 0 | 0 | 112.6 | L1392 R1420 V1423 K1424 A1458 M1459 | L1392-F1462 HydrophobicContact CB-CB 4.35Å; L1392-F1462 HydrophobicContact CD2-CB 3.99Å; L1392-F1462 HydrophobicContact CD2-CD1 3.98Å; L1392-F1462 HydrophobicContact CD2-CG 3.96Å; R1420-F1462 HydrophobicContact CB-CZ 4.44Å; R1420-F1462 HydrophobicContact CG-CE1 3.56Å; R1420-F1462 HydrophobicContact CG-CZ 3.54Å; R1420-F1462 PolarHBondContact NH2-O 2.66Å; V1423-F1462 HydrophobicContact CB-CE1 3.79Å; V1423-F1462 HydrophobicContact CB-CE2 4.35Å; V1423-F1462 HydrophobicContact CB-CZ 3.53Å; V1423-F1462 HydrophobicContact CG1-CD1 4.21Å; V1423-F1462 HydrophobicContact CG1-CE1 3.65Å; V1423-F1462 HydrophobicContact CG1-CE2 4.01Å; V1423-F1462 HydrophobicContact CG1-CZ 3.54Å; V1423-F1462 HydrophobicContact CG2-CE2 4.34Å; V1423-F1462 HydrophobicContact CG2-CZ 3.8Å; K1424-F1462 HydrophobicContact CG-CE1 4.29Å; A1458-F1462 WeakPolarHBondContact O-CB 3.24Å; A1458-F1462 PolarHBondContact O-N 3.24Å; M1459-F1462 PolarHBondContact O-N 3.03Å; M1459-F1462 HydrophobicContact SD-CD1 4.36Å |
| 1463 | D | 85.2 | Confident | 75 | Confident | 57 Ų | 57 | 73.2 Ų | 73.2 | 31% | 0.305 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -79 | -35.6 | 176.5 | -92 | -12.4 | 0 | 0 | 0 | 114.4 | R1420 K1424 M1459 E1461 N1465 V1466 | R1420-D1463 PolarHBondContact NH2-O 3.22Å; R1420-D1463 IonicContact NH2-OD1 3.62Å; K1424-D1463 WeakPolarHBondContact CE-OD1 3.48Å; K1424-D1463 IonicContact NZ-OD1 3.86Å; K1424-D1463 PolarHBondContact NZ-OD1 3.39Å; K1424-D1463 IonicContact NZ-OD2 3.34Å; K1424-D1463 PolarHBondContact NZ-OD2 3.1Å; M1459-D1463 PolarHBondContact O-N 2.91Å; E1461-D1463 PolarHBondContact O-N 3.37Å; D1463-N1465 VanDerWaalsContact C-N 3.29Å; D1463-N1465 PolarHBondContact O-N 2.97Å; D1463-V1466 VanDerWaalsContact O-CG2 3.26Å; D1463-V1466 WeakPolarHBondContact O-CG2 3.4Å |
| 1464 | K | 78.4 | Confident | 74.1 | Confident | 157 Ų | 157 | 75.8 Ų | 75.8 | 68% | 0.683 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.7 | -37.6 | 168.6 | -70.5 | 164.1 | -170.5 | 170.3 | 0 | 112.1 | A1460 E1461 V1466 | A1460-K1464 WeakPolarHBondContact O-CD 3.32Å; A1460-K1464 VanDerWaalsContact O-CG 3.28Å; A1460-K1464 WeakPolarHBondContact O-CG 3.5Å; A1460-K1464 PolarHBondContact O-N 2.68Å; E1461-K1464 PolarHBondContact O-N 2.61Å; K1464-V1466 PolarHBondContact O-N 3.09Å |
| 1465 | N | 71.4 | Confident | 73 | Confident | 85 Ų | 85 | 77 Ų | 77 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | trans | -77.9 | 64.3 | -179.1 | -73.5 | -37.5 | 0 | 0 | 0 | 113.1 | R1420 E1461 D1463 N1467 | R1420-N1465 PolarHBondContact NH2-O 2.74Å; E1461-N1465 WeakPolarHBondContact O-CB 3.3Å; E1461-N1465 PolarHBondContact O-N 2.68Å; E1461-N1465 PolarHBondContact O-ND2 2.91Å; D1463-N1465 VanDerWaalsContact C-N 3.29Å; D1463-N1465 PolarHBondContact O-N 2.97Å; N1465-N1467 VanDerWaalsContact C-N 3.3Å; N1465-N1467 PolarHBondContact O-N 3.07Å | ||
| 1466 | V | 58.4 | Low | 71.6 | Confident | 58 Ų | 58 | 82.1 Ų | 82.1 | 35% | 0.352 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22.3 | -179.5 | -178 | 0 | 0 | 0 | 0 | 113.7 | I111 D1463 K1464 | I111-V1466 HydrophobicContact CD1-CB 3.82Å; I111-V1466 HydrophobicContact CD1-CG1 4.18Å; I111-V1466 HydrophobicContact CD1-CG2 3.72Å; I111-V1466 HydrophobicContact CG1-CG1 4.46Å; D1463-V1466 VanDerWaalsContact O-CG2 3.26Å; D1463-V1466 WeakPolarHBondContact O-CG2 3.4Å; K1464-V1466 PolarHBondContact O-N 3.09Å |
| 1467 | N | 49.5 | Very low | 70.2 | Confident | 95 Ų | 95 | 84.8 Ų | 84.8 | 51% | 0.508 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 3.3 | -166.7 | -82.5 | -35.3 | 0 | 0 | 0 | 116.2 | N1465 N1469 | N1465-N1467 VanDerWaalsContact C-N 3.3Å; N1465-N1467 PolarHBondContact O-N 3.07Å; N1467-N1469 PolarHBondContact O-N 3.13Å |
| 1468 | N | 42.7 | Very low | 68.8 | Low | 138 Ų | 138 | 86.8 Ų | 86.8 | 74% | 0.738 | 44% | 0.441 | S | S | * | . | trans | -88.7 | 94.8 | 172.8 | -78.4 | 10.7 | 0 | 0 | 0 | 110.4 | ||||
| 1469 | N | 31.1 | Very low | 67 | Low | 141 Ų | 141 | 94 Ų | 94 | 75% | 0.754 | 48% | 0.477 | S | S | * | . | trans | -77.2 | 135.6 | 160.8 | -77.5 | -24.2 | 0 | 0 | 0 | 109.5 | N1467 | N1467-N1469 PolarHBondContact O-N 3.13Š| ||
| 1470 | F | 33.7 | Very low | 64.7 | Low | 239 Ų | 239 | 100.9 Ų | 100.9 | 100% | 1.048 | 51% | 0.513 | S | S | * | . | trans | 75.2 | 0 | -176.6 | -55.3 | -79 | 0 | 0 | 0 | 115.7 | R1393 | R1393-F1470 PolarHBondContact NH1-OXT 3.01Š|
Retrieved 1,470 of 1,470 residues in 2380.1 ms
(Link to these results)