| 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 | 51.4 | Low | 53.5 | Low | 242 Ų | 242 | 164 Ų | 164 | 100% | 1.192 | 87% | 0.872 | S | S | * | * | 0 | 91.7 | 0 | -68.8 | -58.6 | -173.5 | 0 | 0 | 109.3 | |||||
| 2 | Y | 35.7 | Very low | 53.9 | Low | 243 Ų | 243 | 163.8 Ų | 163.8 | 95% | 0.953 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 126.7 | 179.8 | -75 | -87.5 | 0 | 0 | 0 | 110.5 | ||
| 3 | R | 59.1 | Low | 54.3 | Low | 251 Ų | 251 | 161.2 Ų | 161.2 | 95% | 0.947 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 119.3 | 175.3 | -154.3 | 175.7 | -168.2 | 175.8 | 3.1 | 108.6 | ||
| 4 | A | 51.3 | Low | 54.3 | Low | 100 Ų | 100 | 154.1 Ų | 154.1 | 83% | 0.826 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 133.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A6 | A4-A6 PolarHBondContact O-N 3.45Š|
| 5 | R | 56.6 | Low | 54.1 | Low | 246 Ų | 246 | 150.9 Ų | 150.9 | 93% | 0.928 | 84% | 0.838 | S | S | * | * | trans | -76.5 | 113.3 | 173.4 | -170.3 | 178.7 | -172.1 | -162.9 | 2.6 | 108 | A7 | R5-A7 PolarHBondContact O-N 3.2Š| ||
| 6 | A | 57.8 | Low | 54.4 | Low | 93 Ų | 93 | 148.6 Ų | 148.6 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -61.7 | 119.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A4 R8 | A4-A6 PolarHBondContact O-N 3.45Å; A6-R8 PolarHBondContact O-N 3.2Å | ||
| 7 | A | 53.6 | Low | 54.5 | Low | 100 Ų | 100 | 143 Ų | 143 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -60.5 | 117.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | R5 A9 | R5-A7 PolarHBondContact O-N 3.2Å; A7-A9 PolarHBondContact O-N 3.21Å; A7-A9 VanDerWaalsContact O-N 3.11Å | ||
| 8 | R | 52.2 | Low | 54.9 | Low | 245 Ų | 245 | 146 Ų | 146 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -64.9 | 110 | 163.6 | -95.9 | -168.9 | 157.5 | -166.2 | -5.1 | 107 | A6 G10 | A6-R8 PolarHBondContact O-N 3.2Å; R8-G10 PolarHBondContact O-N 3.11Å | ||
| 9 | A | 57 | Low | 54.8 | Low | 101 Ų | 101 | 145.8 Ų | 145.8 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 122.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | A7 | A7-A9 PolarHBondContact O-N 3.21Å; A7-A9 VanDerWaalsContact O-N 3.11Å |
| 10 | G | 51.2 | Low | 55.1 | Low | 52 Ų | 52 | 142.1 Ų | 142.1 | 54% | 0.536 | 80% | 0.798 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 158.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | R8 E12 | R8-G10 PolarHBondContact O-N 3.11Å; G10-E12 PolarHBondContact O-N 3.23Å |
| 11 | P | 62.1 | Low | 56.1 | Low | 131 Ų | 131 | 142 Ų | 142 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 120 | 172.3 | 27 | -31.6 | 0 | 0 | 0 | 109.5 | P13 | P11-P13 WeakPolarHBondContact O-CD 3.47Š|
| 12 | E | 58.9 | Low | 57.3 | Low | 161 Ų | 161 | 133.4 Ų | 133.4 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 120.6 | 176.3 | -73.2 | -71.6 | 118.1 | 0 | 0 | 111.1 | G10 G14 | G10-E12 PolarHBondContact O-N 3.23Å; E12-G14 VanDerWaalsContact C-N 3.3Å; E12-G14 PolarHBondContact O-N 2.97Å |
| 13 | P | 59.3 | Low | 59.5 | Low | 130 Ų | 130 | 124.9 Ų | 124.9 | 84% | 0.844 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 81.3 | 176 | 32.6 | -32.3 | 0 | 0 | 0 | 109 | P11 | P11-P13 WeakPolarHBondContact O-CD 3.47Š|
| 14 | G | 53.5 | Low | 60.5 | Low | 62 Ų | 62 | 116.4 Ų | 116.4 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 172.5 | 16.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117 | E12 P16 | E12-G14 VanDerWaalsContact C-N 3.3Å; E12-G14 PolarHBondContact O-N 2.97Å; G14-P16 WeakPolarHBondContact O-CD 3.47Å; G14-P16 VanDerWaalsContact O-N 3.11Å |
| 15 | S | 52.4 | Low | 61.8 | Low | 107 Ų | 107 | 113 Ų | 113 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | trans | -67 | 111.3 | 173.1 | -79.4 | 0 | 0 | 0 | 0 | 109.4 | G17 | S15-G17 PolarHBondContact O-N 3.23Š| ||
| 16 | P | 58.1 | Low | 63.2 | Low | 113 Ų | 113 | 106.2 Ų | 106.2 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | trans | -56 | 130.2 | 165.3 | 25 | -30.9 | 0 | 0 | 0 | 106.2 | G14 R18 | G14-P16 WeakPolarHBondContact O-CD 3.47Å; G14-P16 VanDerWaalsContact O-N 3.11Å; P16-R18 PolarHBondContact O-N 3.38Å | ||
| 17 | G | 56.5 | Low | 64.4 | Low | 54 Ų | 54 | 104.4 Ų | 104.4 | 56% | 0.557 | 64% | 0.636 | S | S | * | * | trans | -43.7 | 136.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S15 F19 G20 | S15-G17 PolarHBondContact O-N 3.23Å; G17-F19 PolarHBondContact O-N 2.94Å; G17-G20 PolarHBondContact O-N 3.43Å | ||
| 18 | R | 61.4 | Low | 65.7 | Low | 197 Ų | 197 | 103.8 Ų | 103.8 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 3.5 | -169.8 | 82.2 | 170.9 | -155.4 | -107.7 | 1.8 | 116.5 | P16 I21 | P16-R18 PolarHBondContact O-N 3.38Å; R18-I21 WeakPolarHBondContact O-CG1 3.01Å |
| 19 | F | 53.4 | Low | 67.2 | Low | 142 Ų | 142 | 96 Ų | 96 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -16.1 | 174 | -56.1 | -74.2 | 0 | 0 | 0 | 112.7 | G17 I21 L22 | G17-F19 PolarHBondContact O-N 2.94Å; F19-I21 PolarHBondContact O-N 3.12Å; F19-L22 PolarHBondContact O-N 3.31Å |
| 20 | G | 60.3 | Low | 68.3 | Low | 71 Ų | 71 | 96.3 Ų | 96.3 | 73% | 0.732 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -7.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G17 | G17-G20 PolarHBondContact O-N 3.43Š|
| 21 | I | 77.3 | Confident | 69.4 | Low | 140 Ų | 140 | 94.8 Ų | 94.8 | 72% | 0.718 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -10 | 178.8 | 43.2 | 165.2 | 0 | 0 | 0 | 113.7 | R18 F19 | R18-I21 WeakPolarHBondContact O-CG1 3.01Å; F19-I21 PolarHBondContact O-N 3.12Å |
| 22 | L | 74.8 | Confident | 69.7 | Low | 63 Ų | 63 | 92.2 Ų | 92.2 | 33% | 0.33 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -100.5 | 131.3 | -175.8 | -60.7 | 178.5 | 0 | 0 | 0 | 111.1 | F19 Q26 L27 L30 | F19-L22 PolarHBondContact O-N 3.31Å; L22-Q26 HydrophobicContact CB-CB 4.3Å; L22-Q26 HydrophobicContact CD2-CB 4.25Å; L22-L27 HydrophobicContact CD1-CD1 4.17Å; L22-L30 HydrophobicContact CD1-CD2 4.25Å |
| 23 | S | 82.2 | Confident | 70.6 | Confident | 63 Ų | 63 | 88.2 Ų | 88.2 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | trans | -65.6 | 157.7 | 166.6 | 72 | 0 | 0 | 0 | 0 | 110.5 | G25 Q26 L27 | S23-G25 PolarHBondContact O-N 3.17Å; S23-G25 VanDerWaalsContact O-N 3.16Å; S23-Q26 PolarHBondContact O-N 3.4Å; S23-Q26 VanDerWaalsContact O-N 3.08Å; S23-Q26 WeakPolarHBondContact OG-CG 3.47Å; S23-Q26 PolarHBondContact OG-N 2.99Å; S23-L27 WeakPolarHBondContact O-CB 3.02Å; S23-L27 PolarHBondContact O-N 3.07Å | ||
| 24 | T | 80.1 | Confident | 70.9 | Confident | 74 Ų | 74 | 83.9 Ų | 83.9 | 45% | 0.454 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.8 | -31.6 | 175.5 | -44.5 | 0 | 0 | 0 | 0 | 112.3 | R28 L83 L87 | T24-R28 VanDerWaalsContact O-CB 3.29Å; T24-R28 WeakPolarHBondContact O-CB 3.34Å; T24-R28 PolarHBondContact O-N 2.93Å; T24-L83 HydrophobicContact CG2-CD1 3.77Å; T24-L87 HydrophobicContact CG2-CD2 3.96Å |
| 25 | G | 80.1 | Confident | 71.8 | Confident | 29 Ų | 29 | 85.5 Ų | 85.5 | 30% | 0.299 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.7 | -47.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S23 L27 R28 D29 | S23-G25 PolarHBondContact O-N 3.17Å; S23-G25 VanDerWaalsContact O-N 3.16Å; G25-L27 VanDerWaalsContact C-N 3.32Å; G25-L27 PolarHBondContact O-N 3.23Å; G25-R28 CarbonylContact O-C 3.56Å; G25-R28 WeakPolarHBondContact O-CA 3.32Å; G25-R28 VanDerWaalsContact O-CB 3.29Å; G25-R28 WeakPolarHBondContact O-CB 3.43Å; G25-R28 PolarHBondContact O-N 3.23Å; G25-R28 VanDerWaalsContact O-N 3.08Å; G25-D29 VanDerWaalsContact O-CG 3.24Å; G25-D29 PolarHBondContact O-N 3.5Å |
| 26 | Q | 84.9 | Confident | 73.2 | Confident | 102 Ų | 102 | 86.3 Ų | 86.3 | 48% | 0.477 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 176 | -71.5 | 166.4 | -17.7 | 0 | 0 | 112.4 | L22 S23 R28 D29 L30 | L22-Q26 HydrophobicContact CB-CB 4.3Å; L22-Q26 HydrophobicContact CD2-CB 4.25Å; S23-Q26 PolarHBondContact O-N 3.4Å; S23-Q26 VanDerWaalsContact O-N 3.08Å; S23-Q26 WeakPolarHBondContact OG-CG 3.47Å; S23-Q26 PolarHBondContact OG-N 2.99Å; Q26-R28 VanDerWaalsContact C-N 3.32Å; Q26-D29 PolarHBondContact O-N 3.39Å; Q26-L30 VanDerWaalsContact O-CB 3.29Å; Q26-L30 WeakPolarHBondContact O-CB 3.39Å; Q26-L30 PolarHBondContact O-N 2.88Å |
| 27 | L | 82.6 | Confident | 74.3 | Confident | 55 Ų | 55 | 82.8 Ų | 82.8 | 29% | 0.288 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 173.1 | -164.9 | 71.2 | 0 | 0 | 0 | 110 | L22 S23 G25 L31 L83 | L22-L27 HydrophobicContact CD1-CD1 4.17Å; S23-L27 WeakPolarHBondContact O-CB 3.02Å; S23-L27 PolarHBondContact O-N 3.07Å; G25-L27 VanDerWaalsContact C-N 3.32Å; G25-L27 PolarHBondContact O-N 3.23Å; L27-L31 HydrophobicContact CD1-CD1 3.79Å; L27-L31 HydrophobicContact CD2-CD1 4.45Å; L27-L31 HydrophobicContact CG-CD1 3.6Å; L27-L31 WeakPolarHBondContact O-CB 3.35Å; L27-L31 WeakPolarHBondContact O-CD1 3.49Å; L27-L31 PolarHBondContact O-N 3.45Å; L27-L83 HydrophobicContact CB-CD2 4.4Å; L27-L83 HydrophobicContact CD2-CD2 4.31Å; L27-L83 HydrophobicContact CG-CD2 4.21Å |
| 28 | R | 81.4 | Confident | 75.5 | Confident | 87 Ų | 87 | 82.5 Ų | 82.5 | 33% | 0.328 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 175.6 | -167.7 | -165.5 | 98.4 | -125.8 | -4.6 | 111.2 | T24 G25 Q26 L30 L31 Q32 L83 L87 | T24-R28 VanDerWaalsContact O-CB 3.29Å; T24-R28 WeakPolarHBondContact O-CB 3.34Å; T24-R28 PolarHBondContact O-N 2.93Å; G25-R28 CarbonylContact O-C 3.56Å; G25-R28 WeakPolarHBondContact O-CA 3.32Å; G25-R28 VanDerWaalsContact O-CB 3.29Å; G25-R28 WeakPolarHBondContact O-CB 3.43Å; G25-R28 PolarHBondContact O-N 3.23Å; G25-R28 VanDerWaalsContact O-N 3.08Å; Q26-R28 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 3.08Å; R28-L31 CarbonylContact O-C 3.56Å; R28-L31 PolarHBondContact O-N 3.21Å; R28-Q32 HydrophobicContact CG-CG 3.93Å; R28-Q32 VanDerWaalsContact NE-NE2 3.15Å; R28-Q32 WeakPolarHBondContact O-CA 3.34Å; R28-Q32 WeakPolarHBondContact O-CB 3.08Å; R28-Q32 WeakPolarHBondContact O-CG 3.25Å; R28-Q32 PolarHBondContact O-N 3.39Å; R28-L83 VanDerWaalsContact CA-CD2 3.46Å; R28-L83 HydrophobicContact CB-CD2 3.96Å; R28-L83 HydrophobicContact CG-CD2 4.4Å; R28-L87 HydrophobicContact CB-CD1 4.06Å; R28-L87 HydrophobicContact CG-CD1 3.59Å |
| 29 | D | 83.5 | Confident | 76.7 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | -176.9 | -61.7 | -26.6 | 0 | 0 | 0 | 111.2 | G25 Q26 L31 Q32 D33 | G25-D29 VanDerWaalsContact O-CG 3.24Å; G25-D29 PolarHBondContact O-N 3.5Å; Q26-D29 PolarHBondContact O-N 3.39Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-L31 PolarHBondContact O-N 3.31Å; D29-Q32 PolarHBondContact O-N 3.47Å; D29-D33 PolarHBondContact O-N 3.38Å; D29-D33 VanDerWaalsContact O-N 3.12Å |
| 30 | L | 79.8 | Confident | 78.3 | Confident | 107 Ų | 107 | 78.3 Ų | 78.3 | 56% | 0.56 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.1 | -35.2 | 176.8 | -173.3 | 64.7 | 0 | 0 | 0 | 112.9 | L22 Q26 R28 | L22-L30 HydrophobicContact CD1-CD2 4.25Å; Q26-L30 VanDerWaalsContact O-CB 3.29Å; Q26-L30 WeakPolarHBondContact O-CB 3.39Å; Q26-L30 PolarHBondContact O-N 2.88Å; R28-L30 PolarHBondContact O-N 3.08Å |
| 31 | L | 75.9 | Confident | 79.6 | Confident | 20 Ų | 20 | 76 Ų | 76 | 11% | 0.105 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -85.1 | -25.2 | 174.9 | -83.1 | 123.8 | 0 | 0 | 0 | 113.2 | L27 R28 D29 E34 Q79 A80 L83 | L27-L31 HydrophobicContact CD1-CD1 3.79Å; L27-L31 HydrophobicContact CD2-CD1 4.45Å; L27-L31 HydrophobicContact CG-CD1 3.6Å; L27-L31 WeakPolarHBondContact O-CB 3.35Å; L27-L31 WeakPolarHBondContact O-CD1 3.49Å; L27-L31 PolarHBondContact O-N 3.45Å; R28-L31 CarbonylContact O-C 3.56Å; R28-L31 PolarHBondContact O-N 3.21Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-L31 PolarHBondContact O-N 3.31Å; L31-E34 PolarHBondContact O-N 3.45Å; L31-Q79 HydrophobicContact CD2-CB 3.66Å; L31-A80 HydrophobicContact CB-CB 4.31Å; L31-A80 HydrophobicContact CD2-CB 4.16Å; L31-L83 HydrophobicContact CD1-CD2 4.26Å |
| 32 | Q | 68.4 | Low | 80.1 | Confident | 78 Ų | 78 | 76.3 Ų | 76.3 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -79 | -17.9 | 178.8 | -89.5 | -175.3 | -11.3 | 0 | 0 | 113.1 | R28 D29 E34 P35 | R28-Q32 HydrophobicContact CG-CG 3.93Å; R28-Q32 VanDerWaalsContact NE-NE2 3.15Å; R28-Q32 WeakPolarHBondContact O-CA 3.34Å; R28-Q32 WeakPolarHBondContact O-CB 3.08Å; R28-Q32 WeakPolarHBondContact O-CG 3.25Å; R28-Q32 PolarHBondContact O-N 3.39Å; D29-Q32 PolarHBondContact O-N 3.47Å; Q32-E34 PolarHBondContact O-N 2.92Å; Q32-P35 WeakPolarHBondContact O-CD 3.19Å |
| 33 | D | 76.5 | Confident | 81 | Confident | 77 Ų | 77 | 77.5 Ų | 77.5 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | trans | -62.4 | 27 | 157.6 | -91.8 | -7.1 | 0 | 0 | 0 | 112.4 | D29 P35 K36 L37 | D29-D33 PolarHBondContact O-N 3.38Å; D29-D33 VanDerWaalsContact O-N 3.12Å; D33-P35 VanDerWaalsContact C-CD 3.43Å; D33-K36 HydrophobicContact CB-CB 4.28Å; D33-K36 CarbonylContact O-C 3.52Å; D33-K36 WeakPolarHBondContact O-CA 3.26Å; D33-K36 VanDerWaalsContact O-CB 3.31Å; D33-K36 WeakPolarHBondContact O-CB 3.42Å; D33-K36 PolarHBondContact O-N 2.83Å; D33-K36 IonicContact OD2-NZ 3.41Å; D33-L37 PolarHBondContact O-N 3.09Å | ||
| 34 | E | 66.1 | Low | 81.4 | Confident | 39 Ų | 39 | 77.2 Ų | 77.2 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -42 | -50.7 | 168.8 | -107.6 | -74.9 | 137.2 | 0 | 0 | 113.1 | L31 Q32 K36 L37 D38 R77 A80 | L31-E34 PolarHBondContact O-N 3.45Å; Q32-E34 PolarHBondContact O-N 2.92Å; E34-K36 PolarHBondContact O-N 3.45Å; E34-L37 PolarHBondContact O-N 2.93Å; E34-D38 WeakPolarHBondContact O-CA 3.48Å; E34-D38 WeakPolarHBondContact O-CB 2.88Å; E34-D38 PolarHBondContact O-N 2.96Å; E34-R77 WeakPolarHBondContact OE1-CA 3.46Å; E34-A80 HydrophobicContact CG-CB 4.23Å |
| 35 | P | 72.6 | Confident | 81.9 | Confident | 95 Ų | 95 | 77.6 Ų | 77.6 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.5 | -29.3 | 179.4 | 24.8 | -34.2 | 0 | 0 | 0 | 112.2 | Q32 D33 R39 | Q32-P35 WeakPolarHBondContact O-CD 3.19Å; D33-P35 VanDerWaalsContact C-CD 3.43Å; P35-R39 WeakPolarHBondContact O-CB 3.35Å; P35-R39 PolarHBondContact O-N 3.5Å |
| 36 | K | 82.3 | Confident | 82.6 | Confident | 125 Ų | 125 | 82.1 Ų | 82.1 | 54% | 0.543 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -77.7 | -44.7 | 176.4 | -176.8 | -177.4 | 178.9 | -178 | 0 | 111.2 | D33 E34 R39 I40 | D33-K36 HydrophobicContact CB-CB 4.28Å; D33-K36 CarbonylContact O-C 3.52Å; D33-K36 WeakPolarHBondContact O-CA 3.26Å; D33-K36 VanDerWaalsContact O-CB 3.31Å; D33-K36 WeakPolarHBondContact O-CB 3.42Å; D33-K36 PolarHBondContact O-N 2.83Å; D33-K36 IonicContact OD2-NZ 3.41Å; E34-K36 PolarHBondContact O-N 3.45Å; K36-R39 PolarHBondContact O-N 3.1Å; K36-I40 HydrophobicContact CG-CD1 4.15Å; K36-I40 WeakPolarHBondContact O-CB 3.42Å; K36-I40 WeakPolarHBondContact O-CD1 3.2Å; K36-I40 WeakPolarHBondContact O-CG1 3.36Å; K36-I40 PolarHBondContact O-N 3.36Å |
| 37 | L | 79.5 | Confident | 83 | Confident | 39 Ų | 39 | 80.5 Ų | 80.5 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 175.9 | -69.9 | 175.9 | 0 | 0 | 0 | 111.6 | D33 E34 R39 I40 V41 | D33-L37 PolarHBondContact O-N 3.09Å; E34-L37 PolarHBondContact O-N 2.93Å; L37-R39 VanDerWaalsContact C-N 3.35Å; L37-I40 PolarHBondContact O-N 3.46Å; L37-V41 WeakPolarHBondContact O-CB 3.29Å; L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.33Å; L37-V41 PolarHBondContact O-N 2.84Å |
| 38 | D | 81.8 | Confident | 83.5 | Confident | 47 Ų | 47 | 79.8 Ų | 79.8 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 173.8 | -174.3 | 86.6 | 0 | 0 | 0 | 110.5 | E34 I40 V41 R42 R77 | E34-D38 WeakPolarHBondContact O-CA 3.48Å; E34-D38 WeakPolarHBondContact O-CB 2.88Å; E34-D38 PolarHBondContact O-N 2.96Å; D38-I40 PolarHBondContact O-N 3.42Å; D38-V41 PolarHBondContact O-N 3.44Å; D38-R42 WeakPolarHBondContact O-CB 3.35Å; D38-R42 PolarHBondContact O-N 3.22Å; D38-R42 IonicContact OD2-CZ 3.88Å; D38-R42 IonicContact OD2-NE 3.8Å; D38-R42 PolarHBondContact OD2-NE 2.89Å; D38-R42 IonicContact OD2-NH2 3.97Å; D38-R42 PolarHBondContact OD2-NH2 3.03Å; D38-R77 IonicContact OD1-NH1 3.12Å |
| 39 | R | 87.4 | Confident | 84.2 | Confident | 160 Ų | 160 | 79 Ų | 79 | 60% | 0.604 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | 172.9 | -176.4 | 175 | -173.5 | -151.9 | 1.1 | 111.8 | P35 K36 L37 R42 L43 | P35-R39 WeakPolarHBondContact O-CB 3.35Å; P35-R39 PolarHBondContact O-N 3.5Å; K36-R39 PolarHBondContact O-N 3.1Å; L37-R39 VanDerWaalsContact C-N 3.35Å; R39-R42 PolarHBondContact O-N 2.93Å; R39-L43 HydrophobicContact CG-CD1 3.81Å; R39-L43 HydrophobicContact CG-CG 4.25Å; R39-L43 VanDerWaalsContact O-CB 3.29Å; R39-L43 WeakPolarHBondContact O-CB 3.39Å; R39-L43 WeakPolarHBondContact O-CG 3.29Å; R39-L43 PolarHBondContact O-N 2.63Å |
| 40 | I | 86.6 | Confident | 84.8 | Confident | 92 Ų | 92 | 79.1 Ų | 79.1 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 177.1 | -71.3 | 162.5 | 0 | 0 | 0 | 110.6 | K36 L37 D38 R42 L43 S44 | K36-I40 HydrophobicContact CG-CD1 4.15Å; K36-I40 WeakPolarHBondContact O-CB 3.42Å; K36-I40 WeakPolarHBondContact O-CD1 3.2Å; K36-I40 WeakPolarHBondContact O-CG1 3.36Å; K36-I40 PolarHBondContact O-N 3.36Å; L37-I40 PolarHBondContact O-N 3.46Å; D38-I40 PolarHBondContact O-N 3.42Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 3.21Å; I40-L43 PolarHBondContact O-N 2.87Å; I40-S44 WeakPolarHBondContact O-CB 3.48Å; I40-S44 PolarHBondContact O-N 3.27Å |
| 41 | V | 88.1 | Confident | 85.6 | Confident | 21 Ų | 21 | 77 Ų | 77 | 13% | 0.127 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 177.7 | 166.8 | 0 | 0 | 0 | 0 | 110.7 | L37 D38 S44 R45 A73 | L37-V41 WeakPolarHBondContact O-CB 3.29Å; L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.33Å; L37-V41 PolarHBondContact O-N 2.84Å; D38-V41 PolarHBondContact O-N 3.44Å; V41-S44 PolarHBondContact O-N 3.48Å; V41-R45 VanDerWaalsContact O-CB 3.31Å; V41-R45 WeakPolarHBondContact O-CB 3.46Å; V41-R45 PolarHBondContact O-N 2.9Å; V41-A73 HydrophobicContact CB-CB 4.49Å; V41-A73 HydrophobicContact CG1-CB 3.68Å; V41-A73 HydrophobicContact CG2-CB 4.2Å |
| 42 | R | 88.5 | Confident | 86.6 | Confident | 148 Ų | 148 | 78 Ų | 78 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.3 | -44.8 | -178.8 | -167.2 | -165.8 | -36.9 | 164.2 | 8.9 | 111.6 | D38 R39 I40 R45 K46 | D38-R42 WeakPolarHBondContact O-CB 3.35Å; D38-R42 PolarHBondContact O-N 3.22Å; D38-R42 IonicContact OD2-CZ 3.88Å; D38-R42 IonicContact OD2-NE 3.8Å; D38-R42 PolarHBondContact OD2-NE 2.89Å; D38-R42 IonicContact OD2-NH2 3.97Å; D38-R42 PolarHBondContact OD2-NH2 3.03Å; R39-R42 PolarHBondContact O-N 2.93Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 3.21Å; R42-R45 PolarHBondContact O-N 2.96Å; R42-K46 WeakPolarHBondContact O-CB 3.29Å; R42-K46 PolarHBondContact O-N 3.33Å |
| 43 | L | 92.3 | Very high | 88 | Confident | 87 Ų | 87 | 80.9 Ų | 80.9 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 175.8 | -71.3 | 173.7 | 0 | 0 | 0 | 110.9 | R39 I40 R45 K46 V47 | R39-L43 HydrophobicContact CG-CD1 3.81Å; R39-L43 HydrophobicContact CG-CG 4.25Å; R39-L43 VanDerWaalsContact O-CB 3.29Å; R39-L43 WeakPolarHBondContact O-CB 3.39Å; R39-L43 WeakPolarHBondContact O-CG 3.29Å; R39-L43 PolarHBondContact O-N 2.63Å; I40-L43 PolarHBondContact O-N 2.87Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 3.45Å; L43-K46 PolarHBondContact O-N 3.5Å; L43-K46 VanDerWaalsContact O-N 3.17Å; L43-V47 WeakPolarHBondContact O-CB 3.45Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 3.37Å |
| 44 | S | 90.8 | Very high | 89 | Confident | 58 Ų | 58 | 83.2 Ų | 83.2 | 41% | 0.406 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 176.7 | -168 | 0 | 0 | 0 | 0 | 111.5 | I40 V41 Q48 | I40-S44 WeakPolarHBondContact O-CB 3.48Å; I40-S44 PolarHBondContact O-N 3.27Å; V41-S44 PolarHBondContact O-N 3.48Å; S44-Q48 WeakPolarHBondContact O-CB 3.32Å; S44-Q48 VanDerWaalsContact O-CG 3.26Å; S44-Q48 WeakPolarHBondContact O-CG 3.31Å; S44-Q48 PolarHBondContact O-N 3.41Å |
| 45 | R | 91.7 | Very high | 90.4 | Very high | 81 Ų | 81 | 84.3 Ų | 84.3 | 31% | 0.306 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 173.5 | -167.3 | -170.3 | -58.7 | -169.9 | 4.5 | 112.3 | V41 R42 L43 Q48 M49 F66 | V41-R45 VanDerWaalsContact O-CB 3.31Å; V41-R45 WeakPolarHBondContact O-CB 3.46Å; V41-R45 PolarHBondContact O-N 2.9Å; R42-R45 PolarHBondContact O-N 2.96Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 3.45Å; R45-Q48 PolarHBondContact O-N 3.29Å; R45-M49 VanDerWaalsContact O-CB 3.32Å; R45-M49 WeakPolarHBondContact O-CB 3.49Å; R45-M49 PolarHBondContact O-N 2.96Å; R45-F66 HydrophobicContact CG-CD2 3.88Å; R45-F66 HydrophobicContact CG-CE2 3.42Å; R45-F66 VanDerWaalsContact CG-CE2 3.42Å; R45-F66 HydrophobicContact CG-CZ 4.43Å |
| 46 | K | 93.3 | Very high | 91.5 | Very high | 125 Ų | 125 | 86.7 Ų | 86.7 | 54% | 0.543 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.1 | -49.1 | 178.3 | -177.9 | 176.6 | 171.9 | 179.4 | 0 | 110.3 | R42 L43 Q48 M49 E50 | R42-K46 WeakPolarHBondContact O-CB 3.29Å; R42-K46 PolarHBondContact O-N 3.33Å; L43-K46 PolarHBondContact O-N 3.5Å; L43-K46 VanDerWaalsContact O-N 3.17Å; K46-Q48 PolarHBondContact O-N 2.88Å; K46-M49 PolarHBondContact O-N 3.13Å; K46-E50 WeakPolarHBondContact CE-OE1 3Å; K46-E50 IonicContact NZ-OE1 2.76Å; K46-E50 WeakPolarHBondContact O-CG 3.21Å; K46-E50 PolarHBondContact O-N 3.25Å |
| 47 | V | 94.3 | Very high | 92.2 | Very high | 67 Ų | 67 | 82.4 Ų | 82.4 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.8 | 169.3 | 0 | 0 | 0 | 0 | 111.8 | L43 M49 E50 Q51 | L43-V47 WeakPolarHBondContact O-CB 3.45Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 3.37Å; V47-M49 VanDerWaalsContact C-N 3.32Å; V47-M49 PolarHBondContact O-N 2.89Å; V47-E50 PolarHBondContact O-N 2.84Å; V47-Q51 WeakPolarHBondContact O-CG 3.41Å; V47-Q51 PolarHBondContact O-N 3.26Å |
| 48 | Q | 92.9 | Very high | 93 | Very high | 41 Ų | 41 | 84 Ų | 84 | 19% | 0.192 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 176 | -74.8 | 173.6 | 9.6 | 0 | 0 | 112.5 | S44 R45 K46 L52 F62 | S44-Q48 WeakPolarHBondContact O-CB 3.32Å; S44-Q48 VanDerWaalsContact O-CG 3.26Å; S44-Q48 WeakPolarHBondContact O-CG 3.31Å; S44-Q48 PolarHBondContact O-N 3.41Å; R45-Q48 PolarHBondContact O-N 3.29Å; K46-Q48 PolarHBondContact O-N 2.88Å; Q48-L52 PolarHBondContact O-N 3.45Å; Q48-L52 VanDerWaalsContact O-N 3.08Å; Q48-F62 HydrophobicContact CB-CD2 4.33Å; Q48-F62 HydrophobicContact CB-CE2 4.19Å |
| 49 | M | 95.8 | Very high | 93.8 | Very high | 69 Ų | 69 | 86.4 Ų | 86.4 | 34% | 0.34 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.3 | -43 | 176.9 | -171.3 | 64.9 | 70.9 | 0 | 0 | 111.3 | R45 K46 V47 Q51 L52 L53 F62 F66 | R45-M49 VanDerWaalsContact O-CB 3.32Å; R45-M49 WeakPolarHBondContact O-CB 3.49Å; R45-M49 PolarHBondContact O-N 2.96Å; K46-M49 PolarHBondContact O-N 3.13Å; V47-M49 VanDerWaalsContact C-N 3.32Å; V47-M49 PolarHBondContact O-N 2.89Å; M49-Q51 PolarHBondContact O-N 2.84Å; M49-L52 PolarHBondContact O-N 2.79Å; M49-L52 HydrophobicContact SD-CD2 4.32Å; M49-L53 HydrophobicContact CG-CD1 4.14Å; M49-L53 HydrophobicContact CG-CG 4.44Å; M49-L53 VanDerWaalsContact O-CG 3.29Å; M49-L53 WeakPolarHBondContact O-CG 3.18Å; M49-L53 PolarHBondContact O-N 2.88Å; M49-F62 HydrophobicContact CE-CE2 4.4Å; M49-F62 HydrophobicContact CE-CZ 3.79Å; M49-F62 HydrophobicContact SD-CZ 4.23Å; M49-F66 HydrophobicContact CE-CE2 4.18Å |
| 50 | E | 96.7 | Very high | 94.2 | Very high | 85 Ų | 85 | 86 Ų | 86 | 40% | 0.397 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 175.9 | -74.5 | 169.3 | 173.7 | 0 | 0 | 111.1 | K46 V47 L52 L53 L54 | K46-E50 WeakPolarHBondContact CE-OE1 3Å; K46-E50 IonicContact NZ-OE1 2.76Å; K46-E50 WeakPolarHBondContact O-CG 3.21Å; K46-E50 PolarHBondContact O-N 3.25Å; V47-E50 PolarHBondContact O-N 2.84Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 3.37Å; E50-L53 PolarHBondContact O-N 3.36Å; E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 WeakPolarHBondContact O-CG 3.39Å; E50-L54 PolarHBondContact O-N 3.45Å |
| 51 | Q | 96.4 | Very high | 94.6 | Very high | 62 Ų | 62 | 84.1 Ų | 84.1 | 29% | 0.29 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 175.2 | -72.4 | 170.1 | 30.2 | 0 | 0 | 112.8 | V47 M49 G55 E56 Q57 | V47-Q51 WeakPolarHBondContact O-CG 3.41Å; V47-Q51 PolarHBondContact O-N 3.26Å; M49-Q51 PolarHBondContact O-N 2.84Å; Q51-G55 PolarHBondContact O-N 3.17Å; Q51-E56 HydrophobicContact CB-CB 4.27Å; Q51-E56 PolarHBondContact O-N 3.39Å; Q51-Q57 HydrophobicContact CB-CB 4.01Å; Q51-Q57 PolarHBondContact O-N 3.37Å; Q51-Q57 VanDerWaalsContact O-N 3.17Å |
| 52 | L | 96.8 | Very high | 95 | Very high | 42 Ų | 42 | 83.7 Ų | 83.7 | 22% | 0.22 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | 175.1 | 179.3 | 69.9 | 0 | 0 | 0 | 111.4 | Q48 M49 E50 L54 G55 L59 F62 | Q48-L52 PolarHBondContact O-N 3.45Å; Q48-L52 VanDerWaalsContact O-N 3.08Å; M49-L52 PolarHBondContact O-N 2.79Å; M49-L52 HydrophobicContact SD-CD2 4.32Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 3.37Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 2.86Å; L52-G55 PolarHBondContact O-N 3.38Å; L52-G55 VanDerWaalsContact O-N 3.07Å; L52-L59 HydrophobicContact CD1-CD1 4.35Å; L52-L59 HydrophobicContact CD2-CD1 4.48Å; L52-F62 HydrophobicContact CB-CD2 4.06Å; L52-F62 HydrophobicContact CB-CE2 4.43Å; L52-F62 HydrophobicContact CB-CG 4.43Å; L52-F62 HydrophobicContact CD1-CB 4.09Å; L52-F62 HydrophobicContact CD1-CG 4.26Å; L52-F62 HydrophobicContact CD2-CD1 3.75Å; L52-F62 HydrophobicContact CD2-CD2 3.99Å; L52-F62 HydrophobicContact CD2-CE1 3.84Å; L52-F62 HydrophobicContact CD2-CE2 4.08Å; L52-F62 HydrophobicContact CD2-CG 3.83Å; L52-F62 HydrophobicContact CD2-CZ 4Å; L52-F62 HydrophobicContact CG-CD2 4.48Å; L52-F62 HydrophobicContact CG-CG 4.4Å |
| 53 | L | 97.3 | Very high | 95.4 | Very high | 138 Ų | 138 | 79.8 Ų | 79.8 | 72% | 0.723 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.9 | -32.3 | -178.3 | -69.5 | 174.1 | 0 | 0 | 0 | 112.8 | M49 E50 G55 | M49-L53 HydrophobicContact CG-CD1 4.14Å; M49-L53 HydrophobicContact CG-CG 4.44Å; M49-L53 VanDerWaalsContact O-CG 3.29Å; M49-L53 WeakPolarHBondContact O-CG 3.18Å; M49-L53 PolarHBondContact O-N 2.88Å; E50-L53 PolarHBondContact O-N 3.36Å; L53-G55 VanDerWaalsContact C-N 3.26Å |
| 54 | L | 97.6 | Very high | 95.5 | Very high | 127 Ų | 127 | 78.1 Ų | 78.1 | 67% | 0.665 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.1 | 173.8 | -67.9 | 168.9 | 0 | 0 | 0 | 112.9 | E50 L52 E56 | E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 WeakPolarHBondContact O-CG 3.39Å; E50-L54 PolarHBondContact O-N 3.45Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 2.86Å; L54-E56 HydrophobicContact CB-CG 4.02Å; L54-E56 PolarHBondContact O-N 2.83Å |
| 55 | G | 96.1 | Very high | 95.6 | Very high | 62 Ų | 62 | 76.3 Ų | 76.3 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 8.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q51 L52 L53 Q57 | Q51-G55 PolarHBondContact O-N 3.17Å; L52-G55 PolarHBondContact O-N 3.38Å; L52-G55 VanDerWaalsContact O-N 3.07Å; L53-G55 VanDerWaalsContact C-N 3.26Å; G55-Q57 PolarHBondContact O-N 2.84Å |
| 56 | E | 96.6 | Very high | 95.7 | Very high | 144 Ų | 144 | 74.3 Ų | 74.3 | 67% | 0.673 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -70.1 | -19.8 | 175.5 | -63 | -178.7 | 175.8 | 0 | 0 | 112.4 | Q51 L54 | Q51-E56 HydrophobicContact CB-CB 4.27Å; Q51-E56 PolarHBondContact O-N 3.39Å; L54-E56 HydrophobicContact CB-CG 4.02Å; L54-E56 PolarHBondContact O-N 2.83Å |
| 57 | Q | 95.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 74.1 Ų | 74.1 | 16% | 0.164 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -127.1 | 134.6 | 177.4 | -173.3 | 174.2 | 107.4 | 0 | 0 | 110.8 | Q51 G55 A61 F62 | Q51-Q57 HydrophobicContact CB-CB 4.01Å; Q51-Q57 PolarHBondContact O-N 3.37Å; Q51-Q57 VanDerWaalsContact O-N 3.17Å; G55-Q57 PolarHBondContact O-N 2.84Å; Q57-A61 HydrophobicContact CG-CB 4.05Å; Q57-F62 HydrophobicContact CG-CB 4.32Å |
| 58 | S | 97.2 | Very high | 95.7 | Very high | 74 Ų | 74 | 78.6 Ų | 78.6 | 52% | 0.517 | 42% | 0.415 | S | S | . | . | trans | -73.6 | 152.1 | 173.8 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | E60 A61 F62 | S58-E60 VanDerWaalsContact C-N 3.25Å; S58-E60 PolarHBondContact O-N 3.26Å; S58-A61 PolarHBondContact O-N 3.49Å; S58-A61 VanDerWaalsContact O-N 3.12Å; S58-A61 WeakPolarHBondContact OG-CB 3.37Å; S58-A61 PolarHBondContact OG-N 3.46Å; S58-F62 WeakPolarHBondContact O-CB 3.27Å; S58-F62 PolarHBondContact O-N 3.32Å | ||
| 59 | L | 97 | Very high | 95.6 | Very high | 96 Ų | 96 | 78 Ų | 78 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.3 | -37.9 | 177.4 | -173.9 | 64.3 | 0 | 0 | 0 | 112.3 | L52 A61 F62 L63 | L52-L59 HydrophobicContact CD1-CD1 4.35Å; L52-L59 HydrophobicContact CD2-CD1 4.48Å; L59-A61 VanDerWaalsContact C-N 3.31Å; L59-A61 PolarHBondContact O-N 2.96Å; L59-F62 HydrophobicContact CD1-CD1 4.22Å; L59-F62 PolarHBondContact O-N 3.4Å; L59-L63 HydrophobicContact CD1-CD1 4.1Å; L59-L63 HydrophobicContact CD1-CD2 4.23Å; L59-L63 HydrophobicContact CD1-CG 3.84Å; L59-L63 HydrophobicContact CD2-CD1 4.38Å; L59-L63 HydrophobicContact CG-CD1 3.89Å; L59-L63 HydrophobicContact CG-CG 4.08Å; L59-L63 WeakPolarHBondContact O-CG 3.16Å; L59-L63 PolarHBondContact O-N 3.18Å |
| 60 | E | 97.2 | Very high | 95.4 | Very high | 152 Ų | 152 | 80.2 Ų | 80.2 | 71% | 0.71 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63 | -33.9 | 176.9 | -72.6 | -59.6 | 141.2 | 0 | 0 | 112.9 | S58 P64 | S58-E60 VanDerWaalsContact C-N 3.25Å; S58-E60 PolarHBondContact O-N 3.26Å; E60-P64 WeakPolarHBondContact O-CD 3.48Å; E60-P64 WeakPolarHBondContact O-CG 3.35Å |
| 61 | A | 94.4 | Very high | 95.2 | Very high | 52 Ų | 52 | 79.1 Ų | 79.1 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -78.7 | -37 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q57 S58 L59 | Q57-A61 HydrophobicContact CG-CB 4.05Å; S58-A61 PolarHBondContact O-N 3.49Å; S58-A61 VanDerWaalsContact O-N 3.12Å; S58-A61 WeakPolarHBondContact OG-CB 3.37Å; S58-A61 PolarHBondContact OG-N 3.46Å; L59-A61 VanDerWaalsContact C-N 3.31Å; L59-A61 PolarHBondContact O-N 2.96Å |
| 62 | F | 96.4 | Very high | 94.8 | Very high | 12 Ų | 12 | 79.6 Ų | 79.6 | 5% | 0.053 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.6 | -53.2 | -178.1 | 172.6 | -96.2 | 0 | 0 | 0 | 113.1 | Q48 M49 L52 Q57 S58 L59 A65 F66 | Q48-F62 HydrophobicContact CB-CD2 4.33Å; Q48-F62 HydrophobicContact CB-CE2 4.19Å; M49-F62 HydrophobicContact CE-CE2 4.4Å; M49-F62 HydrophobicContact CE-CZ 3.79Å; M49-F62 HydrophobicContact SD-CZ 4.23Å; L52-F62 HydrophobicContact CB-CD2 4.06Å; L52-F62 HydrophobicContact CB-CE2 4.43Å; L52-F62 HydrophobicContact CB-CG 4.43Å; L52-F62 HydrophobicContact CD1-CB 4.09Å; L52-F62 HydrophobicContact CD1-CG 4.26Å; L52-F62 HydrophobicContact CD2-CD1 3.75Å; L52-F62 HydrophobicContact CD2-CD2 3.99Å; L52-F62 HydrophobicContact CD2-CE1 3.84Å; L52-F62 HydrophobicContact CD2-CE2 4.08Å; L52-F62 HydrophobicContact CD2-CG 3.83Å; L52-F62 HydrophobicContact CD2-CZ 4Å; L52-F62 HydrophobicContact CG-CD2 4.48Å; L52-F62 HydrophobicContact CG-CG 4.4Å; Q57-F62 HydrophobicContact CG-CB 4.32Å; S58-F62 WeakPolarHBondContact O-CB 3.27Å; S58-F62 PolarHBondContact O-N 3.32Å; L59-F62 HydrophobicContact CD1-CD1 4.22Å; L59-F62 PolarHBondContact O-N 3.4Å; F62-A65 PolarHBondContact O-N 3.08Å; F62-A65 VanDerWaalsContact O-N 3.1Å; F62-F66 HydrophobicContact CD1-CB 4.32Å; F62-F66 HydrophobicContact CE1-CB 3.91Å; F62-F66 HydrophobicContact CE1-CD2 4.17Å; F62-F66 AromaticContact CE1-CG 3.98Å; F62-F66 HydrophobicContact CE1-CG 3.98Å; F62-F66 HydrophobicContact CE2-CB 4.12Å; F62-F66 AromaticContact CE2-CD2 3.88Å; F62-F66 HydrophobicContact CE2-CD2 3.88Å; F62-F66 HydrophobicContact CE2-CG 4.3Å; F62-F66 HydrophobicContact CZ-CB 3.8Å; F62-F66 AromaticContact CZ-CD2 3.4Å; F62-F66 HydrophobicContact CZ-CD2 3.4Å; F62-F66 HydrophobicContact CZ-CE2 4.03Å; F62-F66 AromaticContact CZ-CG 3.67Å; F62-F66 HydrophobicContact CZ-CG 3.67Å; F62-F66 WeakPolarHBondContact O-CB 3.47Å; F62-F66 PolarHBondContact O-N 3.08Å |
| 63 | L | 96.4 | Very high | 94.4 | Very high | 66 Ų | 66 | 78.5 Ų | 78.5 | 35% | 0.346 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.8 | -48.3 | -169.9 | -74.9 | 174.3 | 0 | 0 | 0 | 112.7 | L59 A65 F66 Q67 | L59-L63 HydrophobicContact CD1-CD1 4.1Å; L59-L63 HydrophobicContact CD1-CD2 4.23Å; L59-L63 HydrophobicContact CD1-CG 3.84Å; L59-L63 HydrophobicContact CD2-CD1 4.38Å; L59-L63 HydrophobicContact CG-CD1 3.89Å; L59-L63 HydrophobicContact CG-CG 4.08Å; L59-L63 WeakPolarHBondContact O-CG 3.16Å; L59-L63 PolarHBondContact O-N 3.18Å; L63-A65 PolarHBondContact O-N 2.87Å; L63-F66 PolarHBondContact O-N 2.98Å; L63-Q67 WeakPolarHBondContact O-CB 3.29Å; L63-Q67 WeakPolarHBondContact O-CG 3.33Å; L63-Q67 PolarHBondContact O-N 3.42Å |
| 64 | P | 95.3 | Very high | 94.2 | Very high | 52 Ų | 52 | 76.4 Ų | 76.4 | 34% | 0.338 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 178.1 | -21.6 | 34.6 | 0 | 0 | 0 | 112.6 | E60 R68 | E60-P64 WeakPolarHBondContact O-CD 3.48Å; E60-P64 WeakPolarHBondContact O-CG 3.35Å; P64-R68 VanDerWaalsContact CB-NH1 3.27Å; P64-R68 WeakPolarHBondContact O-CB 3.09Å; P64-R68 VanDerWaalsContact O-CG 3.25Å; P64-R68 WeakPolarHBondContact O-CG 3.41Å; P64-R68 PolarHBondContact O-N 2.91Å; P64-R68 VanDerWaalsContact O-N 3.09Å; P64-R68 PolarHBondContact O-NH1 3.01Å |
| 65 | A | 91.6 | Very high | 93.9 | Very high | 20 Ų | 20 | 74.7 Ų | 74.7 | 17% | 0.165 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F62 L63 R68 G69 | F62-A65 PolarHBondContact O-N 3.08Å; F62-A65 VanDerWaalsContact O-N 3.1Å; L63-A65 PolarHBondContact O-N 2.87Å; A65-R68 PolarHBondContact O-N 3.42Å; A65-G69 PolarHBondContact O-N 3.16Å |
| 66 | F | 93.7 | Very high | 93.4 | Very high | 40 Ų | 40 | 75.6 Ų | 75.6 | 18% | 0.175 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 178.6 | -178 | -91.8 | 0 | 0 | 0 | 111.9 | R45 M49 F62 L63 G69 R70 | R45-F66 HydrophobicContact CG-CD2 3.88Å; R45-F66 HydrophobicContact CG-CE2 3.42Å; R45-F66 VanDerWaalsContact CG-CE2 3.42Å; R45-F66 HydrophobicContact CG-CZ 4.43Å; M49-F66 HydrophobicContact CE-CE2 4.18Å; F62-F66 HydrophobicContact CD1-CB 4.32Å; F62-F66 HydrophobicContact CE1-CB 3.91Å; F62-F66 HydrophobicContact CE1-CD2 4.17Å; F62-F66 AromaticContact CE1-CG 3.98Å; F62-F66 HydrophobicContact CE1-CG 3.98Å; F62-F66 HydrophobicContact CE2-CB 4.12Å; F62-F66 AromaticContact CE2-CD2 3.88Å; F62-F66 HydrophobicContact CE2-CD2 3.88Å; F62-F66 HydrophobicContact CE2-CG 4.3Å; F62-F66 HydrophobicContact CZ-CB 3.8Å; F62-F66 AromaticContact CZ-CD2 3.4Å; F62-F66 HydrophobicContact CZ-CD2 3.4Å; F62-F66 HydrophobicContact CZ-CE2 4.03Å; F62-F66 AromaticContact CZ-CG 3.67Å; F62-F66 HydrophobicContact CZ-CG 3.67Å; F62-F66 WeakPolarHBondContact O-CB 3.47Å; F62-F66 PolarHBondContact O-N 3.08Å; L63-F66 PolarHBondContact O-N 2.98Å; F66-G69 PolarHBondContact O-N 3.49Å; F66-R70 WeakPolarHBondContact O-CB 3.39Å; F66-R70 PolarHBondContact O-N 2.66Å |
| 67 | Q | 94.9 | Very high | 92.9 | Very high | 121 Ų | 121 | 74.1 Ų | 74.1 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 178.1 | -72.2 | 175.6 | 25.9 | 0 | 0 | 111.6 | L63 G69 R70 A71 | L63-Q67 WeakPolarHBondContact O-CB 3.29Å; L63-Q67 WeakPolarHBondContact O-CG 3.33Å; L63-Q67 PolarHBondContact O-N 3.42Å; Q67-G69 PolarHBondContact O-N 2.84Å; Q67-R70 PolarHBondContact O-N 3.02Å; Q67-A71 WeakPolarHBondContact O-CB 3.44Å; Q67-A71 PolarHBondContact O-N 3.07Å |
| 68 | R | 93.2 | Very high | 92.7 | Very high | 160 Ų | 160 | 75.9 Ų | 75.9 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.7 | -46.9 | 174.8 | -75.7 | -172.1 | -57.2 | -95.1 | 3.1 | 111.7 | P64 A65 R70 A71 L72 | P64-R68 VanDerWaalsContact CB-NH1 3.27Å; P64-R68 WeakPolarHBondContact O-CB 3.09Å; P64-R68 VanDerWaalsContact O-CG 3.25Å; P64-R68 WeakPolarHBondContact O-CG 3.41Å; P64-R68 PolarHBondContact O-N 2.91Å; P64-R68 VanDerWaalsContact O-N 3.09Å; P64-R68 PolarHBondContact O-NH1 3.01Å; A65-R68 PolarHBondContact O-N 3.42Å; R68-R70 VanDerWaalsContact C-N 3.3Å; R68-R70 PolarHBondContact O-N 3.13Å; R68-A71 PolarHBondContact O-N 3.27Å; R68-L72 WeakPolarHBondContact O-CB 3.5Å; R68-L72 PolarHBondContact O-N 3.49Å |
| 69 | G | 90.5 | Very high | 92.2 | Very high | 29 Ų | 29 | 76.9 Ų | 76.9 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A65 F66 Q67 A73 | A65-G69 PolarHBondContact O-N 3.16Å; F66-G69 PolarHBondContact O-N 3.49Å; Q67-G69 PolarHBondContact O-N 2.84Å; G69-A73 WeakPolarHBondContact O-CB 3.13Å; G69-A73 PolarHBondContact O-N 3.31Å; G69-A73 VanDerWaalsContact O-N 3.13Å |
| 70 | R | 92.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 72.5 Ų | 72.5 | 44% | 0.438 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.2 | -48 | 176.9 | -172.5 | 176.9 | -176.5 | 112.6 | 1.3 | 112.3 | F66 Q67 R68 L72 A73 H74 | F66-R70 WeakPolarHBondContact O-CB 3.39Å; F66-R70 PolarHBondContact O-N 2.66Å; Q67-R70 PolarHBondContact O-N 3.02Å; R68-R70 VanDerWaalsContact C-N 3.3Å; R68-R70 PolarHBondContact O-N 3.13Å; R70-L72 VanDerWaalsContact C-N 3.34Å; R70-L72 PolarHBondContact O-N 3.12Å; R70-A73 PolarHBondContact O-N 3.33Å; R70-H74 PolarHBondContact O-CD2 2.96Å; R70-H74 PolarHBondContact O-N 2.73Å; R70-H74 VanDerWaalsContact O-N 3.13Å |
| 71 | A | 92.6 | Very high | 91.2 | Very high | 61 Ų | 61 | 69.9 Ų | 69.9 | 50% | 0.504 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q67 R68 A73 H74 L75 | Q67-A71 WeakPolarHBondContact O-CB 3.44Å; Q67-A71 PolarHBondContact O-N 3.07Å; R68-A71 PolarHBondContact O-N 3.27Å; A71-A73 VanDerWaalsContact C-N 3.32Å; A71-A73 PolarHBondContact O-N 3.42Å; A71-H74 PolarHBondContact O-N 3.29Å; A71-L75 WeakPolarHBondContact O-CB 3.12Å; A71-L75 PolarHBondContact O-N 2.76Å |
| 72 | L | 88.9 | Confident | 91.1 | Very high | 73 Ų | 73 | 73 Ų | 73 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 178.6 | -177.3 | 61.9 | 0 | 0 | 0 | 112.5 | R68 R70 L75 R76 | R68-L72 WeakPolarHBondContact O-CB 3.5Å; R68-L72 PolarHBondContact O-N 3.49Å; R70-L72 VanDerWaalsContact C-N 3.34Å; R70-L72 PolarHBondContact O-N 3.12Å; L72-L75 PolarHBondContact O-N 3.41Å; L72-R76 HydrophobicContact CD1-CG 4.49Å; L72-R76 WeakPolarHBondContact O-CG 3.5Å; L72-R76 PolarHBondContact O-N 3.29Å |
| 73 | A | 88.1 | Confident | 90.6 | Very high | 18 Ų | 18 | 73.5 Ų | 73.5 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64 | -46.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V41 G69 R70 A71 L75 R76 R77 | V41-A73 HydrophobicContact CB-CB 4.49Å; V41-A73 HydrophobicContact CG1-CB 3.68Å; V41-A73 HydrophobicContact CG2-CB 4.2Å; G69-A73 WeakPolarHBondContact O-CB 3.13Å; G69-A73 PolarHBondContact O-N 3.31Å; G69-A73 VanDerWaalsContact O-N 3.13Å; R70-A73 PolarHBondContact O-N 3.33Å; A71-A73 VanDerWaalsContact C-N 3.32Å; A71-A73 PolarHBondContact O-N 3.42Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-L75 PolarHBondContact O-N 3.1Å; A73-R76 PolarHBondContact O-N 3.44Å; A73-R77 PolarHBondContact O-N 2.78Å |
| 74 | H | 92.8 | Very high | 90.2 | Very high | 95 Ų | 95 | 74.9 Ų | 74.9 | 44% | 0.44 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.3 | -73.7 | -64.2 | 0 | 0 | 0 | 111.7 | R70 A71 R76 R77 T78 | R70-H74 PolarHBondContact O-CD2 2.96Å; R70-H74 PolarHBondContact O-N 2.73Å; R70-H74 VanDerWaalsContact O-N 3.13Å; A71-H74 PolarHBondContact O-N 3.29Å; H74-R76 PolarHBondContact O-N 3.2Å; H74-R77 PolarHBondContact O-N 3.47Å; H74-T78 PolarHBondContact O-N 2.94Å; H74-T78 PolarHBondContact O-OG1 3.46Å; H74-T78 VanDerWaalsContact O-OG1 3.12Å |
| 75 | L | 90.3 | Very high | 90.1 | Very high | 90 Ų | 90 | 75.4 Ų | 75.4 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 178 | -179.7 | 63.2 | 0 | 0 | 0 | 111.9 | A71 L72 A73 R77 T78 Q79 | A71-L75 WeakPolarHBondContact O-CB 3.12Å; A71-L75 PolarHBondContact O-N 2.76Å; L72-L75 PolarHBondContact O-N 3.41Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-L75 PolarHBondContact O-N 3.1Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 3.31Å; L75-T78 PolarHBondContact O-N 2.92Å; L75-Q79 HydrophobicContact CD1-CG 4.31Å; L75-Q79 HydrophobicContact CG-CG 4.45Å; L75-Q79 WeakPolarHBondContact O-CB 3.29Å; L75-Q79 VanDerWaalsContact O-CG 3.27Å; L75-Q79 WeakPolarHBondContact O-CG 3.36Å; L75-Q79 PolarHBondContact O-N 3.12Å |
| 76 | R | 86.1 | Confident | 90 | Very high | 81 Ų | 81 | 78.7 Ų | 78.7 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 179 | -75.3 | 174.4 | 175.7 | 163.4 | -0.8 | 112 | L72 A73 H74 Q79 A80 | L72-R76 HydrophobicContact CD1-CG 4.49Å; L72-R76 WeakPolarHBondContact O-CG 3.5Å; L72-R76 PolarHBondContact O-N 3.29Å; A73-R76 PolarHBondContact O-N 3.44Å; H74-R76 PolarHBondContact O-N 3.2Å; R76-Q79 PolarHBondContact O-N 3.35Å; R76-A80 WeakPolarHBondContact O-CB 3.49Å; R76-A80 PolarHBondContact O-N 3.46Å |
| 77 | R | 86.6 | Confident | 89.7 | Confident | 114 Ų | 114 | 78.1 Ų | 78.1 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 175.8 | -160.5 | -171.3 | -145 | 94.5 | 1.2 | 111.3 | E34 D38 A73 H74 L75 Q79 A80 E81 | E34-R77 WeakPolarHBondContact OE1-CA 3.46Å; D38-R77 IonicContact OD1-NH1 3.12Å; A73-R77 PolarHBondContact O-N 2.78Å; H74-R77 PolarHBondContact O-N 3.47Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 3.31Å; R77-Q79 PolarHBondContact O-N 3.47Å; R77-A80 PolarHBondContact O-N 3.14Å; R77-E81 VanDerWaalsContact O-CG 3.3Å; R77-E81 WeakPolarHBondContact O-CG 3.41Å; R77-E81 PolarHBondContact O-N 2.9Å |
| 78 | T | 91.2 | Very high | 89.5 | Confident | 71 Ų | 71 | 78.1 Ų | 78.1 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | H74 L75 E81 K82 | H74-T78 PolarHBondContact O-N 2.94Å; H74-T78 PolarHBondContact O-OG1 3.46Å; H74-T78 VanDerWaalsContact O-OG1 3.12Å; L75-T78 PolarHBondContact O-N 2.92Å; T78-E81 PolarHBondContact O-N 2.86Å; T78-K82 HydrophobicContact CG2-CG 4.44Å; T78-K82 WeakPolarHBondContact O-CB 3.26Å; T78-K82 VanDerWaalsContact O-CG 3.26Å; T78-K82 WeakPolarHBondContact O-CG 3.44Å; T78-K82 PolarHBondContact O-N 2.97Å |
| 79 | Q | 87.8 | Confident | 89.5 | Confident | 95 Ų | 95 | 77.6 Ų | 77.6 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.7 | -75.9 | 176.7 | -8.8 | 0 | 0 | 111.6 | L31 L75 R76 R77 K82 L83 | L31-Q79 HydrophobicContact CD2-CB 3.66Å; L75-Q79 HydrophobicContact CD1-CG 4.31Å; L75-Q79 HydrophobicContact CG-CG 4.45Å; L75-Q79 WeakPolarHBondContact O-CB 3.29Å; L75-Q79 VanDerWaalsContact O-CG 3.27Å; L75-Q79 WeakPolarHBondContact O-CG 3.36Å; L75-Q79 PolarHBondContact O-N 3.12Å; R76-Q79 PolarHBondContact O-N 3.35Å; R77-Q79 PolarHBondContact O-N 3.47Å; Q79-K82 PolarHBondContact O-N 2.98Å; Q79-L83 WeakPolarHBondContact O-CB 3.49Å; Q79-L83 PolarHBondContact O-N 3.3Å |
| 80 | A | 84.1 | Confident | 89.4 | Confident | 5 Ų | 5 | 84.7 Ų | 84.7 | 4% | 0.041 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L31 E34 R76 R77 K82 L83 Q84 | L31-A80 HydrophobicContact CB-CB 4.31Å; L31-A80 HydrophobicContact CD2-CB 4.16Å; E34-A80 HydrophobicContact CG-CB 4.23Å; R76-A80 WeakPolarHBondContact O-CB 3.49Å; R76-A80 PolarHBondContact O-N 3.46Å; R77-A80 PolarHBondContact O-N 3.14Å; A80-K82 VanDerWaalsContact C-N 3.34Å; A80-K82 PolarHBondContact O-N 3.37Å; A80-L83 PolarHBondContact O-N 2.92Å; A80-Q84 WeakPolarHBondContact O-CB 3.28Å; A80-Q84 VanDerWaalsContact O-CG 3.28Å; A80-Q84 WeakPolarHBondContact O-CG 3.42Å; A80-Q84 PolarHBondContact O-N 3.44Å |
| 81 | E | 88 | Confident | 89.2 | Confident | 97 Ų | 97 | 85.1 Ų | 85.1 | 45% | 0.453 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 175.8 | -73.1 | 166.6 | -171.2 | 0 | 0 | 111.7 | R77 T78 Q84 E85 | R77-E81 VanDerWaalsContact O-CG 3.3Å; R77-E81 WeakPolarHBondContact O-CG 3.41Å; R77-E81 PolarHBondContact O-N 2.9Å; T78-E81 PolarHBondContact O-N 2.86Å; E81-Q84 PolarHBondContact O-N 3.23Å; E81-E85 WeakPolarHBondContact O-CB 3.3Å; E81-E85 PolarHBondContact O-N 2.96Å |
| 82 | K | 91.8 | Very high | 89.1 | Confident | 116 Ų | 116 | 89.1 Ų | 89.1 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 179.1 | -70.9 | -70.6 | 150.9 | -159.7 | 0 | 112.4 | T78 Q79 A80 E85 V86 | T78-K82 HydrophobicContact CG2-CG 4.44Å; T78-K82 WeakPolarHBondContact O-CB 3.26Å; T78-K82 VanDerWaalsContact O-CG 3.26Å; T78-K82 WeakPolarHBondContact O-CG 3.44Å; T78-K82 PolarHBondContact O-N 2.97Å; Q79-K82 PolarHBondContact O-N 2.98Å; A80-K82 VanDerWaalsContact C-N 3.34Å; A80-K82 PolarHBondContact O-N 3.37Å; K82-E85 IonicContact NZ-OE2 2.83Å; K82-E85 PolarHBondContact NZ-OE2 3.37Å; K82-E85 PolarHBondContact O-N 3.29Å; K82-V86 WeakPolarHBondContact O-CG2 3.41Å; K82-V86 PolarHBondContact O-N 2.88Å |
| 83 | L | 87.3 | Confident | 88.7 | Confident | 23 Ų | 23 | 90.4 Ų | 90.4 | 12% | 0.12 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 175.8 | -176.6 | 56.6 | 0 | 0 | 0 | 111.4 | T24 L27 R28 L31 Q79 A80 E85 V86 L87 | T24-L83 HydrophobicContact CG2-CD1 3.77Å; L27-L83 HydrophobicContact CB-CD2 4.4Å; L27-L83 HydrophobicContact CD2-CD2 4.31Å; L27-L83 HydrophobicContact CG-CD2 4.21Å; R28-L83 VanDerWaalsContact CA-CD2 3.46Å; R28-L83 HydrophobicContact CB-CD2 3.96Å; R28-L83 HydrophobicContact CG-CD2 4.4Å; L31-L83 HydrophobicContact CD1-CD2 4.26Å; Q79-L83 WeakPolarHBondContact O-CB 3.49Å; Q79-L83 PolarHBondContact O-N 3.3Å; A80-L83 PolarHBondContact O-N 2.92Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 3.26Å; L83-V86 PolarHBondContact O-N 3.27Å; L83-L87 HydrophobicContact CD1-CD1 4.27Å; L83-L87 HydrophobicContact CD1-CG 4.34Å; L83-L87 HydrophobicContact CG-CD1 4.15Å; L83-L87 WeakPolarHBondContact O-CB 3.25Å; L83-L87 VanDerWaalsContact O-CG 3.25Å; L83-L87 WeakPolarHBondContact O-CG 3.31Å; L83-L87 PolarHBondContact O-N 3.06Å |
| 84 | Q | 88.3 | Confident | 88.1 | Confident | 96 Ų | 96 | 93.2 Ų | 93.2 | 45% | 0.449 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 173.9 | -71.6 | 176.4 | 20.1 | 0 | 0 | 111.7 | A80 E81 L87 R88 | A80-Q84 WeakPolarHBondContact O-CB 3.28Å; A80-Q84 VanDerWaalsContact O-CG 3.28Å; A80-Q84 WeakPolarHBondContact O-CG 3.42Å; A80-Q84 PolarHBondContact O-N 3.44Å; E81-Q84 PolarHBondContact O-N 3.23Å; Q84-L87 PolarHBondContact O-N 3.32Å; Q84-R88 VanDerWaalsContact O-CB 3.31Å; Q84-R88 WeakPolarHBondContact O-CB 3.32Å; Q84-R88 PolarHBondContact O-N 3.43Å |
| 85 | E | 91.3 | Very high | 86.3 | Confident | 62 Ų | 62 | 95.6 Ų | 95.6 | 29% | 0.29 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 177.9 | -173.5 | -179.9 | 179 | 0 | 0 | 112.2 | E81 K82 L83 R88 R89 | E81-E85 WeakPolarHBondContact O-CB 3.3Å; E81-E85 PolarHBondContact O-N 2.96Å; K82-E85 IonicContact NZ-OE2 2.83Å; K82-E85 PolarHBondContact NZ-OE2 3.37Å; K82-E85 PolarHBondContact O-N 3.29Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 3.26Å; E85-R88 PolarHBondContact O-N 3.45Å; E85-R89 WeakPolarHBondContact O-CB 3.25Å; E85-R89 VanDerWaalsContact O-CG 3.25Å; E85-R89 WeakPolarHBondContact O-CG 3.45Å; E85-R89 PolarHBondContact O-N 3.36Å; E85-R89 IonicContact OE1-CZ 3.36Å; E85-R89 IonicContact OE1-NE 3.5Å; E85-R89 PolarHBondContact OE1-NE 3.22Å; E85-R89 VanDerWaalsContact OE1-NE 3.12Å; E85-R89 IonicContact OE1-NH2 2.73Å; E85-R89 PolarHBondContact OE1-NH2 3.31Å |
| 86 | V | 90.3 | Very high | 84.7 | Confident | 89 Ų | 89 | 96.1 Ų | 96.1 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 178.9 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | K82 L83 R89 R90 | K82-V86 WeakPolarHBondContact O-CG2 3.41Å; K82-V86 PolarHBondContact O-N 2.88Å; L83-V86 PolarHBondContact O-N 3.27Å; V86-R89 PolarHBondContact O-N 3.43Å; V86-R90 PolarHBondContact O-N 3.41Å |
| 87 | L | 88.3 | Confident | 83.2 | Confident | 29 Ų | 29 | 94.7 Ų | 94.7 | 15% | 0.152 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 178.4 | -68.6 | 174.6 | 0 | 0 | 0 | 111.5 | T24 R28 L83 Q84 R89 R90 E91 | T24-L87 HydrophobicContact CG2-CD2 3.96Å; R28-L87 HydrophobicContact CB-CD1 4.06Å; R28-L87 HydrophobicContact CG-CD1 3.59Å; L83-L87 HydrophobicContact CD1-CD1 4.27Å; L83-L87 HydrophobicContact CD1-CG 4.34Å; L83-L87 HydrophobicContact CG-CD1 4.15Å; L83-L87 WeakPolarHBondContact O-CB 3.25Å; L83-L87 VanDerWaalsContact O-CG 3.25Å; L83-L87 WeakPolarHBondContact O-CG 3.31Å; L83-L87 PolarHBondContact O-N 3.06Å; Q84-L87 PolarHBondContact O-N 3.32Å; L87-R89 VanDerWaalsContact C-N 3.31Å; L87-R89 PolarHBondContact O-N 2.93Å; L87-R90 WeakPolarHBondContact O-CB 3.35Å; L87-R90 PolarHBondContact O-N 3.05Å; L87-R90 VanDerWaalsContact O-N 3.13Å; L87-E91 WeakPolarHBondContact O-CG 3.49Å; L87-E91 PolarHBondContact O-N 2.76Å |
| 88 | R | 90.3 | Very high | 81.8 | Confident | 120 Ų | 120 | 94.7 Ų | 94.7 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 176.8 | -161.9 | -165.1 | 78.5 | 158.4 | -4.9 | 112.7 | Q84 E85 R92 | Q84-R88 VanDerWaalsContact O-CB 3.31Å; Q84-R88 WeakPolarHBondContact O-CB 3.32Å; Q84-R88 PolarHBondContact O-N 3.43Å; E85-R88 PolarHBondContact O-N 3.45Å; R88-R92 VanDerWaalsContact CZ-NH1 3.29Å; R88-R92 VanDerWaalsContact NH2-CZ 3.33Å; R88-R92 WeakPolarHBondContact O-CG 3.48Å; R88-R92 PolarHBondContact O-N 3.03Å; R88-R92 VanDerWaalsContact O-N 3.13Å |
| 89 | R | 92.4 | Very high | 80.1 | Confident | 150 Ų | 150 | 96.3 Ų | 96.3 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 174.8 | -76.1 | 171.8 | -177.9 | -86.5 | 2.1 | 110.8 | E85 V86 L87 R92 S93 | E85-R89 WeakPolarHBondContact O-CB 3.25Å; E85-R89 VanDerWaalsContact O-CG 3.25Å; E85-R89 WeakPolarHBondContact O-CG 3.45Å; E85-R89 PolarHBondContact O-N 3.36Å; E85-R89 IonicContact OE1-CZ 3.36Å; E85-R89 IonicContact OE1-NE 3.5Å; E85-R89 PolarHBondContact OE1-NE 3.22Å; E85-R89 VanDerWaalsContact OE1-NE 3.12Å; E85-R89 IonicContact OE1-NH2 2.73Å; E85-R89 PolarHBondContact OE1-NH2 3.31Å; V86-R89 PolarHBondContact O-N 3.43Å; L87-R89 VanDerWaalsContact C-N 3.31Å; L87-R89 PolarHBondContact O-N 2.93Å; R89-R92 PolarHBondContact O-N 2.92Å; R89-S93 PolarHBondContact O-N 3.38Å; R89-S93 PolarHBondContact O-OG 2.97Å; R89-S93 VanDerWaalsContact O-OG 3.11Å |
| 90 | R | 89.3 | Confident | 78.4 | Confident | 178 Ų | 178 | 95.7 Ų | 95.7 | 67% | 0.672 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -45.7 | 177 | -173 | 179.4 | -179.4 | -158.8 | -0.4 | 111.9 | V86 L87 R92 S93 A94 | V86-R90 PolarHBondContact O-N 3.41Å; L87-R90 WeakPolarHBondContact O-CB 3.35Å; L87-R90 PolarHBondContact O-N 3.05Å; L87-R90 VanDerWaalsContact O-N 3.13Å; R90-R92 VanDerWaalsContact C-N 3.34Å; R90-R92 PolarHBondContact O-N 3.12Å; R90-S93 VanDerWaalsContact CA-OG 3.3Å; R90-S93 WeakPolarHBondContact CA-OG 3.3Å; R90-S93 PolarHBondContact O-N 2.73Å; R90-S93 PolarHBondContact O-OG 3.27Å; R90-A94 WeakPolarHBondContact O-CB 3.42Å; R90-A94 PolarHBondContact O-N 2.83Å |
| 91 | E | 87.9 | Confident | 76.7 | Confident | 125 Ų | 125 | 98.8 Ų | 98.8 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.8 | -45.8 | 176.6 | -71.9 | 162.4 | -169.6 | 0 | 0 | 111.5 | L87 S93 A94 Q95 | L87-E91 WeakPolarHBondContact O-CG 3.49Å; L87-E91 PolarHBondContact O-N 2.76Å; E91-S93 PolarHBondContact O-N 2.92Å; E91-A94 PolarHBondContact O-N 3.46Å; E91-Q95 PolarHBondContact O-N 2.99Å; E91-Q95 VanDerWaalsContact O-N 3.14Å |
| 92 | R | 89.6 | Confident | 74.8 | Confident | 145 Ų | 145 | 97.3 Ų | 97.3 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 176.7 | -75.3 | 174.9 | -176 | -168.4 | -7.4 | 114 | R88 R89 R90 A94 Q95 | R88-R92 VanDerWaalsContact CZ-NH1 3.29Å; R88-R92 VanDerWaalsContact NH2-CZ 3.33Å; R88-R92 WeakPolarHBondContact O-CG 3.48Å; R88-R92 PolarHBondContact O-N 3.03Å; R88-R92 VanDerWaalsContact O-N 3.13Å; R89-R92 PolarHBondContact O-N 2.92Å; R90-R92 VanDerWaalsContact C-N 3.34Å; R90-R92 PolarHBondContact O-N 3.12Å; R92-A94 PolarHBondContact O-N 3.13Å; R92-Q95 PolarHBondContact O-N 3.11Å |
| 93 | S | 80.5 | Confident | 72.7 | Confident | 100 Ų | 100 | 94.5 Ų | 94.5 | 70% | 0.699 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71.9 | -21.5 | 175.6 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | R89 R90 E91 | R89-S93 PolarHBondContact O-N 3.38Å; R89-S93 PolarHBondContact O-OG 2.97Å; R89-S93 VanDerWaalsContact O-OG 3.11Å; R90-S93 VanDerWaalsContact CA-OG 3.3Å; R90-S93 WeakPolarHBondContact CA-OG 3.3Å; R90-S93 PolarHBondContact O-N 2.73Å; R90-S93 PolarHBondContact O-OG 3.27Å; E91-S93 PolarHBondContact O-N 2.92Å |
| 94 | A | 76.2 | Confident | 70.8 | Confident | 76 Ų | 76 | 96.4 Ų | 96.4 | 63% | 0.628 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -90.9 | -7.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R90 E91 R92 P96 | R90-A94 WeakPolarHBondContact O-CB 3.42Å; R90-A94 PolarHBondContact O-N 2.83Å; E91-A94 PolarHBondContact O-N 3.46Å; R92-A94 PolarHBondContact O-N 3.13Å; A94-P96 VanDerWaalsContact O-CD 3.28Å; A94-P96 WeakPolarHBondContact O-CD 3.45Å |
| 95 | Q | 55.3 | Low | 68.9 | Low | 146 Ų | 146 | 94.9 Ų | 94.9 | 68% | 0.682 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -87.5 | 109.9 | -179 | -163.7 | 162.7 | -0 | 0 | 0 | 109.8 | E91 R92 | E91-Q95 PolarHBondContact O-N 2.99Å; E91-Q95 VanDerWaalsContact O-N 3.14Å; R92-Q95 PolarHBondContact O-N 3.11Å |
| 96 | P | 55.2 | Low | 66.8 | Low | 101 Ų | 101 | 95.2 Ų | 95.2 | 66% | 0.656 | 56% | 0.557 | S | S | * | * | trans | -66.8 | 139.6 | 174.4 | 28.4 | -31.6 | 0 | 0 | 0 | 108.9 | A94 | A94-P96 VanDerWaalsContact O-CD 3.28Å; A94-P96 WeakPolarHBondContact O-CD 3.45Å | ||
| 97 | A | 55.3 | Low | 64.6 | Low | 50 Ų | 50 | 94.4 Ų | 94.4 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | trans | -54.4 | 133.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T99 T100 | A97-T99 PolarHBondContact O-N 3.36Å; A97-T100 PolarHBondContact O-N 3Å; A97-T100 PolarHBondContact O-OG1 3.35Å | ||
| 98 | P | 57.6 | Low | 62.6 | Low | 114 Ų | 114 | 96.8 Ų | 96.8 | 74% | 0.74 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.3 | -12.7 | -178.9 | 24.6 | -33.7 | 0 | 0 | 0 | 113.4 | ||
| 99 | T | 55.3 | Low | 60.6 | Low | 106 Ų | 106 | 97 Ų | 97 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.9 | -22 | 175.3 | 43.7 | 0 | 0 | 0 | 0 | 114 | A97 A103 | A97-T99 PolarHBondContact O-N 3.36Å; T99-A103 VanDerWaalsContact O-CB 3.22Å; T99-A103 WeakPolarHBondContact O-CB 3.35Å; T99-A103 PolarHBondContact O-N 3.36Å |
| 100 | T | 51.9 | Low | 58.2 | Low | 82 Ų | 82 | 93.8 Ų | 93.8 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -86 | -29.3 | -179.7 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | A97 A104 | A97-T100 PolarHBondContact O-N 3Å; A97-T100 PolarHBondContact O-OG1 3.35Å; T100-A104 WeakPolarHBondContact O-CB 3.17Å; T100-A104 PolarHBondContact O-N 3.46Å |
| 101 | A | 48.8 | Very low | 55.9 | Low | 69 Ų | 69 | 94.5 Ų | 94.5 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.1 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A105 | A101-A105 VanDerWaalsContact O-CB 3.31Å; A101-A105 WeakPolarHBondContact O-CB 3.22Å; A101-A105 PolarHBondContact O-N 3.19Å |
| 102 | A | 47 | Very low | 53.9 | Low | 66 Ų | 66 | 95.7 Ų | 95.7 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.4 | -38.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A106 | A102-A106 WeakPolarHBondContact O-CB 3.28Å; A102-A106 PolarHBondContact O-N 3.45Å |
| 103 | A | 48.4 | Very low | 52.1 | Low | 58 Ų | 58 | 94.1 Ų | 94.1 | 48% | 0.479 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.5 | -37 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T99 A106 A107 | T99-A103 VanDerWaalsContact O-CB 3.22Å; T99-A103 WeakPolarHBondContact O-CB 3.35Å; T99-A103 PolarHBondContact O-N 3.36Å; A103-A106 PolarHBondContact O-N 2.96Å; A103-A107 WeakPolarHBondContact O-CB 3.31Å; A103-A107 PolarHBondContact O-N 3.13Å |
| 104 | A | 48.5 | Very low | 50.4 | Low | 63 Ų | 63 | 95.5 Ų | 95.5 | 52% | 0.521 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.3 | -36.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T100 A107 A108 | T100-A104 WeakPolarHBondContact O-CB 3.17Å; T100-A104 PolarHBondContact O-N 3.46Å; A104-A107 PolarHBondContact O-N 3.49Å; A104-A108 PolarHBondContact O-N 3.14Å |
| 105 | A | 47.8 | Very low | 48.8 | Very low | 64 Ų | 64 | 101.3 Ų | 101.3 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.3 | -33.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A101 T109 | A101-A105 VanDerWaalsContact O-CB 3.31Å; A101-A105 WeakPolarHBondContact O-CB 3.22Å; A101-A105 PolarHBondContact O-N 3.19Å; A105-T109 PolarHBondContact O-OG1 3.49Å |
| 106 | A | 47 | Very low | 48.9 | Very low | 68 Ų | 68 | 99 Ų | 99 | 56% | 0.562 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.6 | -33 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A102 A103 A108 | A102-A106 WeakPolarHBondContact O-CB 3.28Å; A102-A106 PolarHBondContact O-N 3.45Å; A103-A106 PolarHBondContact O-N 2.96Å; A106-A108 VanDerWaalsContact C-N 3.34Å |
| 107 | A | 44.9 | Very low | 48.2 | Very low | 72 Ų | 72 | 103.7 Ų | 103.7 | 60% | 0.595 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.8 | -22.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A103 A104 T109 | A103-A107 WeakPolarHBondContact O-CB 3.31Å; A103-A107 PolarHBondContact O-N 3.13Å; A104-A107 PolarHBondContact O-N 3.49Å; A107-T109 VanDerWaalsContact C-N 3.31Å; A107-T109 PolarHBondContact O-N 3.05Å |
| 108 | A | 45.8 | Very low | 48.4 | Very low | 80 Ų | 80 | 106.9 Ų | 106.9 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -8.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A104 A106 | A104-A108 PolarHBondContact O-N 3.14Å; A106-A108 VanDerWaalsContact C-N 3.34Å |
| 109 | T | 47 | Very low | 47.5 | Very low | 125 Ų | 125 | 106.1 Ų | 106.1 | 77% | 0.767 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 0.9 | -179.2 | -43.4 | 0 | 0 | 0 | 0 | 113.4 | A105 A107 | A105-T109 PolarHBondContact O-OG1 3.49Å; A107-T109 VanDerWaalsContact C-N 3.31Å; A107-T109 PolarHBondContact O-N 3.05Å |
| 110 | A | 42.4 | Very low | 46.6 | Very low | 82 Ų | 82 | 106 Ų | 106 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | trans | -120 | 77.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | D112 | A110-D112 PolarHBondContact O-N 3.06Š| ||
| 111 | M | 42.3 | Very low | 46.1 | Very low | 192 Ų | 192 | 106.4 Ų | 106.4 | 95% | 0.946 | 70% | 0.703 | S | S | * | * | trans | -77.2 | 106.7 | 159.3 | -83.6 | -164.7 | 73.7 | 0 | 0 | 109.1 | ||||
| 112 | D | 44.6 | Very low | 45.8 | Very low | 151 Ų | 151 | 109.6 Ų | 109.6 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | trans | -148.7 | 133.9 | 150.1 | -158.5 | 28.3 | 0 | 0 | 0 | 108.5 | A110 | A110-D112 PolarHBondContact O-N 3.06Š| ||
| 113 | P | 53.1 | Low | 45.6 | Very low | 111 Ų | 111 | 114 Ų | 114 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 145 | -166.8 | 35.7 | -28.2 | 0 | 0 | 0 | 112.1 | ||
| 114 | P | 43.1 | Very low | 45.9 | Very low | 130 Ų | 130 | 116.8 Ų | 116.8 | 84% | 0.844 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 139.9 | 160.1 | 28.7 | -17.3 | 0 | 0 | 0 | 112.6 | ||
| 115 | K | 44.5 | Very low | 45.6 | Very low | 197 Ų | 197 | 120.9 Ų | 120.9 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 149.2 | -178.5 | -153.5 | 157.6 | -173.6 | 164.9 | 0 | 112.5 | ||
| 116 | P | 56.2 | Low | 45.4 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 146.3 | -177.2 | 35.4 | -31.3 | 0 | 0 | 0 | 111.5 | ||
| 117 | F | 41 | Very low | 45.4 | Very low | 199 Ų | 199 | 123 Ų | 123 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | trans | -175.5 | 157.7 | 144.5 | -84.8 | -55.2 | 0 | 0 | 0 | 110.2 | ||||
| 118 | P | 59 | Low | 45.3 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -124.6 | 174.4 | -134.6 | 40.2 | -24.9 | 0 | 0 | 0 | 116.9 | ||||
| 119 | A | 39.8 | Very low | 45.6 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | 71.5 | 118.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 120 | A | 34.7 | Very low | 45.6 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | -170.4 | 143.6 | 110.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 121 | A | 42.4 | Very low | 46.8 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -30.6 | 155.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 122 | V | 41.4 | Very low | 48 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | -166.8 | 133.6 | 65.3 | 170.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 123 | L | 44.3 | Very low | 48.6 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -95 | 175.5 | 156.3 | -68.7 | 171.9 | 0 | 0 | 0 | 108.4 | ||||
| 124 | P | 54.8 | Low | 48.8 | Very low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | cis | -125.4 | -167.2 | -46.8 | 34.7 | -15.9 | 0 | 0 | 0 | 110 | ||||
| 125 | T | 41.6 | Very low | 49.8 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | trans | 122.7 | 136.5 | 153 | -136.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 126 | G | 42.8 | Very low | 50.5 | Low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 157.6 | 61 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A128 | G126-A128 PolarHBondContact O-N 3Š| ||
| 127 | A | 48.5 | Very low | 50.8 | Low | 107 Ų | 107 | 127.7 Ų | 127.7 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | trans | -61.5 | 125.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 128 | A | 43.1 | Very low | 51.7 | Low | 100 Ų | 100 | 124 Ų | 124 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -134.5 | 96.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | G126 G130 | G126-A128 PolarHBondContact O-N 3Å; A128-G130 PolarHBondContact O-N 2.92Å | ||
| 129 | R | 51.5 | Low | 52.2 | Low | 254 Ų | 254 | 124.4 Ų | 124.4 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -63.7 | 101.4 | 169 | 175.7 | 175.6 | 162.1 | 173.7 | -5.4 | 108.9 | ||||
| 130 | G | 47.6 | Very low | 53.3 | Low | 63 Ų | 63 | 124.9 Ų | 124.9 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 131.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A128 | A128-G130 PolarHBondContact O-N 2.92Š|
| 131 | P | 66.3 | Low | 54.7 | Low | 118 Ų | 118 | 125.4 Ų | 125.4 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 142 | 172.8 | 27.3 | -29.6 | 0 | 0 | 0 | 110.6 | ||
| 132 | P | 68.2 | Low | 55.3 | Low | 116 Ų | 116 | 129.2 Ų | 129.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 141 | 176.4 | 29.2 | -32.9 | 0 | 0 | 0 | 110.8 | ||
| 133 | P | 57.6 | Low | 56.2 | Low | 124 Ų | 124 | 129.8 Ų | 129.8 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 136.7 | 171 | 26.9 | -32.1 | 0 | 0 | 0 | 110.8 | V135 | P133-V135 PolarHBondContact O-N 3.01Š|
| 134 | A | 56.2 | Low | 56.6 | Low | 101 Ų | 101 | 127.7 Ų | 127.7 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 126.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 135 | V | 65.3 | Low | 56.9 | Low | 127 Ų | 127 | 133.2 Ų | 133.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 127.4 | 167.1 | -152.2 | 0 | 0 | 0 | 0 | 107.4 | P133 R137 | P133-V135 PolarHBondContact O-N 3.01Å; V135-R137 PolarHBondContact O-N 2.96Å |
| 136 | P | 59.3 | Low | 57.3 | Low | 115 Ų | 115 | 132.1 Ų | 132.1 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -67 | 110.6 | 168.2 | 25.8 | -29.2 | 0 | 0 | 0 | 108.4 | S138 | P136-S138 PolarHBondContact O-N 3.48Š| ||
| 137 | R | 61.3 | Low | 58.2 | Low | 218 Ų | 218 | 134.7 Ų | 134.7 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | trans | -62.1 | 96 | 168.3 | -91.7 | 179.4 | 162.7 | 97.1 | -4.6 | 108.9 | V135 L139 | V135-R137 PolarHBondContact O-N 2.96Å; R137-L139 HydrophobicContact CB-CG 4.39Å; R137-L139 HydrophobicContact CG-CD1 4.26Å; R137-L139 HydrophobicContact CG-CG 4.38Å; R137-L139 PolarHBondContact O-N 2.89Å | ||
| 138 | S | 60.8 | Low | 58.9 | Low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -79.5 | 67.6 | 156.2 | 21.7 | 0 | 0 | 0 | 0 | 108.9 | P136 | P136-S138 PolarHBondContact O-N 3.48Š| ||
| 139 | L | 69.4 | Low | 59.7 | Low | 123 Ų | 123 | 135.8 Ų | 135.8 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 129.7 | 162.4 | -66.5 | 178.3 | 0 | 0 | 0 | 107.6 | R137 | R137-L139 HydrophobicContact CB-CG 4.39Å; R137-L139 HydrophobicContact CG-CD1 4.26Å; R137-L139 HydrophobicContact CG-CG 4.38Å; R137-L139 PolarHBondContact O-N 2.89Å |
| 140 | P | 61.8 | Low | 60.1 | Low | 108 Ų | 108 | 130.2 Ų | 130.2 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62 | 137.5 | 167.7 | 25.8 | -31 | 0 | 0 | 0 | 109.1 | L142 | P140-L142 PolarHBondContact O-N 3.2Š|
| 141 | P | 65.3 | Low | 60.3 | Low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 133.5 | 176.6 | -22.6 | 32 | 0 | 0 | 0 | 111.4 | D143 | P141-D143 PolarHBondContact O-N 3.21Š|
| 142 | L | 55.4 | Low | 59.2 | Low | 173 Ų | 173 | 135.2 Ų | 135.2 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -79.9 | 38.2 | 177.7 | -76.1 | 172.8 | 0 | 0 | 0 | 113.2 | P140 | P140-L142 PolarHBondContact O-N 3.2Š|
| 143 | D | 60 | Low | 58.4 | Low | 148 Ų | 148 | 135.4 Ų | 135.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -128.3 | 52 | -178.2 | -78.8 | -55.3 | 0 | 0 | 0 | 112.7 | P141 | P141-D143 PolarHBondContact O-N 3.21Š| ||
| 144 | S | 52.3 | Low | 58.3 | Low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -120 | 66.7 | 164.6 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | P146 | S144-P146 WeakPolarHBondContact O-CD 3.33Š| ||
| 145 | R | 60.8 | Low | 57.7 | Low | 232 Ų | 232 | 134.9 Ų | 134.9 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | -67.1 | 125.5 | 159.9 | -83.9 | -176.5 | 163.4 | -178.6 | -3.3 | 108 | V147 | R145-V147 PolarHBondContact O-N 2.98Å; R145-V147 VanDerWaalsContact O-N 3.1Å | ||
| 146 | P | 49.2 | Very low | 56.8 | Low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -70.7 | 107.4 | 166.5 | 26.2 | -27.5 | 0 | 0 | 0 | 108.4 | S144 | S144-P146 WeakPolarHBondContact O-CD 3.33Š| ||
| 147 | V | 61.3 | Low | 56.6 | Low | 123 Ų | 123 | 134.4 Ų | 134.4 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 129.2 | 160.9 | 153.5 | 0 | 0 | 0 | 0 | 107.7 | R145 | R145-V147 PolarHBondContact O-N 2.98Å; R145-V147 VanDerWaalsContact O-N 3.1Å |
| 148 | P | 63.8 | Low | 56.2 | Low | 105 Ų | 105 | 133.8 Ų | 133.8 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74 | 129.7 | 170.7 | 29.4 | -30.7 | 0 | 0 | 0 | 109.3 | V150 | P148-V150 PolarHBondContact O-N 3.49Š|
| 149 | P | 60.5 | Low | 55.5 | Low | 126 Ų | 126 | 131.2 Ų | 131.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 121.7 | 166.9 | 26.5 | -29.7 | 0 | 0 | 0 | 109.3 | ||
| 150 | V | 59 | Low | 54.8 | Low | 137 Ų | 137 | 131.6 Ų | 131.6 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 140.4 | 171.6 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | P148 | P148-V150 PolarHBondContact O-N 3.49Š|
| 151 | K | 53.4 | Low | 54.5 | Low | 209 Ų | 209 | 129.8 Ų | 129.8 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -42.8 | 133.2 | 177.6 | -64.5 | -179.6 | -171.2 | -179.4 | 0 | 113 | ||||
| 152 | G | 43.1 | Very low | 53.9 | Low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -168.3 | 82.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 153 | S | 50.2 | Low | 53.8 | Low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -87.8 | 138.2 | 153.8 | -63.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 154 | P | 56.2 | Low | 53.5 | Low | 135 Ų | 135 | 129.8 Ų | 129.8 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | -147.2 | 154.6 | 76.5 | 35.5 | -16.6 | 0 | 0 | 0 | 115.1 | |||||
| 155 | G | 42.9 | Very low | 53.6 | Low | 79 Ų | 79 | 129.9 Ų | 129.9 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 132.5 | 93.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 156 | C | 47.3 | Very low | 53.5 | Low | 121 Ų | 121 | 124.4 Ų | 124.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -53.4 | 165.2 | 160.1 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 157 | P | 54.2 | Low | 53.8 | Low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -141.5 | 150.8 | 37.2 | 30.5 | -6.4 | 0 | 0 | 0 | 118.7 | ||||
| 158 | F | 52.7 | Low | 53.6 | Low | 205 Ų | 205 | 129 Ų | 129 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | trans | 36.4 | 96.3 | 144.4 | -65.8 | -81 | 0 | 0 | 0 | 118.9 | ||||
| 159 | G | 47.2 | Very low | 53.1 | Low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -92 | 135.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A161 | G159-A161 PolarHBondContact O-N 2.98Š|
| 160 | P | 54.1 | Low | 53.3 | Low | 131 Ų | 131 | 131.7 Ų | 131.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 124.8 | -179.1 | 26.5 | -31.4 | 0 | 0 | 0 | 110.5 | ||
| 161 | A | 55.6 | Low | 53.6 | Low | 70 Ų | 70 | 130.5 Ų | 130.5 | 58% | 0.579 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 140 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G159 L163 | G159-A161 PolarHBondContact O-N 2.98Å; A161-L163 VanDerWaalsContact C-N 3.32Å; A161-L163 PolarHBondContact O-N 3.46Å |
| 162 | P | 52.7 | Low | 54 | Low | 132 Ų | 132 | 128.3 Ų | 128.3 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -67.5 | 97.7 | 162.7 | -7.6 | 23.2 | 0 | 0 | 0 | 107.3 | ||||
| 163 | L | 53.1 | Low | 55.2 | Low | 147 Ų | 147 | 129.3 Ų | 129.3 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -62.9 | 138.4 | 170.7 | -67.7 | 178.4 | 0 | 0 | 0 | 109.3 | A161 S165 | A161-L163 VanDerWaalsContact C-N 3.32Å; A161-L163 PolarHBondContact O-N 3.46Å; L163-S165 PolarHBondContact O-N 3.41Å | ||
| 164 | L | 54.7 | Low | 56 | Low | 156 Ų | 156 | 129.5 Ų | 129.5 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -20.7 | 121.3 | 163.2 | -71.1 | 93.3 | 0 | 0 | 0 | 113.4 | P166 | L164-P166 VanDerWaalsContact O-CD 3.32Å; L164-P166 WeakPolarHBondContact O-CD 3.35Å | ||
| 165 | S | 54.3 | Low | 56.4 | Low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 122.1 | 153.5 | -58.8 | 0 | 0 | 0 | 0 | 108 | L163 R167 | L163-S165 PolarHBondContact O-N 3.41Å; S165-R167 PolarHBondContact O-N 3.23Å |
| 166 | P | 57.5 | Low | 57.1 | Low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 122.9 | 169.4 | -14.8 | 29.6 | 0 | 0 | 0 | 108.5 | L164 | L164-P166 VanDerWaalsContact O-CD 3.32Å; L164-P166 WeakPolarHBondContact O-CD 3.35Å |
| 167 | R | 56.4 | Low | 57.6 | Low | 235 Ų | 235 | 143.9 Ų | 143.9 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 125.1 | 168.5 | -179.1 | -178.8 | 178 | 170 | -0.8 | 108.6 | S165 S169 | S165-R167 PolarHBondContact O-N 3.23Å; R167-S169 PolarHBondContact O-N 3.44Å |
| 168 | P | 56.3 | Low | 57.8 | Low | 110 Ų | 110 | 145.6 Ų | 145.6 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 127.2 | 175.2 | 25.1 | -30.9 | 0 | 0 | 0 | 109.6 | Q170 | P168-Q170 PolarHBondContact O-N 2.95Š|
| 169 | S | 53.3 | Low | 58 | Low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -64.2 | 111.4 | 171.4 | -166 | 0 | 0 | 0 | 0 | 108.4 | R167 | R167-S169 PolarHBondContact O-N 3.44Š| ||
| 170 | Q | 65.5 | Low | 58.7 | Low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 128.3 | 170.1 | -82.7 | -78.6 | -6.7 | 0 | 0 | 108.8 | P168 | P168-Q170 PolarHBondContact O-N 2.95Š|
| 171 | P | 64.2 | Low | 59 | Low | 112 Ų | 112 | 147.6 Ų | 147.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 133.8 | 167.7 | 28.3 | -28.9 | 0 | 0 | 0 | 110.4 | ||
| 172 | E | 62.1 | Low | 59.2 | Low | 162 Ų | 162 | 152.8 Ų | 152.8 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 136.6 | 177.7 | -167.3 | 175.2 | 109.9 | 0 | 0 | 111.1 | ||
| 173 | P | 68.4 | Low | 59.7 | Low | 98 Ų | 98 | 154.3 Ų | 154.3 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 142.5 | 178.5 | 29.3 | -32.3 | 0 | 0 | 0 | 111.2 | H175 | P173-H175 PolarHBondContact O-N 3.43Š|
| 174 | P | 68.1 | Low | 60.2 | Low | 125 Ų | 125 | 154.8 Ų | 154.8 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 128.6 | -179.4 | 27.2 | -33.2 | 0 | 0 | 0 | 110.9 | R176 | P174-R176 PolarHBondContact O-N 3.47Š|
| 175 | H | 63.1 | Low | 60.6 | Low | 173 Ų | 173 | 154.8 Ų | 154.8 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 119 | 164.9 | -65.1 | -73.7 | 0 | 0 | 0 | 109.3 | P173 | P173-H175 PolarHBondContact O-N 3.43Š|
| 176 | R | 58.2 | Low | 61.2 | Low | 320 Ų | 320 | 158.4 Ų | 158.4 | 100% | 1.208 | 81% | 0.812 | S | S | * | * | trans | -127.1 | 0 | 158.4 | -103.5 | -156.1 | 170.7 | -168.6 | -1.3 | 109.3 | P174 | P174-R176 PolarHBondContact O-N 3.47Š|
Retrieved 176 of 176 residues in 42.2 ms
(Link to these results)