| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39 | Very low | 54.5 | Low | 245 Ų | 245 | 136.9 Ų | 136.9 | 100% | 1.207 | 74% | 0.736 | S | S | * | * | 0 | 94.7 | 0 | -61.3 | 178.7 | 92.6 | 0 | 0 | 106.5 | G3 | M1-G3 PolarHBondContact O-N 3.04Å; M1-G3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | S | 42.4 | Very low | 55.2 | Low | 126 Ų | 126 | 128.4 Ų | 128.4 | 88% | 0.881 | 69% | 0.691 | S | S | * | * | trans | -76.2 | 97.4 | -177.7 | -79.1 | 0 | 0 | 0 | 0 | 109.5 | S4 | S2-S4 VanDerWaalsContact C-N 3.35Å; S2-S4 PolarHBondContact O-N 3.18Å; S2-S4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | G | 49.3 | Very low | 56.1 | Low | 66 Ų | 66 | 124.7 Ų | 124.7 | 68% | 0.68 | 68% | 0.675 | S | S | * | * | trans | -73.5 | 91 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | M1 N5 | M1-G3 PolarHBondContact O-N 3.04Å; M1-G3 VanDerWaalsContact O-N 3.09Å; G3-N5 VanDerWaalsContact C-N 3.34Å; G3-N5 PolarHBondContact O-N 2.83Å | ||
| 4 | S | 57.8 | Low | 57.3 | Low | 79 Ų | 79 | 126.1 Ų | 126.1 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | trans | -69 | 95.5 | 165.4 | 47.3 | 0 | 0 | 0 | 0 | 107.9 | S2 F6 | S2-S4 VanDerWaalsContact C-N 3.35Å; S2-S4 PolarHBondContact O-N 3.18Å; S2-S4 VanDerWaalsContact O-N 3.14Å; S4-F6 VanDerWaalsContact CB-CE2 3.44Å; S4-F6 PolarHBondContact O-N 2.77Å; S4-F6 WeakPolarHBondContact OG-CE2 3.5Å | ||
| 5 | N | 57 | Low | 58.4 | Low | 162 Ų | 162 | 121.7 Ų | 121.7 | 87% | 0.866 | 65% | 0.648 | S | S | * | * | trans | -68 | 80.4 | 166.5 | -75.5 | -43.7 | 0 | 0 | 0 | 108.3 | G3 R7 | G3-N5 VanDerWaalsContact C-N 3.34Å; G3-N5 PolarHBondContact O-N 2.83Å; N5-R7 PolarHBondContact O-N 2.7Å; N5-R7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | F | 61 | Low | 59.3 | Low | 171 Ų | 171 | 118.1 Ų | 118.1 | 75% | 0.75 | 63% | 0.627 | S | S | * | * | trans | -66.5 | 109.1 | 164.8 | -68.9 | -75.7 | 0 | 0 | 0 | 106.9 | S4 L8 | S4-F6 VanDerWaalsContact CB-CE2 3.44Å; S4-F6 PolarHBondContact O-N 2.77Å; S4-F6 WeakPolarHBondContact OG-CE2 3.5Å; F6-L8 PolarHBondContact O-N 2.83Å | ||
| 7 | R | 59.5 | Low | 60.5 | Low | 209 Ų | 209 | 118.9 Ų | 118.9 | 79% | 0.789 | 63% | 0.632 | S | S | * | * | trans | -70.5 | 99.7 | 173 | -148.3 | 176.7 | -172.5 | -178.3 | 2.2 | 105.6 | N5 L9 | N5-R7 PolarHBondContact O-N 2.7Å; N5-R7 VanDerWaalsContact O-N 3.11Å; R7-L9 HydrophobicContact CB-CD1 4.41Å; R7-L9 HydrophobicContact CB-CG 4.17Å; R7-L9 HydrophobicContact CG-CD1 4.38Å; R7-L9 HydrophobicContact CG-CD2 4.18Å; R7-L9 HydrophobicContact CG-CG 3.94Å; R7-L9 PolarHBondContact O-N 2.94Å | ||
| 8 | L | 61.7 | Low | 61.7 | Low | 78 Ų | 78 | 120.3 Ų | 120.3 | 41% | 0.408 | 63% | 0.631 | S | S | . | * | trans | -64.5 | 86.4 | 166.8 | -112.9 | 82.9 | 0 | 0 | 0 | 106.9 | F6 D10 L25 V26 L29 | F6-L8 PolarHBondContact O-N 2.83Å; L8-D10 PolarHBondContact O-N 3.08Å; L8-L25 HydrophobicContact CD2-CB 4.44Å; L8-L25 HydrophobicContact CD2-CD2 4.02Å; L8-L25 HydrophobicContact CD2-CG 4.16Å; L8-L25 HydrophobicContact CG-CD2 4.42Å; L8-V26 HydrophobicContact CD2-CG2 3.88Å; L8-L29 HydrophobicContact CD1-CD1 3.66Å; L8-L29 HydrophobicContact CD1-CD2 4.17Å; L8-L29 HydrophobicContact CD1-CG 4.47Å; L8-L29 HydrophobicContact CD2-CD1 3.83Å; L8-L29 HydrophobicContact CG-CD1 4.4Å | ||
| 9 | L | 57.4 | Low | 62.7 | Low | 119 Ų | 119 | 119.6 Ų | 119.6 | 62% | 0.623 | 62% | 0.62 | S | S | * | * | trans | -89.6 | 99.4 | 173.2 | -73.8 | 167.2 | 0 | 0 | 0 | 106.6 | R7 D11 | R7-L9 HydrophobicContact CB-CD1 4.41Å; R7-L9 HydrophobicContact CB-CG 4.17Å; R7-L9 HydrophobicContact CG-CD1 4.38Å; R7-L9 HydrophobicContact CG-CD2 4.18Å; R7-L9 HydrophobicContact CG-CG 3.94Å; R7-L9 PolarHBondContact O-N 2.94Å; L9-D11 PolarHBondContact O-N 3.2Å | ||
| 10 | D | 55.3 | Low | 63.5 | Low | 134 Ų | 134 | 118.8 Ų | 118.8 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 48.8 | 16 | 144.2 | -146.2 | 18.9 | 0 | 0 | 0 | 120 | L8 D12 | L8-D10 PolarHBondContact O-N 3.08Å; D10-D12 PolarHBondContact O-N 3.3Å |
| 11 | D | 59.2 | Low | 64.3 | Low | 117 Ų | 117 | 119 Ų | 119 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 2.4 | 174.4 | -115.6 | -4.9 | 0 | 0 | 0 | 112.7 | L9 T13 | L9-D11 PolarHBondContact O-N 3.2Å; D11-T13 PolarHBondContact O-N 3.3Å |
| 12 | D | 62.6 | Low | 66.2 | Low | 35 Ų | 35 | 109.2 Ų | 109.2 | 19% | 0.187 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -64.8 | -19.9 | 178.8 | -80.8 | 18.7 | 0 | 0 | 0 | 112.2 | D10 F15 M16 L25 | D10-D12 PolarHBondContact O-N 3.3Å; D12-F15 PolarHBondContact O-N 3.35Å; D12-M16 WeakPolarHBondContact O-CB 3.46Å; D12-M16 WeakPolarHBondContact O-CG 3.35Å; D12-M16 PolarHBondContact O-N 2.84Å; D12-L25 WeakPolarHBondContact OD1-CB 3.27Å; D12-L25 WeakPolarHBondContact OD1-CD2 3.39Å |
| 13 | T | 66.9 | Low | 68 | Low | 80 Ų | 80 | 107.5 Ų | 107.5 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.2 | -50.2 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | D11 F15 M16 D17 | D11-T13 PolarHBondContact O-N 3.3Å; T13-F15 VanDerWaalsContact C-N 3.29Å; T13-F15 PolarHBondContact O-N 2.71Å; T13-M16 PolarHBondContact O-N 3.14Å; T13-D17 VanDerWaalsContact O-CG 3.25Å; T13-D17 PolarHBondContact O-N 3.21Å |
| 14 | Q | 73.4 | Confident | 69.6 | Low | 144 Ų | 144 | 105.8 Ų | 105.8 | 67% | 0.673 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.7 | -34.2 | 177.6 | -65.5 | -165.5 | 14.9 | 0 | 0 | 112.4 | K18 | Q14-K18 WeakPolarHBondContact O-CB 3.22Å; Q14-K18 PolarHBondContact O-N 3.35Å; Q14-K18 VanDerWaalsContact O-N 3.1Å |
| 15 | F | 73.5 | Confident | 70.7 | Confident | 60 Ų | 60 | 104.2 Ų | 104.2 | 26% | 0.263 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.6 | -43.1 | 178.2 | -171.7 | -87.8 | 0 | 0 | 0 | 111.3 | D12 T13 K18 Y19 L23 L28 | D12-F15 PolarHBondContact O-N 3.35Å; T13-F15 VanDerWaalsContact C-N 3.29Å; T13-F15 PolarHBondContact O-N 2.71Å; F15-K18 PolarHBondContact O-N 3.32Å; F15-Y19 HydrophobicContact CD1-CD2 4.47Å; F15-Y19 HydrophobicContact CD2-CD2 4.09Å; F15-Y19 HydrophobicContact CD2-CE2 4.36Å; F15-Y19 HydrophobicContact CE1-CD2 4.18Å; F15-Y19 AromaticContact CE2-CD2 3.8Å; F15-Y19 HydrophobicContact CE2-CD2 3.8Å; F15-Y19 AromaticContact CE2-CE2 3.98Å; F15-Y19 HydrophobicContact CE2-CE2 3.98Å; F15-Y19 HydrophobicContact CG-CD2 4.43Å; F15-Y19 AromaticContact CZ-CD2 3.85Å; F15-Y19 HydrophobicContact CZ-CD2 3.85Å; F15-Y19 HydrophobicContact CZ-CE2 4.38Å; F15-Y19 PolarHBondContact O-N 3.38Å; F15-L23 VanDerWaalsContact CE1-O 3.26Å; F15-L23 WeakPolarHBondContact CE1-O 3.45Å; F15-L28 HydrophobicContact CZ-CD2 4.43Å |
| 16 | M | 73.5 | Confident | 71.9 | Confident | 65 Ų | 65 | 100.5 Ų | 100.5 | 32% | 0.32 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 175.4 | -69.3 | -67.7 | 95.5 | 0 | 0 | 112.4 | D12 T13 K18 Y19 P20 L23 | D12-M16 WeakPolarHBondContact O-CB 3.46Å; D12-M16 WeakPolarHBondContact O-CG 3.35Å; D12-M16 PolarHBondContact O-N 2.84Å; T13-M16 PolarHBondContact O-N 3.14Å; M16-K18 VanDerWaalsContact C-N 3.35Å; M16-K18 PolarHBondContact O-N 2.96Å; M16-Y19 CarbonylContact O-C 3.59Å; M16-Y19 VanDerWaalsContact O-C 3.24Å; M16-Y19 PolarHBondContact O-N 3.16Å; M16-P20 WeakPolarHBondContact O-CA 3.42Å; M16-L23 WeakPolarHBondContact CE-O 3.26Å |
| 17 | D | 80 | Confident | 73 | Confident | 132 Ų | 132 | 96.4 Ų | 96.4 | 71% | 0.706 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.4 | -38.8 | 175.9 | -71.4 | -22.1 | 0 | 0 | 0 | 112 | T13 | T13-D17 VanDerWaalsContact O-CG 3.25Å; T13-D17 PolarHBondContact O-N 3.21Å |
| 18 | K | 81.6 | Confident | 74.2 | Confident | 143 Ų | 143 | 88 Ų | 88 | 62% | 0.622 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -76.6 | -31.9 | 179.2 | -169.4 | 162.3 | -177.4 | -97.7 | 0 | 112.9 | Q14 F15 M16 | Q14-K18 WeakPolarHBondContact O-CB 3.22Å; Q14-K18 PolarHBondContact O-N 3.35Å; Q14-K18 VanDerWaalsContact O-N 3.1Å; F15-K18 PolarHBondContact O-N 3.32Å; M16-K18 VanDerWaalsContact C-N 3.35Å; M16-K18 PolarHBondContact O-N 2.96Å |
| 19 | Y | 79.7 | Confident | 75.2 | Confident | 107 Ų | 107 | 87.2 Ų | 87.2 | 42% | 0.42 | 47% | 0.465 | S | S | . | . | trans | -128.9 | 72.7 | -178.6 | -57.9 | -75.4 | 0 | 0 | 0 | 110.5 | F15 M16 N21 G22 | F15-Y19 HydrophobicContact CD1-CD2 4.47Å; F15-Y19 HydrophobicContact CD2-CD2 4.09Å; F15-Y19 HydrophobicContact CD2-CE2 4.36Å; F15-Y19 HydrophobicContact CE1-CD2 4.18Å; F15-Y19 AromaticContact CE2-CD2 3.8Å; F15-Y19 HydrophobicContact CE2-CD2 3.8Å; F15-Y19 AromaticContact CE2-CE2 3.98Å; F15-Y19 HydrophobicContact CE2-CE2 3.98Å; F15-Y19 HydrophobicContact CG-CD2 4.43Å; F15-Y19 AromaticContact CZ-CD2 3.85Å; F15-Y19 HydrophobicContact CZ-CD2 3.85Å; F15-Y19 HydrophobicContact CZ-CE2 4.38Å; F15-Y19 PolarHBondContact O-N 3.38Å; M16-Y19 CarbonylContact O-C 3.59Å; M16-Y19 VanDerWaalsContact O-C 3.24Å; M16-Y19 PolarHBondContact O-N 3.16Å; Y19-N21 PolarHBondContact O-N 3.35Å; Y19-G22 WeakPolarHBondContact O-CA 3.44Å; Y19-G22 PolarHBondContact O-N 3.16Å | ||
| 20 | P | 78.9 | Confident | 76.6 | Confident | 104 Ų | 104 | 85.3 Ų | 85.3 | 68% | 0.675 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.9 | -176.7 | 25.6 | -35.5 | 0 | 0 | 0 | 113.4 | M16 | M16-P20 WeakPolarHBondContact O-CA 3.42Š|
| 21 | N | 81.8 | Confident | 78 | Confident | 124 Ų | 124 | 82.9 Ų | 82.9 | 66% | 0.663 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 6.5 | 173.2 | -66.3 | -70.7 | 0 | 0 | 0 | 113 | Y19 R57 | Y19-N21 PolarHBondContact O-N 3.35Å; N21-R57 PolarHBondContact OD1-NH1 3.47Å |
| 22 | G | 78.7 | Confident | 79.4 | Confident | 38 Ų | 38 | 82.9 Ų | 82.9 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -78.7 | 167.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y19 | Y19-G22 WeakPolarHBondContact O-CA 3.44Å; Y19-G22 PolarHBondContact O-N 3.16Å |
| 23 | L | 79.8 | Confident | 80.5 | Confident | 91 Ų | 91 | 85.3 Ų | 85.3 | 48% | 0.476 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 149.8 | 167.3 | -66.7 | 175.1 | 0 | 0 | 0 | 109.7 | F15 M16 D27 I62 | F15-L23 VanDerWaalsContact CE1-O 3.26Å; F15-L23 WeakPolarHBondContact CE1-O 3.45Å; M16-L23 WeakPolarHBondContact CE-O 3.26Å; L23-D27 HydrophobicContact CB-CB 4.17Å; L23-I62 HydrophobicContact CD1-CD1 4.35Å |
| 24 | S | 82.1 | Confident | 81.5 | Confident | 29 Ų | 29 | 82.8 Ų | 82.8 | 20% | 0.203 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 156.5 | 173 | 73.3 | 0 | 0 | 0 | 0 | 110.8 | V26 D27 L28 | S24-V26 PolarHBondContact O-N 3.39Å; S24-D27 PolarHBondContact O-N 3.45Å; S24-D27 VanDerWaalsContact O-N 3.07Å; S24-D27 PolarHBondContact OG-N 3.16Å; S24-D27 PolarHBondContact OG-OD2 3.29Å; S24-L28 PolarHBondContact O-N 3.21Å; S24-L28 VanDerWaalsContact O-N 3.15Å |
| 25 | L | 80.4 | Confident | 82.1 | Confident | 47 Ų | 47 | 79.5 Ų | 79.5 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 178.5 | -174.2 | 60.1 | 0 | 0 | 0 | 110.4 | L8 D12 D27 L28 L29 | L8-L25 HydrophobicContact CD2-CB 4.44Å; L8-L25 HydrophobicContact CD2-CD2 4.02Å; L8-L25 HydrophobicContact CD2-CG 4.16Å; L8-L25 HydrophobicContact CG-CD2 4.42Å; D12-L25 WeakPolarHBondContact OD1-CB 3.27Å; D12-L25 WeakPolarHBondContact OD1-CD2 3.39Å; L25-D27 VanDerWaalsContact C-N 3.27Å; L25-D27 PolarHBondContact O-N 3.01Å; L25-L28 CarbonylContact O-C 3.55Å; L25-L28 WeakPolarHBondContact O-CA 3.26Å; L25-L28 WeakPolarHBondContact O-CB 3.43Å; L25-L28 PolarHBondContact O-N 2.96Å; L25-L29 WeakPolarHBondContact O-CG 3.21Å; L25-L29 PolarHBondContact O-N 2.81Å |
| 26 | V | 82.6 | Confident | 82.8 | Confident | 84 Ų | 84 | 80.5 Ų | 80.5 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -54.9 | -41.6 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | L8 S24 L28 | L8-V26 HydrophobicContact CD2-CG2 3.88Å; S24-V26 PolarHBondContact O-N 3.39Å; V26-L28 VanDerWaalsContact C-N 3.3Å; V26-L28 PolarHBondContact O-N 2.96Å |
| 27 | D | 84 | Confident | 83.6 | Confident | 84 Ų | 84 | 84.5 Ų | 84.5 | 45% | 0.449 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -73.2 | -23.7 | 177.8 | -63.1 | -43.2 | 0 | 0 | 0 | 112.8 | L23 S24 L25 P30 | L23-D27 HydrophobicContact CB-CB 4.17Å; S24-D27 PolarHBondContact O-N 3.45Å; S24-D27 VanDerWaalsContact O-N 3.07Å; S24-D27 PolarHBondContact OG-N 3.16Å; S24-D27 PolarHBondContact OG-OD2 3.29Å; L25-D27 VanDerWaalsContact C-N 3.27Å; L25-D27 PolarHBondContact O-N 3.01Å; D27-P30 WeakPolarHBondContact O-CD 3.46Å |
| 28 | L | 84.3 | Confident | 83.8 | Confident | 34 Ų | 34 | 85.3 Ų | 85.3 | 18% | 0.178 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -87.1 | -22.1 | -179.1 | -154.8 | 62.2 | 0 | 0 | 0 | 112.5 | F15 S24 L25 V26 F31 Y32 | F15-L28 HydrophobicContact CZ-CD2 4.43Å; S24-L28 PolarHBondContact O-N 3.21Å; S24-L28 VanDerWaalsContact O-N 3.15Å; L25-L28 CarbonylContact O-C 3.55Å; L25-L28 WeakPolarHBondContact O-CA 3.26Å; L25-L28 WeakPolarHBondContact O-CB 3.43Å; L25-L28 PolarHBondContact O-N 2.96Å; V26-L28 VanDerWaalsContact C-N 3.3Å; V26-L28 PolarHBondContact O-N 2.96Å; L28-F31 HydrophobicContact CD1-CD1 4.37Å; L28-F31 WeakPolarHBondContact O-CB 3.32Å; L28-F31 PolarHBondContact O-N 3.22Å; L28-F31 VanDerWaalsContact O-N 3.1Å; L28-Y32 HydrophobicContact CB-CD2 4.37Å; L28-Y32 HydrophobicContact CB-CE2 4.08Å; L28-Y32 HydrophobicContact CD2-CD2 4.4Å; L28-Y32 HydrophobicContact CD2-CE2 3.4Å; L28-Y32 WeakPolarHBondContact CD2-OH 3.27Å; L28-Y32 HydrophobicContact CG-CD2 3.98Å; L28-Y32 HydrophobicContact CG-CE2 3.43Å; L28-Y32 VanDerWaalsContact CG-CE2 3.43Å; L28-Y32 WeakPolarHBondContact O-CD2 2.98Å; L28-Y32 PolarHBondContact O-N 3.34Å; L28-Y32 VanDerWaalsContact O-N 3.15Å |
| 29 | L | 84.7 | Confident | 84 | Confident | 61 Ų | 61 | 83.5 Ų | 83.5 | 32% | 0.319 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -53.8 | -46.9 | 179.4 | -72.5 | 174 | 0 | 0 | 0 | 114 | L8 L25 F31 Y32 D33 | L8-L29 HydrophobicContact CD1-CD1 3.66Å; L8-L29 HydrophobicContact CD1-CD2 4.17Å; L8-L29 HydrophobicContact CD1-CG 4.47Å; L8-L29 HydrophobicContact CD2-CD1 3.83Å; L8-L29 HydrophobicContact CG-CD1 4.4Å; L25-L29 WeakPolarHBondContact O-CG 3.21Å; L25-L29 PolarHBondContact O-N 2.81Å; L29-F31 PolarHBondContact O-N 3.42Å; L29-Y32 PolarHBondContact O-N 3.3Å; L29-Y32 VanDerWaalsContact O-N 3.15Å; L29-D33 PolarHBondContact O-N 2.82Å |
| 30 | P | 86.2 | Confident | 84.1 | Confident | 79 Ų | 79 | 84.1 Ų | 84.1 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.5 | -35.5 | 178.4 | -24 | 34.8 | 0 | 0 | 0 | 112.7 | D27 D33 S34 | D27-P30 WeakPolarHBondContact O-CD 3.46Å; P30-D33 PolarHBondContact O-N 3.06Å; P30-S34 PolarHBondContact O-N 3.03Å; P30-S34 PolarHBondContact O-OG 3.25Å |
| 31 | F | 85.1 | Confident | 84.2 | Confident | 82 Ų | 82 | 82.5 Ų | 82.5 | 36% | 0.36 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 177.5 | 175.9 | -102.2 | 0 | 0 | 0 | 111.6 | L28 L29 D33 S34 I35 L41 L43 | L28-F31 HydrophobicContact CD1-CD1 4.37Å; L28-F31 WeakPolarHBondContact O-CB 3.32Å; L28-F31 PolarHBondContact O-N 3.22Å; L28-F31 VanDerWaalsContact O-N 3.1Å; L29-F31 PolarHBondContact O-N 3.42Å; F31-D33 VanDerWaalsContact C-N 3.34Å; F31-D33 PolarHBondContact O-N 3.18Å; F31-S34 PolarHBondContact O-N 3.18Å; F31-I35 HydrophobicContact CD1-CD1 3.64Å; F31-I35 HydrophobicContact CE1-CD1 3.2Å; F31-I35 HydrophobicContact CE1-CG1 4.3Å; F31-I35 HydrophobicContact CE2-CD1 4.29Å; F31-I35 HydrophobicContact CG-CD1 4.36Å; F31-I35 HydrophobicContact CZ-CD1 3.57Å; F31-I35 HydrophobicContact CZ-CG1 4.34Å; F31-I35 WeakPolarHBondContact O-CG1 3.16Å; F31-I35 PolarHBondContact O-N 3.33Å; F31-L41 HydrophobicContact CD2-CD1 4.43Å; F31-L41 HydrophobicContact CD2-CD2 3.95Å; F31-L41 HydrophobicContact CE2-CD1 3.75Å; F31-L41 HydrophobicContact CE2-CD2 4Å; F31-L41 HydrophobicContact CE2-CG 4.42Å; F31-L41 HydrophobicContact CZ-CD1 4.2Å; F31-L43 HydrophobicContact CE2-CD2 4.45Å |
| 32 | Y | 86.8 | Confident | 84.2 | Confident | 117 Ų | 117 | 86.6 Ų | 86.6 | 46% | 0.459 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 175 | -71.8 | -58.1 | 0 | 0 | 0 | 112.7 | L28 L29 I35 S36 | L28-Y32 HydrophobicContact CB-CD2 4.37Å; L28-Y32 HydrophobicContact CB-CE2 4.08Å; L28-Y32 HydrophobicContact CD2-CD2 4.4Å; L28-Y32 HydrophobicContact CD2-CE2 3.4Å; L28-Y32 WeakPolarHBondContact CD2-OH 3.27Å; L28-Y32 HydrophobicContact CG-CD2 3.98Å; L28-Y32 HydrophobicContact CG-CE2 3.43Å; L28-Y32 VanDerWaalsContact CG-CE2 3.43Å; L28-Y32 WeakPolarHBondContact O-CD2 2.98Å; L28-Y32 PolarHBondContact O-N 3.34Å; L28-Y32 VanDerWaalsContact O-N 3.15Å; L29-Y32 PolarHBondContact O-N 3.3Å; L29-Y32 VanDerWaalsContact O-N 3.15Å; Y32-I35 HydrophobicContact CD1-CD1 4.36Å; Y32-I35 PolarHBondContact O-N 3.46Å; Y32-S36 WeakPolarHBondContact O-CB 3.34Å; Y32-S36 PolarHBondContact O-N 3.16Å |
| 33 | D | 87.4 | Confident | 84.4 | Confident | 86 Ų | 86 | 90.4 Ų | 90.4 | 46% | 0.46 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.6 | -85.2 | -0.9 | 0 | 0 | 0 | 111.3 | L29 P30 F31 S36 K37 | L29-D33 PolarHBondContact O-N 2.82Å; P30-D33 PolarHBondContact O-N 3.06Å; F31-D33 VanDerWaalsContact C-N 3.34Å; F31-D33 PolarHBondContact O-N 3.18Å; D33-S36 PolarHBondContact O-N 3.08Å; D33-S36 PolarHBondContact O-OG 3.49Å; D33-K37 WeakPolarHBondContact O-CG 3.42Å; D33-K37 PolarHBondContact O-N 3.36Å; D33-K37 VanDerWaalsContact O-N 3.16Å |
| 34 | S | 86.7 | Confident | 84.6 | Confident | 28 Ų | 28 | 94.2 Ų | 94.2 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 175.8 | -73.7 | 0 | 0 | 0 | 0 | 112.6 | P30 F31 K37 N38 E39 | P30-S34 PolarHBondContact O-N 3.03Å; P30-S34 PolarHBondContact O-OG 3.25Å; F31-S34 PolarHBondContact O-N 3.18Å; S34-K37 PolarHBondContact O-N 3.41Å; S34-N38 PolarHBondContact O-N 3.5Å; S34-E39 WeakPolarHBondContact O-CB 3.42Å; S34-E39 PolarHBondContact O-N 2.85Å; S34-E39 PolarHBondContact OG-OE2 2.9Å |
| 35 | I | 86.8 | Confident | 84.4 | Confident | 74 Ų | 74 | 103.9 Ų | 103.9 | 38% | 0.379 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 173.1 | -68.1 | 166.8 | 0 | 0 | 0 | 110.6 | F31 Y32 K37 N38 L41 | F31-I35 HydrophobicContact CD1-CD1 3.64Å; F31-I35 HydrophobicContact CE1-CD1 3.2Å; F31-I35 HydrophobicContact CE1-CG1 4.3Å; F31-I35 HydrophobicContact CE2-CD1 4.29Å; F31-I35 HydrophobicContact CG-CD1 4.36Å; F31-I35 HydrophobicContact CZ-CD1 3.57Å; F31-I35 HydrophobicContact CZ-CG1 4.34Å; F31-I35 WeakPolarHBondContact O-CG1 3.16Å; F31-I35 PolarHBondContact O-N 3.33Å; Y32-I35 HydrophobicContact CD1-CD1 4.36Å; Y32-I35 PolarHBondContact O-N 3.46Å; I35-K37 PolarHBondContact O-N 3.16Å; I35-N38 PolarHBondContact O-N 2.9Å; I35-L41 HydrophobicContact CD1-CD1 4.4Å; I35-L41 HydrophobicContact CG1-CD1 3.63Å |
| 36 | S | 88.6 | Confident | 84.4 | Confident | 82 Ų | 82 | 106.9 Ų | 106.9 | 57% | 0.573 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.9 | -28.4 | -177.3 | 76.5 | 0 | 0 | 0 | 0 | 112.9 | Y32 D33 N38 | Y32-S36 WeakPolarHBondContact O-CB 3.34Å; Y32-S36 PolarHBondContact O-N 3.16Å; D33-S36 PolarHBondContact O-N 3.08Å; D33-S36 PolarHBondContact O-OG 3.49Å; S36-N38 VanDerWaalsContact C-N 3.34Å |
| 37 | K | 89.6 | Confident | 83.8 | Confident | 148 Ų | 148 | 108.3 Ų | 108.3 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 2.5 | 177.9 | -67.9 | 169.4 | -172.2 | 162.9 | 0 | 113.4 | D33 S34 I35 E39 | D33-K37 WeakPolarHBondContact O-CG 3.42Å; D33-K37 PolarHBondContact O-N 3.36Å; D33-K37 VanDerWaalsContact O-N 3.16Å; S34-K37 PolarHBondContact O-N 3.41Å; I35-K37 PolarHBondContact O-N 3.16Å; K37-E39 PolarHBondContact O-N 3.18Å |
| 38 | N | 83.2 | Confident | 83.4 | Confident | 149 Ų | 149 | 110.5 Ų | 110.5 | 80% | 0.797 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.1 | 35.3 | -172.2 | -58.7 | -63.3 | 0 | 0 | 0 | 112.7 | S34 I35 S36 | S34-N38 PolarHBondContact O-N 3.5Å; I35-N38 PolarHBondContact O-N 2.9Å; S36-N38 VanDerWaalsContact C-N 3.34Å |
| 39 | E | 85.6 | Confident | 82.7 | Confident | 105 Ų | 105 | 111.4 Ų | 111.4 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | trans | -74.9 | 138.3 | 177.8 | -167.8 | 177.4 | -173.5 | 0 | 0 | 110.1 | S34 K37 L41 | S34-E39 WeakPolarHBondContact O-CB 3.42Å; S34-E39 PolarHBondContact O-N 2.85Å; S34-E39 PolarHBondContact OG-OE2 2.9Å; K37-E39 PolarHBondContact O-N 3.18Å; E39-L41 PolarHBondContact O-N 3.3Å | ||
| 40 | P | 83 | Confident | 81.7 | Confident | 120 Ų | 120 | 118.8 Ų | 118.8 | 78% | 0.779 | 62% | 0.619 | S | S | * | * | trans | -63.8 | 112 | 176.9 | 24.5 | -33.4 | 0 | 0 | 0 | 110.9 | ||||
| 41 | L | 81.5 | Confident | 80.4 | Confident | 71 Ų | 71 | 120.9 Ų | 120.9 | 37% | 0.372 | 62% | 0.624 | S | S | . | * | trans | -81.1 | 126.5 | 177.8 | -65.3 | 163.5 | 0 | 0 | 0 | 110.4 | F31 I35 E39 L43 | F31-L41 HydrophobicContact CD2-CD1 4.43Å; F31-L41 HydrophobicContact CD2-CD2 3.95Å; F31-L41 HydrophobicContact CE2-CD1 3.75Å; F31-L41 HydrophobicContact CE2-CD2 4Å; F31-L41 HydrophobicContact CE2-CG 4.42Å; F31-L41 HydrophobicContact CZ-CD1 4.2Å; I35-L41 HydrophobicContact CD1-CD1 4.4Å; I35-L41 HydrophobicContact CG1-CD1 3.63Å; E39-L41 PolarHBondContact O-N 3.3Å; L41-L43 PolarHBondContact O-N 2.94Å | ||
| 42 | K | 81.9 | Confident | 79.1 | Confident | 210 Ų | 210 | 122.3 Ų | 122.3 | 91% | 0.913 | 64% | 0.636 | S | S | * | * | trans | -84.8 | 104.3 | 166.6 | -69.6 | -179.1 | -177.5 | 174.2 | 0 | 108.5 | ||||
| 43 | L | 81.3 | Confident | 77.9 | Confident | 118 Ų | 118 | 122.4 Ų | 122.4 | 62% | 0.618 | 65% | 0.651 | S | S | * | * | trans | -90.8 | 123.5 | 173 | -62.3 | 175.4 | 0 | 0 | 0 | 109.3 | F31 L41 | F31-L43 HydrophobicContact CE2-CD2 4.45Å; L41-L43 PolarHBondContact O-N 2.94Å | ||
| 44 | E | 84.2 | Confident | 76.5 | Confident | 171 Ų | 171 | 125.7 Ų | 125.7 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | trans | -99.6 | 116.4 | 169.1 | -173 | 176.7 | 178.5 | 0 | 0 | 108.8 | V46 | E44-V46 HydrophobicContact CG-CG2 4.1Š| ||
| 45 | W | 79 | Confident | 75.2 | Confident | 231 Ų | 231 | 128.9 Ų | 128.9 | 88% | 0.875 | 69% | 0.686 | S | S | * | * | trans | -89.5 | 108 | 170 | -72.5 | 94.3 | 0 | 0 | 0 | 108.6 | ||||
| 46 | V | 79.6 | Confident | 73.5 | Confident | 111 Ų | 111 | 134.1 Ų | 134.1 | 67% | 0.673 | 71% | 0.709 | S | S | * | * | trans | -90.1 | 121.8 | 172.1 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | E44 | E44-V46 HydrophobicContact CG-CG2 4.1Š| ||
| 47 | C | 69.5 | Low | 72 | Confident | 113 Ų | 113 | 138.4 Ų | 138.4 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | trans | -57.1 | 131.6 | 172.7 | -73.7 | 0 | 0 | 0 | 0 | 109.4 | G49 | C47-G49 PolarHBondContact O-N 3.42Š| ||
| 48 | P | 76.2 | Confident | 70.3 | Confident | 131 Ų | 131 | 139.9 Ų | 139.9 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | trans | -64.5 | 98.4 | 176.8 | 25.5 | -32.1 | 0 | 0 | 0 | 109 | ||||
| 49 | G | 70.5 | Confident | 68.7 | Low | 52 Ų | 52 | 138.6 Ų | 138.6 | 54% | 0.536 | 72% | 0.719 | S | S | . | * | trans | -67.5 | 164.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | C47 I51 | C47-G49 PolarHBondContact O-N 3.42Å; G49-I51 PolarHBondContact O-N 3.38Å | ||
| 50 | K | 63.8 | Low | 67 | Low | 216 Ų | 216 | 139.9 Ų | 139.9 | 94% | 0.939 | 74% | 0.735 | S | S | * | * | trans | -65.2 | 89.3 | 167.8 | -62 | -65.6 | -176.8 | 179.7 | 0 | 107.8 | D52 | K50-D52 PolarHBondContact O-N 2.9Š| ||
| 51 | I | 58 | Low | 65.3 | Low | 123 Ų | 123 | 143 Ų | 143 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | trans | -69.1 | 115.1 | 170.4 | -61.6 | 169.7 | 0 | 0 | 0 | 105.6 | G49 | G49-I51 PolarHBondContact O-N 3.38Š| ||
| 52 | D | 57.3 | Low | 63.9 | Low | 112 Ų | 112 | 145 Ų | 145 | 60% | 0.599 | 75% | 0.746 | S | S | * | * | trans | -61.2 | 125.9 | 170.1 | -109 | -34.8 | 0 | 0 | 0 | 107.9 | K50 N54 V55 | K50-D52 PolarHBondContact O-N 2.9Å; D52-N54 PolarHBondContact O-N 3.21Å; D52-V55 HydrophobicContact CB-CG2 3.81Å; D52-V55 PolarHBondContact O-N 2.84Å | ||
| 53 | P | 62.8 | Low | 62.1 | Low | 120 Ų | 120 | 144.5 Ų | 144.5 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -11.9 | -176.7 | 23.7 | -32.5 | 0 | 0 | 0 | 113.4 | ||
| 54 | N | 57.3 | Low | 60.3 | Low | 155 Ų | 155 | 144.5 Ų | 144.5 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -3.3 | 178.1 | -76.7 | -42.4 | 0 | 0 | 0 | 114.6 | D52 Q56 | D52-N54 PolarHBondContact O-N 3.21Å; N54-Q56 PolarHBondContact O-N 3Å |
| 55 | V | 59 | Low | 58.5 | Low | 94 Ų | 94 | 143.1 Ų | 143.1 | 57% | 0.57 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -83.2 | 100.6 | 173.1 | -177.1 | 0 | 0 | 0 | 0 | 107.2 | D52 R57 | D52-V55 HydrophobicContact CB-CG2 3.81Å; D52-V55 PolarHBondContact O-N 2.84Å; V55-R57 PolarHBondContact O-N 3.33Å |
| 56 | Q | 51.2 | Low | 56.8 | Low | 184 Ų | 184 | 137.7 Ų | 137.7 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | -48.4 | 116.7 | 162.6 | -89.5 | -179.6 | 25.6 | 0 | 0 | 107.1 | N54 E58 | N54-Q56 PolarHBondContact O-N 3Å; Q56-E58 VanDerWaalsContact C-N 3.34Å; Q56-E58 PolarHBondContact O-N 2.94Å | ||
| 57 | R | 57 | Low | 54.9 | Low | 173 Ų | 173 | 139.6 Ų | 139.6 | 65% | 0.653 | 74% | 0.736 | S | S | * | * | trans | -56.4 | 99.9 | 175.8 | -67.9 | 179.5 | -175.9 | 136.9 | -0.2 | 107.4 | N21 V55 T59 | N21-R57 PolarHBondContact OD1-NH1 3.47Å; V55-R57 PolarHBondContact O-N 3.33Å; R57-T59 PolarHBondContact O-N 2.86Å | ||
| 58 | E | 53.7 | Low | 53.7 | Low | 179 Ų | 179 | 140.9 Ų | 140.9 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -59.6 | 113.5 | 160.1 | -77.8 | -174 | 165.6 | 0 | 0 | 105.6 | Q56 T60 | Q56-E58 VanDerWaalsContact C-N 3.34Å; Q56-E58 PolarHBondContact O-N 2.94Å; E58-T60 PolarHBondContact O-N 3.31Å | ||
| 59 | T | 50.8 | Low | 52 | Low | 121 Ų | 121 | 141.5 Ų | 141.5 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | -36.1 | 109.3 | 174.7 | 45 | 0 | 0 | 0 | 0 | 109.5 | R57 K61 | R57-T59 PolarHBondContact O-N 2.86Å; T59-K61 PolarHBondContact O-N 3.37Å | ||
| 60 | T | 49.5 | Very low | 50.5 | Low | 132 Ų | 132 | 144.1 Ų | 144.1 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -61.7 | 96.1 | 169.1 | -48.1 | 0 | 0 | 0 | 0 | 105.8 | E58 I62 | E58-T60 PolarHBondContact O-N 3.31Å; T60-I62 VanDerWaalsContact C-N 3.34Å; T60-I62 PolarHBondContact O-N 3.16Å | ||
| 61 | K | 48.1 | Very low | 49.2 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -57.6 | 104.2 | 168.3 | -84 | -175.6 | 175.4 | -177.7 | 0 | 106 | T59 R63 | T59-K61 PolarHBondContact O-N 3.37Å; K61-R63 PolarHBondContact O-N 3Å | ||
| 62 | I | 50.5 | Low | 48.5 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 57% | 0.574 | 73% | 0.734 | S | S | * | * | trans | -56.3 | 107.1 | 169 | -56 | 171.9 | 0 | 0 | 0 | 105 | L23 T60 T64 | L23-I62 HydrophobicContact CD1-CD1 4.35Å; T60-I62 VanDerWaalsContact C-N 3.34Å; T60-I62 PolarHBondContact O-N 3.16Å; I62-T64 PolarHBondContact O-N 2.81Å | ||
| 63 | R | 44.3 | Very low | 47.6 | Very low | 199 Ų | 199 | 143.4 Ų | 143.4 | 75% | 0.751 | 75% | 0.747 | S | S | * | * | trans | -71.5 | 95.2 | -179.9 | -179.9 | 177.7 | 169.1 | 134 | -5.1 | 107.3 | K61 E65 | K61-R63 PolarHBondContact O-N 3Å; R63-E65 HydrophobicContact CG-CG 3.94Å; R63-E65 IonicContact CZ-OE1 3.24Å; R63-E65 VanDerWaalsContact CZ-OE1 3.24Å; R63-E65 IonicContact NE-OE1 2.8Å; R63-E65 PolarHBondContact NE-OE1 3.03Å; R63-E65 IonicContact NH2-OE1 2.84Å; R63-E65 PolarHBondContact NH2-OE1 3.32Å; R63-E65 PolarHBondContact O-N 2.89Å | ||
| 64 | T | 43.1 | Very low | 46.8 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | trans | -67.1 | 96.1 | 167.6 | -38.9 | 0 | 0 | 0 | 0 | 107.7 | I62 T66 | I62-T64 PolarHBondContact O-N 2.81Å; T64-T66 PolarHBondContact O-N 3.07Å; T64-T66 VanDerWaalsContact O-N 3.11Å | ||
| 65 | E | 47.1 | Very low | 46.1 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | -78.2 | 89.8 | 169.7 | -66.7 | -151.8 | 146.6 | 0 | 0 | 109 | R63 N67 | R63-E65 HydrophobicContact CG-CG 3.94Å; R63-E65 IonicContact CZ-OE1 3.24Å; R63-E65 VanDerWaalsContact CZ-OE1 3.24Å; R63-E65 IonicContact NE-OE1 2.8Å; R63-E65 PolarHBondContact NE-OE1 3.03Å; R63-E65 IonicContact NH2-OE1 2.84Å; R63-E65 PolarHBondContact NH2-OE1 3.32Å; R63-E65 PolarHBondContact O-N 2.89Å; E65-N67 PolarHBondContact O-N 2.79Å | ||
| 66 | T | 43.6 | Very low | 45 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | -71.7 | 117.2 | 163.3 | -45.2 | 0 | 0 | 0 | 0 | 108 | T64 D68 | T64-T66 PolarHBondContact O-N 3.07Å; T64-T66 VanDerWaalsContact O-N 3.11Å; T66-D68 PolarHBondContact O-N 3.01Å | ||
| 67 | N | 38.7 | Very low | 44.5 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | trans | -63.7 | 111.2 | 176.6 | -125.1 | -50 | 0 | 0 | 0 | 109.9 | E65 | E65-N67 PolarHBondContact O-N 2.79Š| ||
| 68 | D | 44.4 | Very low | 44 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -147.6 | 83.5 | 159.9 | -99 | -32.4 | 0 | 0 | 0 | 109.6 | T66 | T66-D68 PolarHBondContact O-N 3.01Š| ||
| 69 | N | 40.5 | Very low | 43.6 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | 57.6 | 160.4 | 141.6 | -86.7 | -43.6 | 0 | 0 | 0 | 120.5 | ||||
| 70 | P | 40 | Very low | 43.3 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | -100.8 | 169 | -118 | 37.7 | -38.4 | 0 | 0 | 0 | 115.5 | |||||
| 71 | V | 36.7 | Very low | 43.1 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 93.4 | 111.7 | 166 | -168.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 72 | P | 42.7 | Very low | 43.2 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | -132 | 121.8 | 120 | 35.4 | -24.4 | 0 | 0 | 0 | 111.5 | V74 | P72-V74 HydrophobicContact CB-CG2 4.18Å; P72-V74 PolarHBondContact O-N 3.07Å | |||
| 73 | K | 38.7 | Very low | 43.2 | Very low | 203 Ų | 203 | 139 Ų | 139 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -59.4 | 101.4 | 154.5 | -72.9 | 175.4 | 176.3 | 175.6 | 0 | 107.2 | ||||
| 74 | V | 45.2 | Very low | 43.8 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -125.1 | 97.7 | 160.3 | -172.2 | 0 | 0 | 0 | 0 | 107 | P72 | P72-V74 HydrophobicContact CB-CG2 4.18Å; P72-V74 PolarHBondContact O-N 3.07Å | ||
| 75 | S | 42.8 | Very low | 44.6 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | -45.9 | 126.3 | 169.9 | 37.2 | 0 | 0 | 0 | 0 | 112.9 | S77 | S75-S77 PolarHBondContact O-N 3.01Š| ||
| 76 | E | 37.5 | Very low | 45.5 | Very low | 193 Ų | 193 | 142 Ų | 142 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | 31.8 | 89.6 | 131.8 | -67.3 | 172.7 | 171.2 | 0 | 0 | 116.2 | ||||
| 77 | S | 39.9 | Very low | 46.5 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | -148.5 | 47.3 | 153.5 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | S75 T79 | S75-S77 PolarHBondContact O-N 3.01Å; S77-T79 PolarHBondContact O-N 2.82Å | ||
| 78 | L | 45.8 | Very low | 47.9 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -87.7 | 60.7 | 161.4 | -72.3 | 170.9 | 0 | 0 | 0 | 109.3 | ||||
| 79 | T | 45.2 | Very low | 48.9 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -124.9 | 42.5 | 173.4 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | S77 | S77-T79 PolarHBondContact O-N 2.82Š| ||
| 80 | S | 45.3 | Very low | 49.9 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -144 | 44 | 163 | 65.5 | 0 | 0 | 0 | 0 | 110.7 | V82 | S80-V82 VanDerWaalsContact C-N 3.31Å; S80-V82 PolarHBondContact O-N 3.19Å | ||
| 81 | I | 44.4 | Very low | 50.1 | Low | 148 Ų | 148 | 147.7 Ų | 147.7 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -60.1 | 105.7 | 156.9 | -66.2 | 170.3 | 0 | 0 | 0 | 105.4 | K83 | I81-K83 PolarHBondContact O-N 3.05Š| ||
| 82 | V | 51.9 | Low | 50.8 | Low | 109 Ų | 109 | 146.2 Ų | 146.2 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | -37.2 | 116.3 | 166.9 | 173.8 | 0 | 0 | 0 | 0 | 107.1 | S80 L84 | S80-V82 VanDerWaalsContact C-N 3.31Å; S80-V82 PolarHBondContact O-N 3.19Å; V82-L84 HydrophobicContact CG1-CD2 4.34Å; V82-L84 PolarHBondContact O-N 3.35Å | ||
| 83 | K | 50.7 | Low | 51.1 | Low | 206 Ų | 206 | 146.2 Ų | 146.2 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | trans | -55.3 | 80.9 | 171.2 | -84.9 | 175.2 | 171.4 | 172.5 | 0 | 108.6 | I81 K85 | I81-K83 PolarHBondContact O-N 3.05Å; K83-K85 PolarHBondContact O-N 2.9Å | ||
| 84 | L | 56.3 | Low | 51.5 | Low | 148 Ų | 148 | 143.4 Ų | 143.4 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -70.2 | 98.2 | 159.2 | -67.2 | 179.8 | 0 | 0 | 0 | 104 | V82 E86 | V82-L84 HydrophobicContact CG1-CD2 4.34Å; V82-L84 PolarHBondContact O-N 3.35Å; L84-E86 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.24Å | ||
| 85 | K | 59.6 | Low | 51.7 | Low | 194 Ų | 194 | 146.5 Ų | 146.5 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -48.5 | 104.3 | 169.6 | -178.1 | 112.4 | 176.3 | 177.3 | 0 | 106.6 | K83 F87 | K83-K85 PolarHBondContact O-N 2.9Å; K85-F87 PolarHBondContact O-N 3.33Å; K85-F87 VanDerWaalsContact O-N 3.07Å | ||
| 86 | E | 67 | Low | 52 | Low | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | -47.3 | 117.3 | 168.7 | -69.7 | 155.7 | -175.2 | 0 | 0 | 106.9 | L84 D88 | L84-E86 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.24Å; E86-D88 PolarHBondContact O-N 2.84Å | ||
| 87 | F | 62.7 | Low | 52.2 | Low | 166 Ų | 166 | 142.8 Ų | 142.8 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | trans | -79.8 | 85.8 | 175.9 | -148.2 | -80.7 | 0 | 0 | 0 | 105.7 | K85 F89 | K85-F87 PolarHBondContact O-N 3.33Å; K85-F87 VanDerWaalsContact O-N 3.07Å; F87-F89 HydrophobicContact CB-CE2 4.41Å; F87-F89 AromaticContact CD1-CD2 3.74Å; F87-F89 HydrophobicContact CD1-CD2 3.74Å; F87-F89 HydrophobicContact CD1-CE1 4.15Å; F87-F89 AromaticContact CD1-CE2 3.26Å; F87-F89 HydrophobicContact CD1-CE2 3.26Å; F87-F89 HydrophobicContact CD1-CG 4.37Å; F87-F89 AromaticContact CD1-CZ 3.49Å; F87-F89 HydrophobicContact CD1-CZ 3.49Å; F87-F89 VanDerWaalsContact CD1-CZ 3.49Å; F87-F89 HydrophobicContact CE1-CD2 4.45Å; F87-F89 AromaticContact CE1-CE1 3.91Å; F87-F89 HydrophobicContact CE1-CE1 3.91Å; F87-F89 AromaticContact CE1-CE2 3.82Å; F87-F89 HydrophobicContact CE1-CE2 3.82Å; F87-F89 AromaticContact CE1-CZ 3.5Å; F87-F89 HydrophobicContact CE1-CZ 3.5Å; F87-F89 HydrophobicContact CG-CE2 4.17Å; F87-F89 PolarHBondContact O-N 2.81Å | ||
| 88 | D | 70 | Confident | 52.4 | Low | 121 Ų | 121 | 146.3 Ų | 146.3 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | trans | -71.6 | 114.5 | 175.4 | -167.5 | -0.4 | 0 | 0 | 0 | 108.6 | E86 D90 | E86-D88 PolarHBondContact O-N 2.84Å; D88-D90 VanDerWaalsContact C-N 3.29Å; D88-D90 WeakPolarHBondContact OD1-CB 3.49Å; D88-D90 PolarHBondContact OD1-N 2.93Å | ||
| 89 | F | 63.9 | Low | 52.2 | Low | 169 Ų | 169 | 143.9 Ų | 143.9 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -90.4 | 7.7 | 176.7 | -84.8 | -84.6 | 0 | 0 | 0 | 111.9 | F87 E91 | F87-F89 HydrophobicContact CB-CE2 4.41Å; F87-F89 AromaticContact CD1-CD2 3.74Å; F87-F89 HydrophobicContact CD1-CD2 3.74Å; F87-F89 HydrophobicContact CD1-CE1 4.15Å; F87-F89 AromaticContact CD1-CE2 3.26Å; F87-F89 HydrophobicContact CD1-CE2 3.26Å; F87-F89 HydrophobicContact CD1-CG 4.37Å; F87-F89 AromaticContact CD1-CZ 3.49Å; F87-F89 HydrophobicContact CD1-CZ 3.49Å; F87-F89 VanDerWaalsContact CD1-CZ 3.49Å; F87-F89 HydrophobicContact CE1-CD2 4.45Å; F87-F89 AromaticContact CE1-CE1 3.91Å; F87-F89 HydrophobicContact CE1-CE1 3.91Å; F87-F89 AromaticContact CE1-CE2 3.82Å; F87-F89 HydrophobicContact CE1-CE2 3.82Å; F87-F89 AromaticContact CE1-CZ 3.5Å; F87-F89 HydrophobicContact CE1-CZ 3.5Å; F87-F89 HydrophobicContact CG-CE2 4.17Å; F87-F89 PolarHBondContact O-N 2.81Å; F89-E91 PolarHBondContact O-N 3.1Å | ||
| 90 | D | 61.8 | Low | 51.9 | Low | 136 Ų | 136 | 142.2 Ų | 142.2 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -76.8 | 96.1 | 177 | -76.1 | -12.7 | 0 | 0 | 0 | 111.5 | D88 S92 | D88-D90 VanDerWaalsContact C-N 3.29Å; D88-D90 WeakPolarHBondContact OD1-CB 3.49Å; D88-D90 PolarHBondContact OD1-N 2.93Å; D90-S92 PolarHBondContact O-N 3.47Å; D90-S92 VanDerWaalsContact O-N 3.07Å | ||
| 91 | E | 44.9 | Very low | 52 | Low | 188 Ų | 188 | 144.3 Ų | 144.3 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | -36.3 | 102.3 | 155 | -173.9 | 162.5 | -176.2 | 0 | 0 | 112.3 | F89 | F89-E91 PolarHBondContact O-N 3.1Š| ||
| 92 | S | 51.8 | Low | 51.7 | Low | 88 Ų | 88 | 142.5 Ų | 142.5 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | trans | -121.4 | 110.5 | 164.2 | 141.4 | 0 | 0 | 0 | 0 | 109.5 | D90 N94 | D90-S92 PolarHBondContact O-N 3.47Å; D90-S92 VanDerWaalsContact O-N 3.07Å; S92-N94 PolarHBondContact O-N 3.36Å; S92-N94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | P | 48.9 | Very low | 51.3 | Low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -85.3 | 83.3 | 177.7 | 34.2 | -30.9 | 0 | 0 | 0 | 109.7 | ||||
| 94 | N | 46.9 | Very low | 50.7 | Low | 143 Ų | 143 | 139.4 Ų | 139.4 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -135.5 | 78 | 169.1 | -72.5 | -54.2 | 0 | 0 | 0 | 110.9 | S92 | S92-N94 PolarHBondContact O-N 3.36Å; S92-N94 VanDerWaalsContact O-N 3.16Å | ||
| 95 | Q | 49.6 | Very low | 49.9 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -3.9 | 171.3 | 141.4 | -132.3 | -144.1 | -7.2 | 0 | 0 | 119.4 | ||||
| 96 | P | 48 | Very low | 49.1 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 60% | 0.604 | 77% | 0.767 | S | S | * | * | -129.9 | 174 | -82.3 | 41.9 | -26 | 0 | 0 | 0 | 112.5 | |||||
| 97 | S | 41.1 | Very low | 48 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -176.7 | 102.2 | 147.6 | 37.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 98 | I | 45.4 | Very low | 47 | Very low | 170 Ų | 170 | 127.9 Ų | 127.9 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -141 | 130.7 | 153.7 | -43.4 | 175.8 | 0 | 0 | 0 | 107.5 | ||||
| 99 | P | 41.2 | Very low | 45.6 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -95.5 | 157.8 | -155.4 | 38.6 | -37.1 | 0 | 0 | 0 | 114.9 | ||||
| 100 | S | 38.4 | Very low | 44.5 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 52.7 | 103.8 | 139.8 | 58.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 101 | V | 47.7 | Very low | 43.6 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | -144 | 125.1 | 129.5 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 102 | P | 38.3 | Very low | 44 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -101.9 | 136.1 | -178.5 | 35.9 | -26.5 | 0 | 0 | 0 | 111.1 | ||||
| 103 | L | 43.7 | Very low | 44.2 | Very low | 182 Ų | 182 | 126.3 Ų | 126.3 | 95% | 0.953 | 78% | 0.777 | S | S | * | * | trans | -174.6 | 133.2 | 139.2 | -139.2 | 56.2 | 0 | 0 | 0 | 111.5 | ||||
| 104 | G | 37.9 | Very low | 44.4 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 108 | 85 | 144.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 105 | A | 39.9 | Very low | 44.6 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | 74.9 | 130 | 128.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 106 | A | 42.5 | Very low | 44.9 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | 72.7 | 93 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 107 | A | 43.6 | Very low | 45 | Very low | 78 Ų | 78 | 138 Ų | 138 | 65% | 0.645 | 80% | 0.799 | S | S | * | * | 92.2 | 112.7 | 78.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 108 | Q | 41.4 | Very low | 45.1 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | 67.9 | 133.1 | 133.7 | -59.9 | 175.8 | -13.3 | 0 | 0 | 117.6 | ||||
| 109 | N | 41.9 | Very low | 45.4 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | 91.1 | 81.9 | 172.8 | -44.2 | -43.6 | 0 | 0 | 0 | 113.2 | ||||
| 110 | A | 40.8 | Very low | 45.9 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | 56 | 102.6 | 75 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 111 | N | 42.9 | Very low | 46.4 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | 47.1 | 75.5 | 145.6 | -65.9 | -56.6 | 0 | 0 | 0 | 117.8 | ||||
| 112 | L | 53.2 | Low | 46.5 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -138.5 | 131.1 | 157.8 | -83.5 | 161.7 | 0 | 0 | 0 | 109.8 | L114 | L112-L114 PolarHBondContact O-N 3.5Š| ||
| 113 | P | 56.1 | Low | 47.5 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -62.3 | 123.8 | 174.5 | 25.6 | -30.9 | 0 | 0 | 0 | 108.2 | R115 | P113-R115 PolarHBondContact O-N 2.96Š| ||
| 114 | L | 52.8 | Low | 48.7 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -61.9 | 82.1 | 176.8 | -77.1 | 155.6 | 0 | 0 | 0 | 109.8 | L112 R116 | L112-L114 PolarHBondContact O-N 3.5Å; L114-R116 VanDerWaalsContact C-N 3.32Å; L114-R116 PolarHBondContact O-N 3.33Å | ||
| 115 | R | 51.5 | Low | 50.2 | Low | 232 Ų | 232 | 137.7 Ų | 137.7 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | -62 | 97.9 | 162.6 | -171.2 | 176.3 | -170.7 | 150.4 | 1.5 | 105.9 | P113 L117 | P113-R115 PolarHBondContact O-N 2.96Å; R115-L117 VanDerWaalsContact C-N 3.32Å; R115-L117 PolarHBondContact O-N 2.86Å | ||
| 116 | R | 54.9 | Low | 51.9 | Low | 221 Ų | 221 | 142.2 Ų | 142.2 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -58.7 | 97.2 | 174.5 | -77.2 | -179.8 | 162.9 | 171.4 | -3.9 | 108.6 | L114 | L114-R116 VanDerWaalsContact C-N 3.32Å; L114-R116 PolarHBondContact O-N 3.33Å | ||
| 117 | L | 50.8 | Low | 53.4 | Low | 159 Ų | 159 | 145.8 Ų | 145.8 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -53.4 | 142.7 | 164.4 | -83.1 | 153.3 | 0 | 0 | 0 | 109.3 | R115 G119 | R115-L117 VanDerWaalsContact C-N 3.32Å; R115-L117 PolarHBondContact O-N 2.86Å; L117-G119 PolarHBondContact O-N 2.83Å | ||
| 118 | A | 43 | Very low | 55 | Low | 113 Ų | 113 | 148 Ų | 148 | 93% | 0.934 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -32 | 107.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 119 | G | 50.5 | Low | 56.9 | Low | 59 Ų | 59 | 149.3 Ų | 149.3 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | trans | -142.9 | 120.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | L117 S121 | L117-G119 PolarHBondContact O-N 2.83Å; G119-S121 PolarHBondContact O-N 2.95Å | ||
| 120 | T | 53.2 | Low | 58.7 | Low | 148 Ų | 148 | 148.3 Ų | 148.3 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | -57.5 | 65.8 | 168.7 | 46.3 | 0 | 0 | 0 | 0 | 110.4 | R122 | T120-R122 PolarHBondContact O-N 3.05Š| ||
| 121 | S | 47.2 | Very low | 60.6 | Low | 76 Ų | 76 | 146.3 Ų | 146.3 | 53% | 0.531 | 77% | 0.765 | S | S | . | * | trans | -84 | 95.9 | 179.2 | 175.4 | 0 | 0 | 0 | 0 | 107.8 | G119 H123 | G119-S121 PolarHBondContact O-N 2.95Å; S121-H123 PolarHBondContact O-N 3.03Å; S121-H123 PolarHBondContact OG-CD2 3Å; S121-H123 VanDerWaalsContact OG-CD2 3.3Å; S121-H123 PolarHBondContact OG-NE2 2.88Å; S121-H123 VanDerWaalsContact OG-NE2 3.08Å | ||
| 122 | R | 51.5 | Low | 62.7 | Low | 242 Ų | 242 | 141.9 Ų | 141.9 | 91% | 0.913 | 75% | 0.747 | S | S | * | * | trans | -59.4 | 75.8 | 163.6 | -66.1 | -179.8 | 175.6 | -153.8 | -1 | 109 | T120 | T120-R122 PolarHBondContact O-N 3.05Š| ||
| 123 | H | 58.6 | Low | 64.4 | Low | 126 Ų | 126 | 140.4 Ų | 140.4 | 58% | 0.583 | 74% | 0.738 | S | S | * | * | trans | -65 | 130.5 | 160.4 | -75.5 | -64.1 | 0 | 0 | 0 | 107 | S121 | S121-H123 PolarHBondContact O-N 3.03Å; S121-H123 PolarHBondContact OG-CD2 3Å; S121-H123 VanDerWaalsContact OG-CD2 3.3Å; S121-H123 PolarHBondContact OG-NE2 2.88Å; S121-H123 VanDerWaalsContact OG-NE2 3.08Å | ||
| 124 | P | 68.7 | Low | 66 | Low | 103 Ų | 103 | 139.9 Ų | 139.9 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | trans | -53 | 143.8 | 171.8 | 18.8 | -27.4 | 0 | 0 | 0 | 108.4 | R126 | P124-R126 PolarHBondContact O-N 3.05Š| ||
| 125 | P | 70.1 | Confident | 67.7 | Low | 129 Ų | 129 | 137.1 Ų | 137.1 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -51.4 | 109.3 | -177.5 | -21.3 | 29.1 | 0 | 0 | 0 | 108.7 | Q127 | P125-Q127 PolarHBondContact O-N 2.66Å; P125-Q127 VanDerWaalsContact O-N 3.14Å | ||
| 126 | R | 74.6 | Confident | 69.4 | Low | 193 Ų | 193 | 129 Ų | 129 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | trans | -64.7 | 121.4 | 171.4 | -62.9 | -175.6 | 97.8 | 150.8 | 6.3 | 104.5 | P124 | P124-R126 PolarHBondContact O-N 3.05Š| ||
| 127 | Q | 74.4 | Confident | 71.2 | Confident | 171 Ų | 171 | 122 Ų | 122 | 80% | 0.799 | 66% | 0.661 | S | S | * | * | trans | -48.8 | 136.8 | 175 | -73.3 | 178.8 | -29.3 | 0 | 0 | 108.6 | P125 R129 | P125-Q127 PolarHBondContact O-N 2.66Å; P125-Q127 VanDerWaalsContact O-N 3.14Å; Q127-R129 PolarHBondContact O-N 3.34Å | ||
| 128 | P | 78.3 | Confident | 73 | Confident | 125 Ų | 125 | 118.8 Ų | 118.8 | 81% | 0.812 | 65% | 0.645 | S | S | * | * | trans | -50.9 | 115.2 | 172.9 | -22.8 | 31.8 | 0 | 0 | 0 | 108.1 | V130 | P128-V130 PolarHBondContact O-N 3.34Å; P128-V130 VanDerWaalsContact O-N 3.16Å | ||
| 129 | R | 80.9 | Confident | 75.2 | Confident | 200 Ų | 200 | 116.5 Ų | 116.5 | 76% | 0.755 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -69 | 116.8 | 173.5 | -68.2 | -173.7 | 178.3 | 125 | -9.2 | 106.3 | Q127 A131 | Q127-R129 PolarHBondContact O-N 3.34Å; R129-A131 PolarHBondContact O-N 3Å |
| 130 | V | 79 | Confident | 76.9 | Confident | 134 Ų | 134 | 119.7 Ų | 119.7 | 81% | 0.812 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 131.4 | 170.6 | -173.4 | 0 | 0 | 0 | 0 | 107.1 | P128 | P128-V130 PolarHBondContact O-N 3.34Å; P128-V130 VanDerWaalsContact O-N 3.16Å |
| 131 | A | 81.4 | Confident | 78.5 | Confident | 38 Ų | 38 | 117.8 Ų | 117.8 | 31% | 0.314 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 141.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | R129 K135 I136 | R129-A131 PolarHBondContact O-N 3Å; A131-K135 HydrophobicContact CB-CB 4.33Å; A131-K135 HydrophobicContact CB-CD 4.12Å; A131-K135 HydrophobicContact CB-CG 4.45Å; A131-I136 HydrophobicContact CB-CD1 4.4Å; A131-I136 HydrophobicContact CB-CG1 3.91Å |
| 132 | S | 86.3 | Confident | 80.3 | Confident | 68 Ų | 68 | 121 Ų | 121 | 48% | 0.476 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 145.4 | 171.4 | 174.9 | 0 | 0 | 0 | 0 | 110 | D134 K135 I136 | S132-D134 PolarHBondContact O-N 3.17Å; S132-D134 VanDerWaalsContact O-N 3.16Å; S132-D134 PolarHBondContact OG-N 3.32Å; S132-D134 PolarHBondContact OG-OD2 3.25Å; S132-K135 WeakPolarHBondContact O-CA 3.44Å; S132-K135 WeakPolarHBondContact O-CB 3.41Å; S132-K135 PolarHBondContact O-N 3.19Å; S132-I136 PolarHBondContact O-N 2.78Å |
| 133 | M | 89.3 | Confident | 81.7 | Confident | 124 Ų | 124 | 114.4 Ų | 114.4 | 61% | 0.611 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -49.6 | -39.8 | 172.5 | -177 | 60.9 | 73.2 | 0 | 0 | 110.8 | K135 I136 L137 | M133-K135 VanDerWaalsContact C-N 3.29Å; M133-K135 PolarHBondContact O-N 3.38Å; M133-I136 PolarHBondContact O-N 2.89Å; M133-L137 HydrophobicContact CG-CD1 3.93Å; M133-L137 HydrophobicContact CG-CG 4.24Å; M133-L137 WeakPolarHBondContact O-CB 3.26Å; M133-L137 VanDerWaalsContact O-CG 3.27Å; M133-L137 WeakPolarHBondContact O-CG 3.4Å; M133-L137 PolarHBondContact O-N 2.92Å; M133-L137 HydrophobicContact SD-CD1 4.38Å; M133-L137 HydrophobicContact SD-CG 4.17Å |
| 134 | D | 88.8 | Confident | 82.3 | Confident | 107 Ų | 107 | 116.5 Ų | 116.5 | 57% | 0.572 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.1 | -38.2 | 176.8 | -56.2 | -42.3 | 0 | 0 | 0 | 112.6 | S132 N138 | S132-D134 PolarHBondContact O-N 3.17Å; S132-D134 VanDerWaalsContact O-N 3.16Å; S132-D134 PolarHBondContact OG-N 3.32Å; S132-D134 PolarHBondContact OG-OD2 3.25Å; D134-N138 WeakPolarHBondContact O-CB 3.34Å; D134-N138 PolarHBondContact O-N 3.18Å; D134-N138 PolarHBondContact O-ND2 3.37Å |
| 135 | K | 89 | Confident | 82.3 | Confident | 112 Ų | 112 | 120.2 Ų | 120.2 | 49% | 0.487 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.8 | -42.7 | 178 | -174.4 | 178 | -178.9 | -60.2 | 0 | 110.5 | A131 S132 M133 N138 D139 | A131-K135 HydrophobicContact CB-CB 4.33Å; A131-K135 HydrophobicContact CB-CD 4.12Å; A131-K135 HydrophobicContact CB-CG 4.45Å; S132-K135 WeakPolarHBondContact O-CA 3.44Å; S132-K135 WeakPolarHBondContact O-CB 3.41Å; S132-K135 PolarHBondContact O-N 3.19Å; M133-K135 VanDerWaalsContact C-N 3.29Å; M133-K135 PolarHBondContact O-N 3.38Å; K135-N138 PolarHBondContact O-N 3.42Å; K135-D139 IonicContact NZ-OD2 2.81Å; K135-D139 PolarHBondContact NZ-OD2 3.48Å; K135-D139 WeakPolarHBondContact O-CB 3.4Å; K135-D139 VanDerWaalsContact O-CG 3.24Å; K135-D139 PolarHBondContact O-N 3.2Å |
| 136 | I | 87.9 | Confident | 81.5 | Confident | 61 Ų | 61 | 121.8 Ų | 121.8 | 31% | 0.313 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.9 | -51.7 | 176.5 | -63.3 | 169.5 | 0 | 0 | 0 | 109.3 | A131 S132 M133 N138 D139 F140 | A131-I136 HydrophobicContact CB-CD1 4.4Å; A131-I136 HydrophobicContact CB-CG1 3.91Å; S132-I136 PolarHBondContact O-N 2.78Å; M133-I136 PolarHBondContact O-N 2.89Å; I136-N138 PolarHBondContact O-N 3.41Å; I136-D139 PolarHBondContact O-N 2.99Å; I136-F140 HydrophobicContact CG2-CD2 3.64Å; I136-F140 HydrophobicContact CG2-CE2 3.6Å; I136-F140 VanDerWaalsContact O-CD2 3.26Å; I136-F140 WeakPolarHBondContact O-CD2 3.43Å; I136-F140 PolarHBondContact O-N 3.46Å |
| 137 | L | 92.1 | Very high | 80.5 | Confident | 75 Ų | 75 | 118 Ų | 118 | 39% | 0.393 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59 | -45.9 | 177.9 | -68.9 | 175.7 | 0 | 0 | 0 | 111.6 | M133 D139 F140 F141 | M133-L137 HydrophobicContact CG-CD1 3.93Å; M133-L137 HydrophobicContact CG-CG 4.24Å; M133-L137 WeakPolarHBondContact O-CB 3.26Å; M133-L137 VanDerWaalsContact O-CG 3.27Å; M133-L137 WeakPolarHBondContact O-CG 3.4Å; M133-L137 PolarHBondContact O-N 2.92Å; M133-L137 HydrophobicContact SD-CD1 4.38Å; M133-L137 HydrophobicContact SD-CG 4.17Å; L137-D139 VanDerWaalsContact C-N 3.32Å; L137-D139 PolarHBondContact O-N 3.46Å; L137-F140 CarbonylContact O-C 3.24Å; L137-F140 WeakPolarHBondContact O-CB 3.46Å; L137-F140 PolarHBondContact O-N 2.96Å; L137-F140 VanDerWaalsContact O-N 3.16Å; L137-F141 HydrophobicContact CB-CD2 4.34Å; L137-F141 HydrophobicContact CB-CE2 4.18Å; L137-F141 WeakPolarHBondContact O-CD2 3.47Å; L137-F141 PolarHBondContact O-N 3.03Å |
| 138 | N | 89.4 | Confident | 79.4 | Confident | 91 Ų | 91 | 115.1 Ų | 115.1 | 49% | 0.487 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.2 | -41 | 176.5 | -80.8 | -39.5 | 0 | 0 | 0 | 112.5 | D134 K135 I136 F141 K142 | D134-N138 WeakPolarHBondContact O-CB 3.34Å; D134-N138 PolarHBondContact O-N 3.18Å; D134-N138 PolarHBondContact O-ND2 3.37Å; K135-N138 PolarHBondContact O-N 3.42Å; I136-N138 PolarHBondContact O-N 3.41Å; N138-F141 PolarHBondContact O-N 3.44Å; N138-K142 WeakPolarHBondContact O-CB 3.46Å; N138-K142 VanDerWaalsContact O-CG 3.26Å; N138-K142 WeakPolarHBondContact O-CG 3.36Å; N138-K142 PolarHBondContact O-N 2.75Å |
| 139 | D | 87.9 | Confident | 77.7 | Confident | 65 Ų | 65 | 114.3 Ų | 114.3 | 35% | 0.348 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.7 | -39.6 | 176.1 | -69.3 | -16.8 | 0 | 0 | 0 | 110.4 | K135 I136 L137 F141 K142 T143 | K135-D139 IonicContact NZ-OD2 2.81Å; K135-D139 PolarHBondContact NZ-OD2 3.48Å; K135-D139 WeakPolarHBondContact O-CB 3.4Å; K135-D139 VanDerWaalsContact O-CG 3.24Å; K135-D139 PolarHBondContact O-N 3.2Å; I136-D139 PolarHBondContact O-N 2.99Å; L137-D139 VanDerWaalsContact C-N 3.32Å; L137-D139 PolarHBondContact O-N 3.46Å; D139-F141 PolarHBondContact O-N 3.05Å; D139-K142 PolarHBondContact O-N 3.5Å; D139-T143 WeakPolarHBondContact O-CB 3.1Å; D139-T143 VanDerWaalsContact O-CG2 3.27Å; D139-T143 WeakPolarHBondContact O-CG2 3.42Å; D139-T143 PolarHBondContact O-N 3.33Å; D139-T143 PolarHBondContact O-OG1 2.98Å |
| 140 | F | 86.9 | Confident | 76 | Confident | 125 Ų | 125 | 109.9 Ų | 109.9 | 55% | 0.548 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.4 | -32.2 | 172.1 | -89.7 | -77.1 | 0 | 0 | 0 | 114.2 | I136 L137 T143 R144 | I136-F140 HydrophobicContact CG2-CD2 3.64Å; I136-F140 HydrophobicContact CG2-CE2 3.6Å; I136-F140 VanDerWaalsContact O-CD2 3.26Å; I136-F140 WeakPolarHBondContact O-CD2 3.43Å; I136-F140 PolarHBondContact O-N 3.46Å; L137-F140 CarbonylContact O-C 3.24Å; L137-F140 WeakPolarHBondContact O-CB 3.46Å; L137-F140 PolarHBondContact O-N 2.96Å; L137-F140 VanDerWaalsContact O-N 3.16Å; F140-T143 WeakPolarHBondContact CA-OG1 3.48Å; F140-T143 PolarHBondContact O-OG1 2.98Å; F140-R144 WeakPolarHBondContact O-CG 3.48Å; F140-R144 PolarHBondContact O-NE 3.49Å |
| 141 | F | 86.1 | Confident | 74 | Confident | 108 Ų | 108 | 108 Ų | 108 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -82.2 | -34.5 | 176.9 | -74.1 | -66.1 | 0 | 0 | 0 | 112.4 | L137 N138 D139 R144 K145 | L137-F141 HydrophobicContact CB-CD2 4.34Å; L137-F141 HydrophobicContact CB-CE2 4.18Å; L137-F141 WeakPolarHBondContact O-CD2 3.47Å; L137-F141 PolarHBondContact O-N 3.03Å; N138-F141 PolarHBondContact O-N 3.44Å; D139-F141 PolarHBondContact O-N 3.05Å; F141-R144 PolarHBondContact O-N 3.07Å; F141-K145 PolarHBondContact O-N 3.24Å |
| 142 | K | 86.1 | Confident | 72.2 | Confident | 145 Ų | 145 | 112.8 Ų | 112.8 | 63% | 0.63 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.4 | -44.8 | 174.7 | -77.6 | 177.2 | 178.8 | -171.3 | 0 | 111.6 | N138 D139 R144 K145 E146 | N138-K142 WeakPolarHBondContact O-CB 3.46Å; N138-K142 VanDerWaalsContact O-CG 3.26Å; N138-K142 WeakPolarHBondContact O-CG 3.36Å; N138-K142 PolarHBondContact O-N 2.75Å; D139-K142 PolarHBondContact O-N 3.5Å; K142-R144 PolarHBondContact O-N 3.15Å; K142-K145 PolarHBondContact O-N 3.3Å; K142-K145 VanDerWaalsContact O-N 3.08Å; K142-E146 PolarHBondContact O-N 2.65Å |
| 143 | T | 81 | Confident | 70.1 | Confident | 102 Ų | 102 | 115.8 Ų | 115.8 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.2 | -26 | 178.5 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | D139 F140 | D139-T143 WeakPolarHBondContact O-CB 3.1Å; D139-T143 VanDerWaalsContact O-CG2 3.27Å; D139-T143 WeakPolarHBondContact O-CG2 3.42Å; D139-T143 PolarHBondContact O-N 3.33Å; D139-T143 PolarHBondContact O-OG1 2.98Å; F140-T143 WeakPolarHBondContact CA-OG1 3.48Å; F140-T143 PolarHBondContact O-OG1 2.98Å |
| 144 | R | 70.5 | Confident | 67.9 | Low | 171 Ų | 171 | 115.9 Ų | 115.9 | 65% | 0.645 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -85.7 | -15.7 | 173.6 | -71.6 | -175.5 | -71.8 | 179.8 | -2.6 | 114.4 | F140 F141 K142 | F140-R144 WeakPolarHBondContact O-CG 3.48Å; F140-R144 PolarHBondContact O-NE 3.49Å; F141-R144 PolarHBondContact O-N 3.07Å; K142-R144 PolarHBondContact O-N 3.15Å |
| 145 | K | 67.7 | Low | 65.8 | Low | 181 Ų | 181 | 119.4 Ų | 119.4 | 79% | 0.787 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -93.5 | -7.9 | 178.5 | -81.2 | -166.4 | 176.4 | -172.8 | 0 | 113.7 | F141 K142 P147 | F141-K145 PolarHBondContact O-N 3.24Å; K142-K145 PolarHBondContact O-N 3.3Å; K142-K145 VanDerWaalsContact O-N 3.08Å; K145-P147 VanDerWaalsContact O-CD 3.22Å; K145-P147 WeakPolarHBondContact O-CD 3.39Å |
| 146 | E | 53.9 | Low | 63.5 | Low | 161 Ų | 161 | 121.5 Ų | 121.5 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -85 | 112.5 | 169.3 | -127.5 | -156.2 | -171.6 | 0 | 0 | 109.5 | K142 S148 | K142-E146 PolarHBondContact O-N 2.65Å; E146-S148 PolarHBondContact O-N 2.92Å |
| 147 | P | 53.9 | Low | 61.3 | Low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | -64.9 | 118.5 | 168.4 | 27.6 | -31.7 | 0 | 0 | 0 | 107.9 | K145 S149 | K145-P147 VanDerWaalsContact O-CD 3.22Å; K145-P147 WeakPolarHBondContact O-CD 3.39Å; P147-S149 PolarHBondContact O-N 3.28Å | ||
| 148 | S | 50.1 | Low | 58.8 | Low | 111 Ų | 111 | 126.1 Ų | 126.1 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -48.3 | 134.3 | 167.2 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | E146 | E146-S148 PolarHBondContact O-N 2.92Š| ||
| 149 | S | 42.6 | Very low | 56.6 | Low | 108 Ų | 108 | 127.9 Ų | 127.9 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | 96.6 | 152.6 | 154 | -159.2 | 0 | 0 | 0 | 0 | 117.8 | P147 | P147-S149 PolarHBondContact O-N 3.28Š| ||
| 150 | P | 46.7 | Very low | 54.3 | Low | 107 Ų | 107 | 129.9 Ų | 129.9 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | cis | -129.7 | 161.5 | -7.3 | 11.4 | 14.3 | 0 | 0 | 0 | 115.4 | ||||
| 151 | A | 36.4 | Very low | 52.2 | Low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | trans | 44.2 | 103.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 152 | V | 44.1 | Very low | 50 | Low | 139 Ų | 139 | 132.8 Ų | 132.8 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | -137.3 | 121.8 | 139.9 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 153 | V | 41.8 | Very low | 48 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -72.5 | 122.5 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 154 | T | 43.4 | Very low | 46.1 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -150.8 | 102.8 | 152.5 | -46.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 155 | E | 44 | Very low | 44.5 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 28.6 | 129.6 | 146.7 | -52.2 | -167.6 | 171.1 | 0 | 0 | 122.8 | ||||
| 156 | I | 41.1 | Very low | 43.5 | Very low | 155 Ų | 155 | 130 Ų | 130 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | -73.8 | 164.3 | 174.9 | -30.2 | 176.7 | 0 | 0 | 0 | 110.2 | ||||
| 157 | P | 41.3 | Very low | 43 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | -150.1 | 141.1 | 83 | 39.8 | -20.1 | 0 | 0 | 0 | 116.6 | |||||
| 158 | T | 40.9 | Very low | 42.6 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | 57.8 | 111.2 | 142.9 | 40.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 159 | S | 41.8 | Very low | 42.4 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | -151.9 | 114.1 | 119.3 | -75.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 160 | S | 39.6 | Very low | 42.2 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -73.5 | 123.5 | -175.9 | 46.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 161 | I | 43.4 | Very low | 42 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | trans | -135.1 | 116.8 | 148.4 | -66.5 | -176.1 | 0 | 0 | 0 | 107.7 | ||||
| 162 | T | 38.9 | Very low | 42.2 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -78.8 | 118.5 | 178.3 | -46 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 163 | A | 45.5 | Very low | 42 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -140.9 | 125.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 164 | H | 41.1 | Very low | 41.9 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -56 | 129.8 | -164.8 | -78.6 | -88.8 | 0 | 0 | 0 | 114.6 | ||||
| 165 | C | 36.9 | Very low | 41.8 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | -69.1 | 136.8 | 162.7 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 166 | I | 45.8 | Very low | 41.7 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -117 | 109.7 | 142.2 | -59.6 | 175.6 | 0 | 0 | 0 | 105.8 | ||||
| 167 | P | 44.7 | Very low | 41.9 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -94.6 | 97 | 161.5 | 29.9 | -17.6 | 0 | 0 | 0 | 107.5 | S169 | P167-S169 PolarHBondContact O-N 3.41Š| ||
| 168 | S | 43.8 | Very low | 42 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -76 | 116.6 | 170.8 | -164.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 169 | S | 46 | Very low | 42.1 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -77.3 | 161.2 | 176.4 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | P167 | P167-S169 PolarHBondContact O-N 3.41Š| ||
| 170 | G | 38.9 | Very low | 42.3 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 106.8 | 115.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 171 | I | 41.6 | Very low | 42.6 | Very low | 171 Ų | 171 | 130 Ų | 130 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | cis | -159.4 | 124.8 | 37.5 | -20.7 | 168 | 0 | 0 | 0 | 106.1 | Q173 | I171-Q173 PolarHBondContact O-N 3.03Š| ||
| 172 | S | 42 | Very low | 42.8 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -76.2 | 114.6 | 168.2 | -56.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 173 | Q | 40.4 | Very low | 43.1 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -138.1 | 98.6 | 144.4 | -79.2 | -164 | 11.6 | 0 | 0 | 108.1 | I171 T175 | I171-Q173 PolarHBondContact O-N 3.03Å; Q173-T175 PolarHBondContact O-N 3.19Å | ||
| 174 | A | 37.9 | Very low | 43 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -75.9 | 106.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 175 | T | 42.6 | Very low | 43.2 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -90 | 101.4 | 163.4 | -42.1 | 0 | 0 | 0 | 0 | 106.9 | Q173 I177 | Q173-T175 PolarHBondContact O-N 3.19Å; T175-I177 PolarHBondContact O-N 3.41Å | ||
| 176 | N | 41.7 | Very low | 43.7 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -57.4 | 114.3 | 167.7 | -83 | -61.8 | 0 | 0 | 0 | 108.8 | ||||
| 177 | I | 44.8 | Very low | 43.9 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 80% | 0.795 | 78% | 0.778 | S | S | * | * | trans | -97.3 | 106.5 | 163.9 | -35.4 | 177 | 0 | 0 | 0 | 105.5 | T175 N179 | T175-I177 PolarHBondContact O-N 3.41Å; I177-N179 PolarHBondContact O-N 3.07Å | ||
| 178 | S | 43.6 | Very low | 44.1 | Very low | 87 Ų | 87 | 135.1 Ų | 135.1 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | trans | -61.6 | 119.5 | 178.2 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | D180 | S178-D180 PolarHBondContact O-N 3.38Å; S178-D180 PolarHBondContact OG-OD2 3.13Å | ||
| 179 | N | 44 | Very low | 44.6 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -88 | 87.5 | 164.2 | -82.8 | -17.5 | 0 | 0 | 0 | 108.5 | I177 T181 | I177-N179 PolarHBondContact O-N 3.07Å; N179-T181 PolarHBondContact O-N 3.48Å | ||
| 180 | D | 45.8 | Very low | 45.3 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -87.1 | 101.2 | 164.2 | -80.6 | -51.9 | 0 | 0 | 0 | 109.7 | S178 N182 | S178-D180 PolarHBondContact O-N 3.38Å; S178-D180 PolarHBondContact OG-OD2 3.13Å; D180-N182 PolarHBondContact O-N 3.01Å | ||
| 181 | T | 45.2 | Very low | 46.3 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -78.5 | 106.2 | 169.6 | -53.8 | 0 | 0 | 0 | 0 | 108.3 | N179 | N179-T181 PolarHBondContact O-N 3.48Š| ||
| 182 | N | 48.5 | Very low | 47.3 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -121.2 | 113 | 159.9 | -87.1 | -34 | 0 | 0 | 0 | 110 | D180 S184 | D180-N182 PolarHBondContact O-N 3.01Å; N182-S184 PolarHBondContact O-N 3.03Å | ||
| 183 | K | 44 | Very low | 48.5 | Very low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | trans | -51.6 | 125.9 | 168.5 | -79.3 | 175.9 | 170.8 | -179.1 | 0 | 110.4 | ||||
| 184 | S | 44.7 | Very low | 49.7 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -156.8 | 123.7 | 139 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | N182 | N182-S184 PolarHBondContact O-N 3.03Š| ||
| 185 | N | 43.8 | Very low | 51.3 | Low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | -30.2 | 129.6 | 164.7 | -78.4 | -20.1 | 0 | 0 | 0 | 115.1 | ||||
| 186 | N | 47.9 | Very low | 52.5 | Low | 139 Ų | 139 | 138.8 Ų | 138.8 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | 165.2 | 138.7 | 109.9 | -88.9 | -22.2 | 0 | 0 | 0 | 111.7 | |||||
| 187 | N | 49.4 | Very low | 53.9 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | trans | 73.7 | 91.5 | 149.8 | -63.2 | -9.5 | 0 | 0 | 0 | 120.4 | N189 | N187-N189 VanDerWaalsContact C-N 3.34Å; N187-N189 PolarHBondContact O-N 2.88Å | ||
| 188 | N | 49.8 | Very low | 54.9 | Low | 161 Ų | 161 | 131.9 Ų | 131.9 | 86% | 0.861 | 70% | 0.695 | S | S | * | * | S | Bend | 48.8 | 12.8 | 116.4 | -62.3 | -6.9 | 0 | 0 | 0 | 123.1 | |||
| 189 | N | 54 | Low | 56 | Low | 134 Ų | 134 | 130.5 Ų | 130.5 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | trans | -118.8 | 9.2 | 176.1 | -73.5 | -6.8 | 0 | 0 | 0 | 115.5 | N187 E191 | N187-N189 VanDerWaalsContact C-N 3.34Å; N187-N189 PolarHBondContact O-N 2.88Å; N189-E191 PolarHBondContact O-N 3.41Å | ||
| 190 | S | 61.2 | Low | 57.2 | Low | 69 Ų | 69 | 127 Ų | 127 | 48% | 0.483 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -81 | -1.1 | -165.2 | 80.3 | 0 | 0 | 0 | 0 | 118.1 | K194 | S190-K194 WeakPolarHBondContact O-CD 3.26Å; S190-K194 VanDerWaalsContact O-CG 3.26Å; S190-K194 WeakPolarHBondContact O-CG 3.32Å |
| 191 | E | 58.5 | Low | 58.1 | Low | 145 Ų | 145 | 126.6 Ų | 126.6 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -85.6 | -27.9 | -180 | -76.9 | -156.9 | 160.3 | 0 | 0 | 113.9 | N189 | N189-E191 PolarHBondContact O-N 3.41Å |
| 192 | Q | 64.4 | Low | 59.2 | Low | 154 Ų | 154 | 126.8 Ų | 126.8 | 72% | 0.72 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71.2 | -48 | 178.1 | -165.3 | 104.2 | -17.1 | 0 | 0 | 110.6 | K194 R195 E196 | Q192-K194 VanDerWaalsContact C-N 3.26Å; Q192-K194 PolarHBondContact O-N 3.38Å; Q192-R195 PolarHBondContact O-N 3.06Å; Q192-E196 PolarHBondContact O-N 3.16Å; Q192-E196 VanDerWaalsContact O-N 3.13Å |
| 193 | D | 65.8 | Low | 60.1 | Low | 109 Ų | 109 | 123 Ų | 123 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -62.8 | -31.3 | -178.9 | -63.6 | -11.4 | 0 | 0 | 0 | 112.7 | A197 | D193-A197 WeakPolarHBondContact O-CB 3.43Å; D193-A197 PolarHBondContact O-N 2.99Å |
| 194 | K | 65.9 | Low | 61.2 | Low | 130 Ų | 130 | 121.5 Ų | 121.5 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.8 | -32.6 | 175.3 | -74.3 | 174.7 | -173.3 | 172 | 0 | 112.7 | S190 Q192 L198 | S190-K194 WeakPolarHBondContact O-CD 3.26Å; S190-K194 VanDerWaalsContact O-CG 3.26Å; S190-K194 WeakPolarHBondContact O-CG 3.32Å; Q192-K194 VanDerWaalsContact C-N 3.26Å; Q192-K194 PolarHBondContact O-N 3.38Å; K194-L198 WeakPolarHBondContact O-CG 3.46Å; K194-L198 PolarHBondContact O-N 3.5Å |
| 195 | R | 71 | Confident | 61.7 | Low | 186 Ų | 186 | 119.2 Ų | 119.2 | 70% | 0.702 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.3 | -35.7 | 177.2 | -68 | -174.9 | -176.1 | -171.2 | 4 | 111.5 | Q192 L198 A199 | Q192-R195 PolarHBondContact O-N 3.06Å; R195-L198 PolarHBondContact O-N 2.81Å; R195-A199 PolarHBondContact O-N 3.02Å |
| 196 | E | 68.5 | Low | 61.9 | Low | 130 Ų | 130 | 117.1 Ų | 117.1 | 61% | 0.607 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.2 | -40.6 | 176.4 | -164.9 | 170.1 | -169.6 | 0 | 0 | 111.9 | Q192 L198 A199 V200 | Q192-E196 PolarHBondContact O-N 3.16Å; Q192-E196 VanDerWaalsContact O-N 3.13Å; E196-L198 VanDerWaalsContact C-N 3.35Å; E196-L198 PolarHBondContact O-N 3.15Å; E196-A199 PolarHBondContact O-N 3.15Å; E196-V200 WeakPolarHBondContact O-CG2 3.36Å; E196-V200 PolarHBondContact O-N 3.22Å |
| 197 | A | 70.2 | Confident | 62 | Low | 61 Ų | 61 | 116.5 Ų | 116.5 | 50% | 0.504 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -60.7 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D193 V200 E201 | D193-A197 WeakPolarHBondContact O-CB 3.43Å; D193-A197 PolarHBondContact O-N 2.99Å; A197-V200 PolarHBondContact O-N 3.33Å; A197-E201 PolarHBondContact O-N 3.41Å |
| 198 | L | 66.7 | Low | 61.7 | Low | 104 Ų | 104 | 114.7 Ų | 114.7 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.9 | -33.6 | 175.6 | -72 | 173.5 | 0 | 0 | 0 | 112.8 | K194 R195 E196 E201 L202 | K194-L198 WeakPolarHBondContact O-CG 3.46Å; K194-L198 PolarHBondContact O-N 3.5Å; R195-L198 PolarHBondContact O-N 2.81Å; E196-L198 VanDerWaalsContact C-N 3.35Å; E196-L198 PolarHBondContact O-N 3.15Å; L198-E201 PolarHBondContact O-N 3.02Å; L198-L202 WeakPolarHBondContact O-CB 3.37Å; L198-L202 WeakPolarHBondContact O-CG 3.38Å; L198-L202 PolarHBondContact O-N 2.97Å |
| 199 | A | 67.8 | Low | 61.8 | Low | 59 Ų | 59 | 112.5 Ų | 112.5 | 49% | 0.488 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.4 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R195 E196 A203 | R195-A199 PolarHBondContact O-N 3.02Å; E196-A199 PolarHBondContact O-N 3.15Å; A199-A203 WeakPolarHBondContact O-CB 3.21Å; A199-A203 PolarHBondContact O-N 3.02Å |
| 200 | V | 68.2 | Low | 61.3 | Low | 74 Ų | 74 | 113.2 Ų | 113.2 | 45% | 0.448 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.6 | -36.5 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | E196 A197 A203 K204 | E196-V200 WeakPolarHBondContact O-CG2 3.36Å; E196-V200 PolarHBondContact O-N 3.22Å; A197-V200 PolarHBondContact O-N 3.33Å; V200-A203 PolarHBondContact O-N 3.1Å; V200-K204 HydrophobicContact CG1-CD 4.46Å; V200-K204 WeakPolarHBondContact O-CG 3.42Å; V200-K204 PolarHBondContact O-N 2.84Å |
| 201 | E | 65.7 | Low | 60.5 | Low | 133 Ų | 133 | 115.4 Ų | 115.4 | 62% | 0.621 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.3 | -40.3 | 176.7 | -164.5 | 174.9 | 170.3 | 0 | 0 | 112.1 | A197 L198 K204 A205 | A197-E201 PolarHBondContact O-N 3.41Å; L198-E201 PolarHBondContact O-N 3.02Å; E201-K204 PolarHBondContact O-N 3.41Å; E201-A205 WeakPolarHBondContact O-CB 3.36Å; E201-A205 PolarHBondContact O-N 3.46Å |
| 202 | L | 67.1 | Low | 59.6 | Low | 127 Ų | 127 | 117.1 Ų | 117.1 | 67% | 0.665 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67 | -35 | 174 | -76.1 | 167.9 | 0 | 0 | 0 | 112.7 | L198 K204 A205 S206 | L198-L202 WeakPolarHBondContact O-CB 3.37Å; L198-L202 WeakPolarHBondContact O-CG 3.38Å; L198-L202 PolarHBondContact O-N 2.97Å; L202-K204 VanDerWaalsContact C-N 3.28Å; L202-K204 PolarHBondContact O-N 2.8Å; L202-A205 PolarHBondContact O-N 3.42Å; L202-S206 PolarHBondContact O-N 3.25Å; L202-S206 VanDerWaalsContact O-N 3.17Å |
| 203 | A | 67.2 | Low | 58.6 | Low | 75 Ų | 75 | 116.6 Ų | 116.6 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.6 | -30.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A199 V200 | A199-A203 WeakPolarHBondContact O-CB 3.21Å; A199-A203 PolarHBondContact O-N 3.02Å; V200-A203 PolarHBondContact O-N 3.1Å |
| 204 | K | 66.8 | Low | 57.4 | Low | 178 Ų | 178 | 118.5 Ų | 118.5 | 77% | 0.774 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -82.9 | -25.1 | 175.3 | -68.9 | 177.3 | -177.6 | -175.1 | 0 | 113.3 | V200 E201 L202 | V200-K204 HydrophobicContact CG1-CD 4.46Å; V200-K204 WeakPolarHBondContact O-CG 3.42Å; V200-K204 PolarHBondContact O-N 2.84Å; E201-K204 PolarHBondContact O-N 3.41Å; L202-K204 VanDerWaalsContact C-N 3.28Å; L202-K204 PolarHBondContact O-N 2.8Å |
| 205 | A | 56.1 | Low | 56.7 | Low | 67 Ų | 67 | 116.7 Ų | 116.7 | 55% | 0.554 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -88.8 | -1.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E201 L202 V207 | E201-A205 WeakPolarHBondContact O-CB 3.36Å; E201-A205 PolarHBondContact O-N 3.46Å; L202-A205 PolarHBondContact O-N 3.42Å; A205-V207 PolarHBondContact O-N 3.3Å |
| 206 | S | 48.7 | Very low | 55.4 | Low | 97 Ų | 97 | 114.5 Ų | 114.5 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | trans | -70.8 | 78.1 | 171.3 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | L202 S208 | L202-S206 PolarHBondContact O-N 3.25Å; L202-S206 VanDerWaalsContact O-N 3.17Å; S206-S208 PolarHBondContact O-N 3.18Å | ||
| 207 | V | 49.1 | Very low | 54.3 | Low | 126 Ų | 126 | 116 Ų | 116 | 76% | 0.764 | 66% | 0.657 | S | S | * | * | trans | -56.8 | 124 | 174.5 | 168.5 | 0 | 0 | 0 | 0 | 109.9 | A205 | A205-V207 PolarHBondContact O-N 3.3Š| ||
| 208 | S | 42.6 | Very low | 53.2 | Low | 90 Ų | 90 | 120.6 Ų | 120.6 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | trans | -43.1 | 140.2 | 168.9 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | S206 Q210 | S206-S208 PolarHBondContact O-N 3.18Å; S208-Q210 PolarHBondContact O-N 3.27Å | ||
| 209 | P | 53.2 | Low | 52.4 | Low | 115 Ų | 115 | 120.7 Ų | 120.7 | 75% | 0.747 | 68% | 0.679 | S | S | * | * | trans | -61.8 | 106.9 | 170.5 | -0.6 | 12.4 | 0 | 0 | 0 | 107.6 | V211 | P209-V211 PolarHBondContact O-N 3.29Š| ||
| 210 | Q | 41.7 | Very low | 51.5 | Low | 149 Ų | 149 | 123.6 Ų | 123.6 | 70% | 0.696 | 70% | 0.695 | S | S | * | * | trans | -63 | 105.8 | 164.6 | -81.9 | -156 | -13.5 | 0 | 0 | 107.5 | S208 Y212 | S208-Q210 PolarHBondContact O-N 3.27Å; Q210-Y212 HydrophobicContact CB-CD2 4.33Å; Q210-Y212 PolarHBondContact O-N 3.5Å; Q210-Y212 VanDerWaalsContact OE1-CE2 3.22Å | ||
| 211 | V | 46.4 | Very low | 50.5 | Low | 114 Ų | 114 | 126.9 Ų | 126.9 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | trans | -65.9 | 91.8 | 159.3 | -179.9 | 0 | 0 | 0 | 0 | 105.9 | P209 N213 | P209-V211 PolarHBondContact O-N 3.29Å; V211-N213 VanDerWaalsContact C-N 3.29Å; V211-N213 PolarHBondContact O-N 2.99Å | ||
| 212 | Y | 37.8 | Very low | 49.5 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 71% | 0.71 | 72% | 0.724 | S | S | * | * | trans | -72.7 | 89.7 | 169.2 | -117.7 | -89.6 | 0 | 0 | 0 | 107.7 | Q210 H214 | Q210-Y212 HydrophobicContact CB-CD2 4.33Å; Q210-Y212 PolarHBondContact O-N 3.5Å; Q210-Y212 VanDerWaalsContact OE1-CE2 3.22Å; Y212-H214 VanDerWaalsContact C-N 3.33Å; Y212-H214 PolarHBondContact O-N 3.21Å; Y212-H214 VanDerWaalsContact O-N 3.16Å | ||
| 213 | N | 44.8 | Very low | 48.6 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | -74.1 | 93 | 158.9 | -74.4 | -38.4 | 0 | 0 | 0 | 106.9 | V211 | V211-N213 VanDerWaalsContact C-N 3.29Å; V211-N213 PolarHBondContact O-N 2.99Å | ||
| 214 | H | 40.4 | Very low | 48.1 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | trans | -85.5 | 118.3 | 167.4 | -151.6 | -45.9 | 0 | 0 | 0 | 107.8 | Y212 | Y212-H214 VanDerWaalsContact C-N 3.33Å; Y212-H214 PolarHBondContact O-N 3.21Å; Y212-H214 VanDerWaalsContact O-N 3.16Å | ||
| 215 | P | 50.1 | Low | 47 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 60% | 0.597 | 74% | 0.738 | S | S | * | * | trans | -77 | 146.7 | 171.8 | 32.3 | -30.6 | 0 | 0 | 0 | 109.3 | ||||
| 216 | D | 44 | Very low | 46.3 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 49.9 | 97.7 | 147.7 | -52.6 | -32.1 | 0 | 0 | 0 | 118.4 | ||||
| 217 | N | 45.3 | Very low | 46.1 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -159.9 | 69.9 | 142.9 | -92.5 | -43.1 | 0 | 0 | 0 | 108.9 | ||||
| 218 | I | 47.2 | Very low | 45.7 | Very low | 157 Ų | 157 | 137 Ų | 137 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | trans | -84.4 | 126.5 | 165.9 | -58 | 174.9 | 0 | 0 | 0 | 107.1 | S220 | I218-S220 PolarHBondContact O-N 2.73Š| ||
| 219 | P | 50 | Low | 45.4 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | trans | -61 | 128.5 | 170 | -16.5 | 29.5 | 0 | 0 | 0 | 109.8 | D221 | P219-D221 PolarHBondContact O-N 3.16Š| ||
| 220 | S | 49.8 | Very low | 44.7 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -68.5 | 36.9 | -172.2 | -175.2 | 0 | 0 | 0 | 0 | 116 | I218 | I218-S220 PolarHBondContact O-N 2.73Š|
| 221 | D | 45.8 | Very low | 44.4 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -130.6 | 22.6 | -170 | -81.3 | -25.5 | 0 | 0 | 0 | 116.3 | P219 | P219-D221 PolarHBondContact O-N 3.16Š| ||
| 222 | F | 45.3 | Very low | 43.9 | Very low | 205 Ų | 205 | 147.3 Ų | 147.3 | 90% | 0.899 | 78% | 0.777 | S | S | * | * | trans | -123.3 | 94.2 | 169.9 | -87.4 | -87.6 | 0 | 0 | 0 | 112 | P224 | F222-P224 WeakPolarHBondContact O-CD 3.45Š| ||
| 223 | T | 49 | Very low | 43.9 | Very low | 122 Ų | 122 | 144 Ų | 144 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -75.5 | 121.9 | 163.4 | 49.8 | 0 | 0 | 0 | 0 | 109.6 | H225 | T223-H225 PolarHBondContact O-N 3.34Š| ||
| 224 | P | 55.4 | Low | 43.5 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -71.9 | 118.9 | 164 | -5.7 | 22.9 | 0 | 0 | 0 | 107.7 | F222 D226 | F222-P224 WeakPolarHBondContact O-CD 3.45Å; P224-D226 PolarHBondContact O-N 2.89Å | ||
| 225 | H | 43.9 | Very low | 43.4 | Very low | 175 Ų | 175 | 140 Ų | 140 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -64.8 | 115.7 | 169.1 | -104.6 | -73.1 | 0 | 0 | 0 | 109.2 | T223 N227 | T223-H225 PolarHBondContact O-N 3.34Å; H225-N227 PolarHBondContact O-N 3.47Å | ||
| 226 | D | 42.9 | Very low | 42.8 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -64.5 | 108.7 | 168.7 | -159.4 | 3.6 | 0 | 0 | 0 | 109.1 | P224 | P224-D226 PolarHBondContact O-N 2.89Š| ||
| 227 | N | 42.8 | Very low | 42.5 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -108.6 | 85.9 | 170.1 | 44.8 | -8.9 | 0 | 0 | 0 | 109.5 | H225 | H225-N227 PolarHBondContact O-N 3.47Š| ||
| 228 | S | 41.5 | Very low | 42.1 | Very low | 82 Ų | 82 | 142.3 Ų | 142.3 | 57% | 0.573 | 78% | 0.782 | S | S | * | * | trans | -28.8 | 151.5 | 158.9 | 61.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 229 | N | 36.6 | Very low | 41.5 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 101 | 76.7 | 151.1 | -53.1 | -36.5 | 0 | 0 | 0 | 117.2 | ||||
| 230 | V | 38 | Very low | 40.9 | Very low | 137 Ų | 137 | 140 Ų | 140 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -118.8 | 104.5 | 142.9 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | I232 | V230-I232 PolarHBondContact O-N 2.87Š| ||
| 231 | R | 34.6 | Very low | 40.5 | Very low | 232 Ų | 232 | 139.9 Ų | 139.9 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | -63 | 118.7 | 166.8 | -91.3 | 178.7 | 174.3 | 174.4 | -2.3 | 108.5 | ||||
| 232 | I | 35.9 | Very low | 40 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -95.9 | 118.1 | 158.8 | -57.3 | 176.5 | 0 | 0 | 0 | 106.4 | V230 | V230-I232 PolarHBondContact O-N 2.87Š| ||
| 233 | T | 38.6 | Very low | 39.6 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -130.3 | 125.1 | 170.4 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 234 | S | 37.4 | Very low | 38.9 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 70.2 | 134.5 | 154.3 | -121.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 235 | S | 37.2 | Very low | 38.1 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | cis | -162.3 | 160.7 | 14.7 | -44.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 236 | D | 37.7 | Very low | 37.7 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | 55.5 | 107 | 143.7 | -86.7 | -13.5 | 0 | 0 | 0 | 119.9 | ||||
| 237 | Q | 37.9 | Very low | 37.6 | Very low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | 159.5 | 118.9 | 104.2 | -75.2 | -144.8 | 9.2 | 0 | 0 | 112.5 | |||||
| 238 | V | 37.1 | Very low | 37.6 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | trans | 71.4 | 100.3 | 140.7 | -168.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 239 | S | 34.4 | Very low | 37.6 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | 43.5 | 110.9 | 131.3 | -64.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 240 | A | 37.2 | Very low | 37.9 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | -161.9 | 146.2 | 122 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 241 | P | 41.6 | Very low | 38.1 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -81.7 | 141.1 | -165.7 | 32.8 | -33.1 | 0 | 0 | 0 | 112.9 | V243 | P241-V243 PolarHBondContact O-N 3.32Š| ||
| 242 | V | 34.5 | Very low | 38.7 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -56.6 | 121.5 | 162.1 | 174 | 0 | 0 | 0 | 0 | 109.4 | N244 | V242-N244 HydrophobicContact CG1-CB 4.25Š| ||
| 243 | V | 37 | Very low | 38.8 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | trans | -111.1 | 101.6 | 156.1 | 177.8 | 0 | 0 | 0 | 0 | 106.6 | P241 I245 | P241-V243 PolarHBondContact O-N 3.32Å; V243-I245 HydrophobicContact CG1-CD1 3.76Å; V243-I245 HydrophobicContact CG1-CG1 3.77Å | ||
| 244 | N | 34.4 | Very low | 39 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | trans | -88.6 | 112.6 | 165.3 | -178.4 | 18.7 | 0 | 0 | 0 | 106.9 | V242 | V242-N244 HydrophobicContact CG1-CB 4.25Š| ||
| 245 | I | 38.4 | Very low | 39.2 | Very low | 140 Ų | 140 | 141 Ų | 141 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | -135 | 101 | 162.9 | -54.6 | 172.8 | 0 | 0 | 0 | 106.4 | V243 | V243-I245 HydrophobicContact CG1-CD1 3.76Å; V243-I245 HydrophobicContact CG1-CG1 3.77Å | ||
| 246 | C | 36.8 | Very low | 39.6 | Very low | 103 Ų | 103 | 144 Ų | 144 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | trans | -63.7 | 132.4 | 158.3 | -53.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 247 | D | 39.9 | Very low | 40 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | trans | -147.1 | 95.7 | 153.2 | -145.9 | 24.8 | 0 | 0 | 0 | 108.1 | R249 | D247-R249 PolarHBondContact O-N 3.35Å; D247-R249 IonicContact OD2-CZ 3.8Å; D247-R249 IonicContact OD2-NE 3.58Å; D247-R249 IonicContact OD2-NH2 3.21Å; D247-R249 PolarHBondContact OD2-NH2 3.34Å | ||
| 248 | E | 42.4 | Very low | 39.9 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -63.7 | 110.4 | 164.8 | -76.8 | 179.9 | 137.9 | 0 | 0 | 108.5 | ||||
| 249 | R | 41.7 | Very low | 40.2 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -132.1 | 101.8 | 157.1 | -82.7 | -169.1 | -84.6 | -175.3 | -6 | 111 | D247 M251 | D247-R249 PolarHBondContact O-N 3.35Å; D247-R249 IonicContact OD2-CZ 3.8Å; D247-R249 IonicContact OD2-NE 3.58Å; D247-R249 IonicContact OD2-NH2 3.21Å; D247-R249 PolarHBondContact OD2-NH2 3.34Å; R249-M251 PolarHBondContact O-N 2.99Å | ||
| 250 | I | 44.2 | Very low | 40.2 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -38.7 | 120.2 | 159.1 | -59.8 | 162.1 | 0 | 0 | 0 | 109 | ||||
| 251 | M | 40.4 | Very low | 40.5 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -109.6 | 115.4 | 160.4 | -76.4 | -140.2 | -64 | 0 | 0 | 109.4 | R249 | R249-M251 PolarHBondContact O-N 2.99Š| ||
| 252 | E | 47.5 | Very low | 40.1 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | -63.2 | 132.4 | -179.3 | -172.2 | 172.7 | -173.7 | 0 | 0 | 111.8 | H254 | E252-H254 PolarHBondContact O-N 3.29Š| ||
| 253 | C | 38.8 | Very low | 40.3 | Very low | 128 Ų | 128 | 150 Ų | 150 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 103.2 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | K255 | C253-K255 PolarHBondContact O-N 3.05Š| ||
| 254 | H | 43.3 | Very low | 40.3 | Very low | 149 Ų | 149 | 151.7 Ų | 151.7 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | trans | -82.1 | 103.8 | 163.5 | -83.9 | -81.6 | 0 | 0 | 0 | 110.5 | E252 L256 | E252-H254 PolarHBondContact O-N 3.29Å; H254-L256 PolarHBondContact O-N 3.11Å | ||
| 255 | K | 40.4 | Very low | 40.3 | Very low | 185 Ų | 185 | 153 Ų | 153 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -72.2 | 104.6 | 159.8 | -168.4 | -173.4 | -176.7 | -152.7 | 0 | 107.2 | C253 | C253-K255 PolarHBondContact O-N 3.05Š| ||
| 256 | L | 46.2 | Very low | 40.5 | Very low | 156 Ų | 156 | 151 Ų | 151 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -102.8 | 110 | 172.4 | -106.8 | 152 | 0 | 0 | 0 | 109.3 | H254 | H254-L256 PolarHBondContact O-N 3.11Š| ||
| 257 | E | 45.4 | Very low | 40.5 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -62.7 | 146.8 | 170.7 | -131.3 | 137.1 | 154.3 | 0 | 0 | 110.6 | ||||
| 258 | G | 36 | Very low | 40.5 | Very low | 76 Ų | 76 | 153.3 Ų | 153.3 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -66 | 145.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 259 | T | 43.5 | Very low | 40.5 | Very low | 134 Ų | 134 | 148.9 Ų | 148.9 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -145 | 115.5 | 160.1 | 23.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 260 | D | 33.9 | Very low | 40.6 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -62.9 | 124.2 | 167.7 | -68.1 | -45.1 | 0 | 0 | 0 | 110 | ||||
| 261 | L | 44 | Very low | 40.3 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -140.1 | 121.9 | 157.9 | -78 | 178.8 | 0 | 0 | 0 | 111.2 | ||||
| 262 | Y | 32.9 | Very low | 40.7 | Very low | 222 Ų | 222 | 146.8 Ų | 146.8 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -56.1 | 164 | 170.6 | -110.1 | -109 | 0 | 0 | 0 | 113.7 | ||||
| 263 | V | 39.2 | Very low | 40.4 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 67% | 0.673 | 81% | 0.81 | S | S | * | * | trans | 115.6 | 111.2 | 143.2 | -169.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 264 | N | 38.1 | Very low | 40.7 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 63.3 | 119.9 | 140.5 | -59 | -12.3 | 0 | 0 | 0 | 123.2 | ||||
| 265 | N | 32.7 | Very low | 40.6 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -72.6 | 126.7 | 163 | -152.7 | 9.7 | 0 | 0 | 0 | 110.6 | ||||
| 266 | A | 43 | Very low | 40.7 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -139.6 | 117.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 267 | N | 37.4 | Very low | 40.9 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -64.4 | 129.6 | 178.6 | -59.8 | -38.3 | 0 | 0 | 0 | 110.9 | ||||
| 268 | S | 40.5 | Very low | 40.9 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -144.6 | 115.3 | 153.6 | -170.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 269 | S | 41.1 | Very low | 41.1 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | -62.5 | 139.2 | 167.3 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 270 | D | 44.6 | Very low | 41.2 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -168.3 | 125.9 | 130.2 | -90.6 | -23.3 | 0 | 0 | 0 | 109.7 | S272 | D270-S272 PolarHBondContact O-N 2.86Š| ||
| 271 | Y | 38.2 | Very low | 41.6 | Very low | 245 Ų | 245 | 136.3 Ų | 136.3 | 96% | 0.961 | 78% | 0.775 | S | S | * | * | trans | -68.2 | 123.1 | 179.3 | -94.6 | -104.9 | 0 | 0 | 0 | 110.5 | ||||
| 272 | S | 47.5 | Very low | 41.6 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -141.3 | 137.7 | 149.6 | 70 | 0 | 0 | 0 | 0 | 108.8 | D270 I274 | D270-S272 PolarHBondContact O-N 2.86Å; S272-I274 PolarHBondContact O-N 2.83Å | ||
| 273 | A | 42.8 | Very low | 42.1 | Very low | 110 Ų | 110 | 129 Ų | 129 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -60.1 | 115.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 274 | I | 44.4 | Very low | 42.3 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | -94.8 | 123.6 | 175.4 | -63.1 | 161.4 | 0 | 0 | 0 | 108.1 | S272 V276 | S272-I274 PolarHBondContact O-N 2.83Å; I274-V276 PolarHBondContact O-N 3.4Å | ||
| 275 | N | 40.4 | Very low | 42.5 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | trans | -57.7 | 120.7 | 169 | -172 | 7.4 | 0 | 0 | 0 | 109.6 | S277 | N275-S277 PolarHBondContact O-N 3.11Š| ||
| 276 | V | 42.7 | Very low | 43 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 22 | -165.9 | -161.5 | 0 | 0 | 0 | 0 | 112.5 | I274 I279 | I274-V276 PolarHBondContact O-N 3.4Å; V276-I279 HydrophobicContact CB-CD1 4.33Å; V276-I279 HydrophobicContact CG1-CD1 3.45Å; V276-I279 VanDerWaalsContact CG1-CD1 3.45Å; V276-I279 HydrophobicContact CG1-CG1 4.26Å |
| 277 | S | 49.9 | Very low | 43.2 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -8.5 | -176.7 | -54.5 | 0 | 0 | 0 | 0 | 115 | N275 | N275-S277 PolarHBondContact O-N 3.11Š|
| 278 | D | 47.1 | Very low | 43.5 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -127 | 20.9 | -174.6 | -76.1 | -39.4 | 0 | 0 | 0 | 114.3 | S280 | D278-S280 PolarHBondContact O-N 3.03Š| ||
| 279 | I | 39.9 | Very low | 43.8 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 59% | 0.585 | 76% | 0.761 | S | S | * | * | trans | -78.5 | 96.6 | -179.9 | -38.1 | -179.8 | 0 | 0 | 0 | 109.4 | V276 V281 | V276-I279 HydrophobicContact CB-CD1 4.33Å; V276-I279 HydrophobicContact CG1-CD1 3.45Å; V276-I279 VanDerWaalsContact CG1-CD1 3.45Å; V276-I279 HydrophobicContact CG1-CG1 4.26Å; I279-V281 PolarHBondContact O-N 3.49Å; I279-V281 VanDerWaalsContact O-N 3.16Å | ||
| 280 | S | 44.8 | Very low | 44.2 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -56.5 | 116.5 | 163.1 | -62 | 0 | 0 | 0 | 0 | 108.4 | D278 T282 | D278-S280 PolarHBondContact O-N 3.03Å; S280-T282 PolarHBondContact O-N 2.85Å | ||
| 281 | V | 43 | Very low | 44.4 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -62.9 | 98.3 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | I279 S283 | I279-V281 PolarHBondContact O-N 3.49Å; I279-V281 VanDerWaalsContact O-N 3.16Å; V281-S283 PolarHBondContact O-N 3.14Å | ||
| 282 | T | 43.5 | Very low | 45.3 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | trans | -74.4 | 115 | 162.4 | 40.5 | 0 | 0 | 0 | 0 | 108.4 | S280 V284 | S280-T282 PolarHBondContact O-N 2.85Å; T282-V284 PolarHBondContact O-N 3.28Å | ||
| 283 | S | 43.9 | Very low | 45.3 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -50.2 | 119.8 | 175.8 | -36.7 | 0 | 0 | 0 | 0 | 111.2 | V281 S285 | V281-S283 PolarHBondContact O-N 3.14Å; S283-S285 PolarHBondContact O-N 3.24Å | ||
| 284 | V | 41.8 | Very low | 45.9 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -69.8 | 115.7 | 168.8 | 174.6 | 0 | 0 | 0 | 0 | 108.2 | T282 V286 | T282-V284 PolarHBondContact O-N 3.28Å; V284-V286 PolarHBondContact O-N 3.03Å | ||
| 285 | S | 43.4 | Very low | 46.3 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -69.2 | 121.8 | 166.7 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | S283 | S283-S285 PolarHBondContact O-N 3.24Š| ||
| 286 | V | 44 | Very low | 47 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -89.8 | 110.4 | 173.8 | -141.3 | 0 | 0 | 0 | 0 | 107.5 | V284 N288 | V284-V286 PolarHBondContact O-N 3.03Å; V286-N288 PolarHBondContact O-N 3.13Å | ||
| 287 | N | 47.2 | Very low | 47.6 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -62.4 | 118.7 | 171.4 | -87.5 | -25.7 | 0 | 0 | 0 | 109.9 | M289 | N287-M289 PolarHBondContact O-N 3.09Å; N287-M289 VanDerWaalsContact O-N 3.13Å | ||
| 288 | N | 43.2 | Very low | 47.8 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -66.2 | 104.9 | 163.5 | -84.8 | -6.5 | 0 | 0 | 0 | 108.9 | V286 F290 | V286-N288 PolarHBondContact O-N 3.13Å; N288-F290 PolarHBondContact O-N 3.33Å | ||
| 289 | M | 46.1 | Very low | 47.9 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 77% | 0.768 | 81% | 0.805 | S | S | * | * | trans | -83 | 101.6 | 171 | -155.5 | 170.1 | 73.7 | 0 | 0 | 108.5 | N287 Q291 | N287-M289 PolarHBondContact O-N 3.09Å; N287-M289 VanDerWaalsContact O-N 3.13Å; M289-Q291 PolarHBondContact O-N 3.36Å | ||
| 290 | F | 48.9 | Very low | 48.3 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -57.7 | 121.4 | 163.4 | -90.9 | -96.1 | 0 | 0 | 0 | 109.1 | N288 | N288-F290 PolarHBondContact O-N 3.33Š| ||
| 291 | Q | 50.2 | Low | 48.5 | Very low | 169 Ų | 169 | 150 Ų | 150 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -96.5 | 113.7 | 159.1 | -74.8 | -170.1 | 9.5 | 0 | 0 | 107.9 | M289 | M289-Q291 PolarHBondContact O-N 3.36Š| ||
| 292 | S | 56.5 | Low | 48.8 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -65.9 | 140.9 | 173.4 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 293 | E | 47.5 | Very low | 49.2 | Very low | 180 Ų | 180 | 152.5 Ų | 152.5 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | trans | -50.6 | 143.9 | 167.4 | -59.3 | 167.5 | 154.9 | 0 | 0 | 112.2 | ||||
| 294 | N | 54.9 | Low | 49.5 | Very low | 169 Ų | 169 | 155.1 Ų | 155.1 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -146.3 | 110.5 | 146 | -100.9 | -16.8 | 0 | 0 | 0 | 108.4 | ||||
| 295 | E | 53.4 | Low | 50 | Low | 174 Ų | 174 | 156.8 Ų | 156.8 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | -50.6 | 149.3 | 162.3 | -69.7 | 176.4 | 107.2 | 0 | 0 | 111.5 | ||||
| 296 | T | 55.8 | Low | 50.6 | Low | 136 Ų | 136 | 160.8 Ų | 160.8 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | -161.5 | 133.5 | 110.1 | -32.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 297 | P | 55.2 | Low | 51.1 | Low | 104 Ų | 104 | 163.5 Ų | 163.5 | 68% | 0.675 | 84% | 0.842 | S | S | * | * | trans | -92.7 | 139.3 | 169.7 | 34.3 | -27.6 | 0 | 0 | 0 | 110.9 | ||||
| 298 | H | 54.4 | Low | 51.5 | Low | 262 Ų | 262 | 164.8 Ų | 164.8 | 100% | 1.213 | 85% | 0.846 | S | S | * | * | trans | -155.9 | 0 | 151.3 | -124.5 | -50.8 | 0 | 0 | 0 | 111.9 |
Retrieved 298 of 298 residues in 60 ms
(Link to these results)