| 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 | 49.9 | Very low | 50.5 | Low | 242 Ų | 242 | 153.5 Ų | 153.5 | 100% | 1.192 | 85% | 0.848 | S | S | * | * | 0 | 130.8 | 0 | -74.1 | 171.5 | 153.7 | 0 | 0 | 107.9 | |||||
| 2 | S | 45.5 | Very low | 50.3 | Low | 121 Ų | 121 | 146.5 Ų | 146.5 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | trans | 70.6 | 94.9 | 167.8 | -61.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 3 | S | 45.3 | Very low | 50.6 | Low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 84% | 0.838 | S | S | * | * | trans | -51.1 | 157.5 | 141.3 | -38.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 4 | P | 56.7 | Low | 50.7 | Low | 127 Ų | 127 | 143.5 Ų | 143.5 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -115.1 | 132.7 | 133.3 | 32 | -27.5 | 0 | 0 | 0 | 111.3 | F6 | P4-F6 PolarHBondContact O-N 3.38Š| ||
| 5 | L | 51.7 | Low | 50.7 | Low | 157 Ų | 157 | 144.7 Ų | 144.7 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -56.3 | 118.5 | 172 | -68.4 | 164.1 | 0 | 0 | 0 | 110.5 | ||||
| 6 | F | 47.6 | Very low | 50.7 | Low | 213 Ų | 213 | 145.4 Ų | 145.4 | 93% | 0.934 | 82% | 0.824 | S | S | * | * | trans | -98.4 | 78 | 155.6 | -136.8 | -93.2 | 0 | 0 | 0 | 107.5 | P4 G8 | P4-F6 PolarHBondContact O-N 3.38Å; F6-G8 PolarHBondContact O-N 3.5Å | ||
| 7 | L | 53.8 | Low | 51.1 | Low | 155 Ų | 155 | 145.4 Ų | 145.4 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | -82.6 | 110.4 | 175 | -175.5 | 67.4 | 0 | 0 | 0 | 108.4 | ||||
| 8 | G | 50.8 | Low | 51.5 | Low | 55 Ų | 55 | 145.3 Ų | 145.3 | 57% | 0.567 | 81% | 0.813 | S | S | * | * | trans | 73.9 | 105.6 | 148 | 0 | 0 | 0 | 0 | 0 | 118 | F6 | F6-G8 PolarHBondContact O-N 3.5Š| ||
| 9 | Q | 49.3 | Very low | 51.9 | Low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -150.8 | 68.9 | 139.1 | -157.6 | 88.7 | 0.8 | 0 | 0 | 109.4 | ||||
| 10 | L | 54.8 | Low | 51.7 | Low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -105.8 | 84.6 | 156.7 | 177.2 | 82.2 | 0 | 0 | 0 | 106.4 | ||||
| 11 | L | 50.5 | Low | 51.4 | Low | 163 Ų | 163 | 139.9 Ų | 139.9 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -164 | 130.9 | 159.7 | -78 | -169.8 | 0 | 0 | 0 | 110.3 | ||||
| 12 | G | 47.2 | Very low | 51.5 | Low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 96.3 | 83.7 | 143.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 13 | V | 54.7 | Low | 52.3 | Low | 140 Ų | 140 | 139.6 Ų | 139.6 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -48.3 | 121.4 | 142.6 | -161.2 | 0 | 0 | 0 | 0 | 105.6 | L15 | V13-L15 PolarHBondContact O-N 3.25Å; V13-L15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | P | 51.8 | Low | 53.6 | Low | 111 Ų | 111 | 138.8 Ų | 138.8 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -56.9 | 127.1 | 173.6 | 23.9 | -30.7 | 0 | 0 | 0 | 105.8 | E16 | P14-E16 PolarHBondContact O-N 3.42Š| ||
| 15 | L | 50.7 | Low | 54.8 | Low | 161 Ų | 161 | 139.3 Ų | 139.3 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -52.5 | 94.8 | 167.2 | -167.1 | 81.5 | 0 | 0 | 0 | 105.2 | V13 I17 | V13-L15 PolarHBondContact O-N 3.25Å; V13-L15 VanDerWaalsContact O-N 3.1Å; L15-I17 PolarHBondContact O-N 3.1Å | ||
| 16 | E | 50.8 | Low | 56.5 | Low | 157 Ų | 157 | 133.9 Ų | 133.9 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -56.3 | 106.1 | 167.3 | -174.2 | 179.5 | 109.9 | 0 | 0 | 102.7 | P14 M18 | P14-E16 PolarHBondContact O-N 3.42Å; E16-M18 PolarHBondContact O-N 3.08Å | ||
| 17 | I | 57.9 | Low | 58.6 | Low | 144 Ų | 144 | 126.9 Ų | 126.9 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | trans | -60.1 | 85.9 | 162.7 | -64.3 | 160.8 | 0 | 0 | 0 | 102.2 | L15 | L15-I17 PolarHBondContact O-N 3.1Š| ||
| 18 | M | 58.5 | Low | 60.5 | Low | 144 Ų | 144 | 125.3 Ų | 125.3 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 120.2 | 162.2 | -64.3 | 174.5 | 87.9 | 0 | 0 | 102.1 | E16 | E16-M18 PolarHBondContact O-N 3.08Š|
| 19 | P | 57.8 | Low | 62.6 | Low | 95 Ų | 95 | 123.3 Ų | 123.3 | 62% | 0.617 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 140.8 | 174.2 | 22.3 | -31.8 | 0 | 0 | 0 | 105.7 | T21 | P19-T21 PolarHBondContact O-N 3.44Š|
| 20 | P | 48.3 | Very low | 64.8 | Low | 110 Ų | 110 | 118 Ų | 118 | 71% | 0.714 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 116.1 | 169.6 | 22.8 | -32 | 0 | 0 | 0 | 104.1 | M22 | P20-M22 WeakPolarHBondContact O-CA 3.31Å; P20-M22 PolarHBondContact O-N 3.11Å |
| 21 | T | 46.8 | Very low | 66.8 | Low | 118 Ų | 118 | 110.3 Ų | 110.3 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | trans | -46.6 | 106.6 | 175 | 39.9 | 0 | 0 | 0 | 0 | 102.4 | P19 E23 | P19-T21 PolarHBondContact O-N 3.44Å; T21-E23 PolarHBondContact O-N 3.17Å | ||
| 22 | M | 52.1 | Low | 69 | Low | 176 Ų | 176 | 105.1 Ų | 105.1 | 87% | 0.867 | 57% | 0.571 | S | S | * | * | trans | -57.3 | 103.9 | -172.7 | -83.9 | 177.8 | 77.1 | 0 | 0 | 102.2 | P20 K24 | P20-M22 WeakPolarHBondContact O-CA 3.31Å; P20-M22 PolarHBondContact O-N 3.11Å; M22-K24 PolarHBondContact O-N 2.71Å | ||
| 23 | E | 60.9 | Low | 71.4 | Confident | 180 Ų | 180 | 101.8 Ų | 101.8 | 84% | 0.841 | 54% | 0.537 | S | S | * | . | trans | -68.4 | 80.4 | 170.2 | -82 | -161.1 | 110.6 | 0 | 0 | 101.9 | T21 D25 | T21-E23 PolarHBondContact O-N 3.17Å; E23-D25 PolarHBondContact O-N 2.83Å | ||
| 24 | K | 71.9 | Confident | 73.3 | Confident | 93 Ų | 93 | 95.5 Ų | 95.5 | 40% | 0.404 | 50% | 0.5 | S | S | . | . | trans | -53.5 | 119.4 | 176 | -179.8 | 175.3 | 174.8 | -176.2 | 0 | 103.1 | M22 T26 D56 | M22-K24 PolarHBondContact O-N 2.71Å; K24-T26 HydrophobicContact CB-CG2 4.4Å; K24-T26 HydrophobicContact CG-CG2 4.34Å; K24-T26 WeakPolarHBondContact O-CG2 3.2Å; K24-T26 PolarHBondContact O-N 3.22Å; K24-D56 IonicContact NZ-OD2 2.78Å; K24-D56 PolarHBondContact NZ-OD2 2.88Å | ||
| 25 | D | 82 | Confident | 75.4 | Confident | 139 Ų | 139 | 91.9 Ų | 91.9 | 74% | 0.743 | 48% | 0.483 | S | S | * | . | trans | -60.5 | 87.7 | 177.8 | -74.6 | -79 | 0 | 0 | 0 | 108.6 | E23 T27 | E23-D25 PolarHBondContact O-N 2.83Å; D25-T27 PolarHBondContact O-N 3.29Å | ||
| 26 | T | 89.3 | Confident | 77.6 | Confident | 42 Ų | 42 | 84.2 Ų | 84.2 | 26% | 0.258 | 44% | 0.443 | S | S | . | . | trans | -86.4 | 6.7 | -178 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | K24 Y28 T29 K30 T76 | K24-T26 HydrophobicContact CB-CG2 4.4Å; K24-T26 HydrophobicContact CG-CG2 4.34Å; K24-T26 WeakPolarHBondContact O-CG2 3.2Å; K24-T26 PolarHBondContact O-N 3.22Å; T26-Y28 PolarHBondContact O-N 3.31Å; T26-Y28 VanDerWaalsContact O-N 3.14Å; T26-T29 WeakPolarHBondContact CA-OG1 3.37Å; T26-T29 PolarHBondContact O-N 2.96Å; T26-T29 VanDerWaalsContact O-N 3.07Å; T26-T29 PolarHBondContact O-OG1 3.44Å; T26-K30 WeakPolarHBondContact O-CB 3.34Å; T26-K30 PolarHBondContact O-N 2.8Å; T26-T76 HydrophobicContact CG2-CG2 3.51Å | ||
| 27 | T | 90.7 | Very high | 79.7 | Confident | 67 Ų | 67 | 77.1 Ų | 77.1 | 41% | 0.411 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -45.4 | -178.9 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | D25 Y105 | D25-T27 PolarHBondContact O-N 3.29Å; T27-Y105 HydrophobicContact CG2-CD1 4.34Å; T27-Y105 HydrophobicContact CG2-CG 4.32Å; T27-Y105 WeakPolarHBondContact O-CD1 3.25Å |
| 28 | Y | 93.8 | Very high | 81.5 | Confident | 121 Ų | 121 | 78.2 Ų | 78.2 | 48% | 0.475 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -4.6 | -177.8 | -56.7 | -71.5 | 0 | 0 | 0 | 114.6 | T26 Y105 | T26-Y28 PolarHBondContact O-N 3.31Å; T26-Y28 VanDerWaalsContact O-N 3.14Å; Y28-Y105 HydrophobicContact CD1-CE1 4.08Å; Y28-Y105 HydrophobicContact CE1-CE1 4.4Å |
| 29 | T | 95.6 | Very high | 83.1 | Confident | 13 Ų | 13 | 78 Ų | 78 | 8% | 0.08 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -14.3 | -179.9 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | T26 M77 R80 | T26-T29 WeakPolarHBondContact CA-OG1 3.37Å; T26-T29 PolarHBondContact O-N 2.96Å; T26-T29 VanDerWaalsContact O-N 3.07Å; T26-T29 PolarHBondContact O-OG1 3.44Å; T29-M77 WeakPolarHBondContact CB-O 3.17Å; T29-M77 PolarHBondContact O-N 3.35Å; T29-R80 HydrophobicContact CG2-CB 4.17Å |
| 30 | K | 95.8 | Very high | 84.9 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127 | 178.4 | -166.3 | 174.5 | -173.2 | 170 | 0 | 110.8 | T26 V75 A104 | T26-K30 WeakPolarHBondContact O-CB 3.34Å; T26-K30 PolarHBondContact O-N 2.8Å; K30-V75 CarbonylContact C-O 3.53Å; K30-A104 HydrophobicContact CB-CB 3.98Å; K30-A104 HydrophobicContact CD-CB 4.06Å; K30-A104 HydrophobicContact CG-CB 3.69Å; K30-A104 WeakPolarHBondContact O-CB 3.25Å; K30-A104 PolarHBondContact O-N 3.16Å |
| 31 | I | 96.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132 | -176.4 | -52.3 | 171.3 | 0 | 0 | 0 | 108 | V33 F49 F74 V75 M77 A83 A86 V101 N102 | I31-V33 HydrophobicContact CG2-CG2 4.25Å; I31-F49 HydrophobicContact CD1-CD1 4.26Å; I31-F49 HydrophobicContact CD1-CE1 4.25Å; I31-F49 HydrophobicContact CG2-CE1 4.34Å; I31-F74 CarbonylContact O-C 3.6Å; I31-F74 VanDerWaalsContact O-CA 3.28Å; I31-F74 WeakPolarHBondContact O-CA 3.2Å; I31-V75 HydrophobicContact CB-CB 4.49Å; I31-V75 WeakPolarHBondContact CB-O 3.32Å; I31-V75 PolarHBondContact N-O 3.28Å; I31-V75 PolarHBondContact O-N 2.93Å; I31-M77 HydrophobicContact CD1-CG 3.59Å; I31-M77 HydrophobicContact CD1-SD 4.01Å; I31-M77 HydrophobicContact CG1-CG 4.39Å; I31-A83 HydrophobicContact CD1-CB 4.01Å; I31-A83 HydrophobicContact CG1-CB 4.02Å; I31-A86 HydrophobicContact CD1-CB 3.75Å; I31-V101 HydrophobicContact CG2-CG1 3.39Å; I31-N102 CarbonylContact C-O 3.44Å; I31-N102 WeakPolarHBondContact CA-O 3.28Å |
| 32 | F | 96.6 | Very high | 89.4 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 23% | 0.232 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132.1 | 166.4 | 168.9 | -99.1 | 0 | 0 | 0 | 109.9 | Y72 F74 V101 N102 A104 | F32-Y72 AromaticContact CE2-CD2 3.89Å; F32-Y72 HydrophobicContact CE2-CD2 3.89Å; F32-Y72 HydrophobicContact CE2-CG 4.18Å; F32-F74 HydrophobicContact CB-CD1 4.39Å; F32-F74 HydrophobicContact CB-CE1 4.2Å; F32-F74 HydrophobicContact CD2-CD1 4.45Å; F32-F74 AromaticContact CD2-CE1 3.84Å; F32-F74 HydrophobicContact CD2-CE1 3.84Å; F32-F74 HydrophobicContact CD2-CZ 4.17Å; F32-V101 WeakPolarHBondContact O-CA 3.31Å; F32-N102 PolarHBondContact N-O 3.19Å; F32-N102 PolarHBondContact O-N 2.82Å; F32-A104 HydrophobicContact CB-CB 4.38Å |
| 33 | V | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 111.6 | 175.9 | -168.1 | 0 | 0 | 0 | 0 | 109 | I31 L36 L45 F49 Y72 G73 V75 I94 A99 N100 V101 | I31-V33 HydrophobicContact CG2-CG2 4.25Å; V33-L36 HydrophobicContact CB-CD1 4.49Å; V33-L36 HydrophobicContact CG1-CD1 4.22Å; V33-L36 HydrophobicContact CG1-CD2 3.72Å; V33-L36 HydrophobicContact CG1-CG 4.06Å; V33-L45 HydrophobicContact CB-CD1 4.29Å; V33-L45 HydrophobicContact CG1-CD1 4Å; V33-L45 HydrophobicContact CG2-CD1 4.36Å; V33-F49 HydrophobicContact CB-CZ 4.47Å; V33-F49 HydrophobicContact CG1-CE2 4.23Å; V33-F49 HydrophobicContact CG1-CZ 4.25Å; V33-F49 HydrophobicContact CG2-CE1 4.31Å; V33-F49 HydrophobicContact CG2-CE2 3.6Å; V33-F49 HydrophobicContact CG2-CZ 3.38Å; V33-Y72 CarbonylContact O-C 3.54Å; V33-Y72 WeakPolarHBondContact O-CA 3.42Å; V33-Y72 WeakPolarHBondContact O-CB 3.39Å; V33-G73 PolarHBondContact N-O 3.4Å; V33-G73 PolarHBondContact O-N 3Å; V33-V75 HydrophobicContact CG2-CG2 4.14Å; V33-I94 HydrophobicContact CG1-CD1 4.02Å; V33-A99 HydrophobicContact CG1-CB 4.37Å; V33-N100 CarbonylContact C-O 3.55Å; V33-N100 WeakPolarHBondContact CA-O 3.26Å; V33-V101 HydrophobicContact CG1-CG2 4.21Å |
| 34 | G | 96 | Very high | 93 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 166.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L36 A99 N100 | G34-L36 VanDerWaalsContact C-N 3.3Å; G34-L36 PolarHBondContact O-N 2.68Å; G34-A99 CarbonylContact O-C 3.6Å; G34-A99 WeakPolarHBondContact O-CA 3.31Å; G34-A99 WeakPolarHBondContact O-CB 3.31Å; G34-N100 PolarHBondContact N-O 2.98Å; G34-N100 PolarHBondContact O-N 2.84Å |
| 35 | G | 95.2 | Very high | 94.1 | Very high | 35 Ų | 35 | 52.9 Ų | 52.9 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 76.5 | 16.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G71 R97 | G35-G71 PolarHBondContact N-O 3.47Å; G35-R97 VanDerWaalsContact O-CD 3.32Å; G35-R97 WeakPolarHBondContact O-CD 3.28Å |
| 36 | L | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | trans | -67.4 | 142.8 | 178 | -63 | 175.3 | 0 | 0 | 0 | 110.8 | V33 G34 T40 L45 V60 G71 I94 A99 | V33-L36 HydrophobicContact CB-CD1 4.49Å; V33-L36 HydrophobicContact CG1-CD1 4.22Å; V33-L36 HydrophobicContact CG1-CD2 3.72Å; V33-L36 HydrophobicContact CG1-CG 4.06Å; G34-L36 VanDerWaalsContact C-N 3.3Å; G34-L36 PolarHBondContact O-N 2.68Å; L36-T40 HydrophobicContact CD2-CG2 4.43Å; L36-L45 HydrophobicContact CD1-CD1 3.86Å; L36-L45 HydrophobicContact CD1-CD2 4.37Å; L36-L45 HydrophobicContact CD2-CD1 3.98Å; L36-V60 HydrophobicContact CD1-CG2 4.45Å; L36-G71 PolarHBondContact N-O 2.83Å; L36-G71 WeakPolarHBondContact O-CA 3.22Å; L36-I94 HydrophobicContact CD2-CB 4.2Å; L36-I94 HydrophobicContact CD2-CD1 3.88Å; L36-I94 HydrophobicContact CD2-CG2 4.06Å; L36-A99 HydrophobicContact CD2-CB 4.3Å | ||
| 37 | P | 95.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | trans | -54.9 | 145.7 | 165.6 | -24.7 | 32.9 | 0 | 0 | 0 | 112.1 | H39 T40 D95 R97 | P37-H39 WeakPolarHBondContact CB-CE1 3.44Å; P37-H39 PolarHBondContact O-N 3.43Å; P37-H39 VanDerWaalsContact O-N 3.14Å; P37-T40 WeakPolarHBondContact CB-OG1 3.15Å; P37-T40 WeakPolarHBondContact CD-OG1 3.37Å; P37-T40 VanDerWaalsContact O-CB 3.28Å; P37-T40 WeakPolarHBondContact O-CB 3.32Å; P37-T40 PolarHBondContact O-N 3.35Å; P37-T40 PolarHBondContact O-OG1 2.94Å; P37-D95 HydrophobicContact CG-CB 3.88Å; P37-R97 HydrophobicContact CG-CB 3.62Å | ||
| 38 | Y | 95.1 | Very high | 95.3 | Very high | 166 Ų | 166 | 57.3 Ų | 57.3 | 65% | 0.651 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.1 | -178 | -59.2 | -42.5 | 0 | 0 | 0 | 114.4 | S69 | Y38-S69 WeakPolarHBondContact CD1-O 3.36Å; Y38-S69 VanDerWaalsContact O-CB 3.22Å; Y38-S69 WeakPolarHBondContact O-CB 3.46Å |
| 39 | H | 93.7 | Very high | 95.3 | Very high | 141 Ų | 141 | 51.5 Ų | 51.5 | 65% | 0.653 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -1 | 175.1 | 60.3 | -99.8 | 0 | 0 | 0 | 113.1 | P37 S41 | P37-H39 WeakPolarHBondContact CB-CE1 3.44Å; P37-H39 PolarHBondContact O-N 3.43Å; P37-H39 VanDerWaalsContact O-N 3.14Å; H39-S41 PolarHBondContact O-N 2.8Å |
| 40 | T | 94 | Very high | 95.3 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | trans | -68.5 | 124.7 | 177.9 | -44.8 | 0 | 0 | 0 | 0 | 109.5 | L36 P37 | L36-T40 HydrophobicContact CD2-CG2 4.43Å; P37-T40 WeakPolarHBondContact CB-OG1 3.15Å; P37-T40 WeakPolarHBondContact CD-OG1 3.37Å; P37-T40 VanDerWaalsContact O-CB 3.28Å; P37-T40 WeakPolarHBondContact O-CB 3.32Å; P37-T40 PolarHBondContact O-N 3.35Å; P37-T40 PolarHBondContact O-OG1 2.94Å | ||
| 41 | S | 95.3 | Very high | 95.3 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | trans | -93.4 | 165 | 174 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | H39 A43 S44 L45 | H39-S41 PolarHBondContact O-N 2.8Å; S41-A43 PolarHBondContact O-N 3.31Å; S41-S44 PolarHBondContact O-N 3.37Å; S41-S44 PolarHBondContact OG-N 2.83Å; S41-S44 PolarHBondContact OG-OG 2.94Å; S41-L45 PolarHBondContact O-N 3.36Å; S41-L45 VanDerWaalsContact O-N 3.08Å | ||
| 42 | D | 95.2 | Very high | 95.2 | Very high | 93 Ų | 93 | 58.7 Ų | 58.7 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -53.6 | -39.6 | 168.8 | 53.2 | -82.3 | 0 | 0 | 0 | 111.8 | L45 R46 | D42-L45 PolarHBondContact O-N 3.38Å; D42-R46 VanDerWaalsContact O-CB 3.25Å; D42-R46 WeakPolarHBondContact O-CB 3.39Å; D42-R46 PolarHBondContact O-N 3.45Å |
| 43 | A | 94.8 | Very high | 95.1 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S41 L45 R46 K47 | S41-A43 PolarHBondContact O-N 3.31Å; A43-L45 VanDerWaalsContact C-N 3.34Å; A43-R46 PolarHBondContact O-N 3.31Å; A43-K47 WeakPolarHBondContact O-CB 3.33Å; A43-K47 PolarHBondContact O-N 3.08Å |
| 44 | S | 94.1 | Very high | 95.1 | Very high | 41 Ų | 41 | 63.1 Ų | 63.1 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.1 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | S41 K47 Y48 | S41-S44 PolarHBondContact O-N 3.37Å; S41-S44 PolarHBondContact OG-N 2.83Å; S41-S44 PolarHBondContact OG-OG 2.94Å; S44-K47 PolarHBondContact O-N 2.79Å; S44-Y48 PolarHBondContact O-N 3.14Å; S44-Y48 VanDerWaalsContact O-N 3.13Å |
| 45 | L | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 176.6 | -170.2 | 69.3 | 0 | 0 | 0 | 110.6 | V33 L36 S41 D42 A43 K47 Y48 F49 V60 V75 I94 | V33-L45 HydrophobicContact CB-CD1 4.29Å; V33-L45 HydrophobicContact CG1-CD1 4Å; V33-L45 HydrophobicContact CG2-CD1 4.36Å; L36-L45 HydrophobicContact CD1-CD1 3.86Å; L36-L45 HydrophobicContact CD1-CD2 4.37Å; L36-L45 HydrophobicContact CD2-CD1 3.98Å; S41-L45 PolarHBondContact O-N 3.36Å; S41-L45 VanDerWaalsContact O-N 3.08Å; D42-L45 PolarHBondContact O-N 3.38Å; A43-L45 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 2.99Å; L45-Y48 WeakPolarHBondContact O-CB 3.47Å; L45-Y48 PolarHBondContact O-N 2.72Å; L45-F49 HydrophobicContact CD1-CD2 4.05Å; L45-F49 HydrophobicContact CD1-CE2 3.67Å; L45-F49 HydrophobicContact CG-CD2 4.19Å; L45-F49 HydrophobicContact CG-CE2 4.26Å; L45-F49 WeakPolarHBondContact O-CD2 3.46Å; L45-F49 PolarHBondContact O-N 3.11Å; L45-F49 VanDerWaalsContact O-N 3.12Å; L45-V60 HydrophobicContact CB-CG2 4.39Å; L45-V60 HydrophobicContact CD2-CG2 4Å; L45-V75 HydrophobicContact CD2-CG2 3.67Å; L45-V75 HydrophobicContact CG-CG2 3.86Å; L45-I94 HydrophobicContact CD1-CD1 4.4Å |
| 46 | R | 96.1 | Very high | 95.1 | Very high | 110 Ų | 110 | 65.4 Ų | 65.4 | 42% | 0.415 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.6 | -51 | 177.5 | -172.7 | -172 | 171.2 | 121.9 | 5.9 | 111.2 | D42 A43 Y48 F49 E50 I55 A58 | D42-R46 VanDerWaalsContact O-CB 3.25Å; D42-R46 WeakPolarHBondContact O-CB 3.39Å; D42-R46 PolarHBondContact O-N 3.45Å; A43-R46 PolarHBondContact O-N 3.31Å; R46-Y48 PolarHBondContact O-N 3.49Å; R46-F49 PolarHBondContact O-N 3.42Å; R46-E50 HydrophobicContact CG-CG 4.26Å; R46-E50 IonicContact CZ-OE1 3.68Å; R46-E50 IonicContact NE-OE1 2.83Å; R46-E50 PolarHBondContact NE-OE1 2.78Å; R46-E50 IonicContact NH2-OE1 3.62Å; R46-E50 WeakPolarHBondContact O-CG 3.14Å; R46-E50 PolarHBondContact O-N 2.76Å; R46-I55 HydrophobicContact CB-CD1 4.3Å; R46-I55 HydrophobicContact CG-CD1 3.69Å; R46-I55 WeakPolarHBondContact O-CD1 3.38Å; R46-A58 HydrophobicContact CB-CB 4.01Å; R46-A58 HydrophobicContact CG-CB 4.41Å |
| 47 | K | 95.3 | Very high | 95 | Very high | 161 Ų | 161 | 70.6 Ų | 70.6 | 70% | 0.7 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -56.8 | -37 | 179.5 | -175.4 | 177.2 | -179.2 | 178.2 | 0 | 112.8 | A43 S44 L45 | A43-K47 WeakPolarHBondContact O-CB 3.33Å; A43-K47 PolarHBondContact O-N 3.08Å; S44-K47 PolarHBondContact O-N 2.79Å; L45-K47 PolarHBondContact O-N 2.99Å |
| 48 | Y | 94.6 | Very high | 95.1 | Very high | 69 Ų | 69 | 71 Ų | 71 | 27% | 0.271 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.3 | -46 | 176 | -177.1 | -95.9 | 0 | 0 | 0 | 111.7 | S44 L45 R46 T51 F52 P92 I94 | S44-Y48 PolarHBondContact O-N 3.14Å; S44-Y48 VanDerWaalsContact O-N 3.13Å; L45-Y48 WeakPolarHBondContact O-CB 3.47Å; L45-Y48 PolarHBondContact O-N 2.72Å; R46-Y48 PolarHBondContact O-N 3.49Å; Y48-T51 WeakPolarHBondContact O-CG2 3.19Å; Y48-F52 HydrophobicContact CD1-CE2 4.3Å; Y48-F52 AromaticContact CE1-CE2 3.79Å; Y48-F52 HydrophobicContact CE1-CE2 3.79Å; Y48-F52 HydrophobicContact CE1-CZ 4.31Å; Y48-P92 HydrophobicContact CE1-CB 4.13Å; Y48-P92 HydrophobicContact CE1-CG 4.26Å; Y48-P92 WeakPolarHBondContact OH-CB 3.48Å; Y48-I94 HydrophobicContact CD1-CD1 3.83Å; Y48-I94 HydrophobicContact CD1-CG1 4.05Å; Y48-I94 HydrophobicContact CD2-CG1 4.26Å; Y48-I94 HydrophobicContact CE1-CD1 4.04Å; Y48-I94 HydrophobicContact CE1-CG1 4.1Å; Y48-I94 HydrophobicContact CE2-CG1 4.32Å; Y48-I94 HydrophobicContact CG-CD1 4.29Å; Y48-I94 HydrophobicContact CG-CG1 4.15Å |
| 49 | F | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -78 | -19.7 | -176.5 | -77.7 | -88.3 | 0 | 0 | 0 | 114 | I31 V33 L45 R46 T51 F52 I55 V75 M77 A86 I94 V101 | I31-F49 HydrophobicContact CD1-CD1 4.26Å; I31-F49 HydrophobicContact CD1-CE1 4.25Å; I31-F49 HydrophobicContact CG2-CE1 4.34Å; V33-F49 HydrophobicContact CB-CZ 4.47Å; V33-F49 HydrophobicContact CG1-CE2 4.23Å; V33-F49 HydrophobicContact CG1-CZ 4.25Å; V33-F49 HydrophobicContact CG2-CE1 4.31Å; V33-F49 HydrophobicContact CG2-CE2 3.6Å; V33-F49 HydrophobicContact CG2-CZ 3.38Å; L45-F49 HydrophobicContact CD1-CD2 4.05Å; L45-F49 HydrophobicContact CD1-CE2 3.67Å; L45-F49 HydrophobicContact CG-CD2 4.19Å; L45-F49 HydrophobicContact CG-CE2 4.26Å; L45-F49 WeakPolarHBondContact O-CD2 3.46Å; L45-F49 PolarHBondContact O-N 3.11Å; L45-F49 VanDerWaalsContact O-N 3.12Å; R46-F49 PolarHBondContact O-N 3.42Å; F49-T51 PolarHBondContact O-N 2.66Å; F49-T51 VanDerWaalsContact O-N 3.15Å; F49-F52 HydrophobicContact CD1-CD2 4.1Å; F49-F52 HydrophobicContact CD1-CE2 4.39Å; F49-F52 PolarHBondContact O-N 3.19Å; F49-I55 HydrophobicContact CB-CD1 3.56Å; F49-I55 HydrophobicContact CB-CG1 4.37Å; F49-V75 HydrophobicContact CB-CG1 4.04Å; F49-V75 HydrophobicContact CD2-CG2 3.82Å; F49-V75 HydrophobicContact CE2-CG2 4.12Å; F49-V75 HydrophobicContact CG-CB 4.47Å; F49-V75 HydrophobicContact CG-CG1 4.13Å; F49-V75 HydrophobicContact CG-CG2 4.17Å; F49-M77 HydrophobicContact CB-SD 4.5Å; F49-A86 HydrophobicContact CD1-CB 3.95Å; F49-A86 HydrophobicContact CE1-CB 3.93Å; F49-I94 HydrophobicContact CE2-CD1 4.2Å; F49-V101 HydrophobicContact CE1-CG1 4.11Å; F49-V101 HydrophobicContact CE1-CG2 4.47Å; F49-V101 HydrophobicContact CZ-CG1 4.24Å; F49-V101 HydrophobicContact CZ-CG2 3.9Å |
| 50 | E | 95.6 | Very high | 95.2 | Very high | 90 Ų | 90 | 59.6 Ų | 59.6 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.5 | 174.8 | -83.4 | 173.7 | 166 | 0 | 0 | 112.1 | R46 F52 G53 I55 | R46-E50 HydrophobicContact CG-CG 4.26Å; R46-E50 IonicContact CZ-OE1 3.68Å; R46-E50 IonicContact NE-OE1 2.83Å; R46-E50 PolarHBondContact NE-OE1 2.78Å; R46-E50 IonicContact NH2-OE1 3.62Å; R46-E50 WeakPolarHBondContact O-CG 3.14Å; R46-E50 PolarHBondContact O-N 2.76Å; E50-F52 PolarHBondContact O-N 2.68Å; E50-G53 WeakPolarHBondContact CA-O 3.06Å; E50-G53 PolarHBondContact O-N 2.64Å; E50-I55 HydrophobicContact CG-CD1 3.8Å; E50-I55 HydrophobicContact CG-CG1 4.21Å |
| 51 | T | 94.6 | Very high | 95.3 | Very high | 106 Ų | 106 | 61.5 Ų | 61.5 | 65% | 0.65 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.9 | 174.7 | -162.1 | 0 | 0 | 0 | 0 | 113.5 | Y48 F49 | Y48-T51 WeakPolarHBondContact O-CG2 3.19Å; F49-T51 PolarHBondContact O-N 2.66Å; F49-T51 VanDerWaalsContact O-N 3.15Å |
| 52 | F | 94.1 | Very high | 95.3 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -22.1 | 179.6 | -56.2 | -73.7 | 0 | 0 | 0 | 111.8 | Y48 F49 E50 R85 A86 | Y48-F52 HydrophobicContact CD1-CE2 4.3Å; Y48-F52 AromaticContact CE1-CE2 3.79Å; Y48-F52 HydrophobicContact CE1-CE2 3.79Å; Y48-F52 HydrophobicContact CE1-CZ 4.31Å; F49-F52 HydrophobicContact CD1-CD2 4.1Å; F49-F52 HydrophobicContact CD1-CE2 4.39Å; F49-F52 PolarHBondContact O-N 3.19Å; E50-F52 PolarHBondContact O-N 2.68Å; F52-R85 HydrophobicContact CD1-CB 4.45Å; F52-R85 PolarHBondContact O-NH1 3.34Å; F52-R85 VanDerWaalsContact O-NH1 3.16Å; F52-R85 PolarHBondContact O-NH2 3.45Å; F52-A86 HydrophobicContact CB-CB 4.26Å; F52-A86 HydrophobicContact CD1-CB 4.48Å; F52-A86 HydrophobicContact CD2-CB 3.87Å; F52-A86 HydrophobicContact CE2-CB 4.35Å; F52-A86 HydrophobicContact CG-CB 3.95Å |
| 53 | G | 94.8 | Very high | 95.3 | Very high | 19 Ų | 19 | 61 Ų | 61 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 157.3 | -172.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | E50 | E50-G53 WeakPolarHBondContact CA-O 3.06Å; E50-G53 PolarHBondContact O-N 2.64Å |
| 54 | D | 96.1 | Very high | 95.3 | Very high | 127 Ų | 127 | 68.5 Ų | 68.5 | 68% | 0.679 | 35% | 0.345 | S | S | * | . | trans | -67.7 | 137.2 | 179.3 | -66.6 | -79.1 | 0 | 0 | 0 | 112.7 | V78 | D54-V78 HydrophobicContact CB-CB 4.07Å; D54-V78 HydrophobicContact CB-CG2 3.8Å; D54-V78 PolarHBondContact O-N 2.84Å | ||
| 55 | I | 96.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 75.5 Ų | 75.5 | 7% | 0.072 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.6 | -179.1 | -60.8 | -179.1 | 0 | 0 | 0 | 109.4 | R46 F49 E50 E57 A58 V75 M77 | R46-I55 HydrophobicContact CB-CD1 4.3Å; R46-I55 HydrophobicContact CG-CD1 3.69Å; R46-I55 WeakPolarHBondContact O-CD1 3.38Å; F49-I55 HydrophobicContact CB-CD1 3.56Å; F49-I55 HydrophobicContact CB-CG1 4.37Å; E50-I55 HydrophobicContact CG-CD1 3.8Å; E50-I55 HydrophobicContact CG-CG1 4.21Å; I55-E57 WeakPolarHBondContact CG2-O 3.47Å; I55-A58 HydrophobicContact CG2-CB 4.1Å; I55-V75 HydrophobicContact CD1-CG1 4.19Å; I55-V75 HydrophobicContact CG1-CG1 4.36Å; I55-V75 HydrophobicContact CG2-CG1 4.02Å; I55-M77 HydrophobicContact CG1-CE 4.07Å; I55-M77 HydrophobicContact CG1-SD 4.06Å |
| 56 | D | 95.5 | Very high | 95.3 | Very high | 75 Ų | 75 | 79.7 Ų | 79.7 | 40% | 0.401 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -49.6 | 173.7 | -166.4 | -89.6 | 0 | 0 | 0 | 109.4 | K24 T76 V78 | K24-D56 IonicContact NZ-OD2 2.78Å; K24-D56 PolarHBondContact NZ-OD2 2.88Å; D56-T76 HydrophobicContact CB-CG2 3.99Å; D56-T76 WeakPolarHBondContact CB-O 3.4Å; D56-T76 PolarHBondContact N-O 2.76Å; D56-V78 HydrophobicContact CB-CG2 4.02Å |
| 57 | E | 95.1 | Very high | 95.2 | Very high | 110 Ų | 110 | 77 Ų | 77 | 51% | 0.514 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 141.5 | 179.9 | -159.6 | -175.8 | 125.9 | 0 | 0 | 111.4 | I55 V59 V75 T76 | I55-E57 WeakPolarHBondContact CG2-O 3.47Å; E57-V59 HydrophobicContact CG-CG2 3.99Å; E57-V59 VanDerWaalsContact OE1-CG2 3.25Å; E57-V59 WeakPolarHBondContact OE1-CG2 3.38Å; E57-V75 CarbonylContact O-C 3.49Å; E57-V75 WeakPolarHBondContact O-CA 3.37Å; E57-T76 PolarHBondContact N-O 3.05Å; E57-T76 PolarHBondContact O-N 3.12Å |
| 58 | A | 96.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 76.5 Ų | 76.5 | 14% | 0.14 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 123.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | R46 I55 V75 | R46-A58 HydrophobicContact CB-CB 4.01Å; R46-A58 HydrophobicContact CG-CB 4.41Å; I55-A58 HydrophobicContact CG2-CB 4.1Å; A58-V75 HydrophobicContact CB-CG2 4.31Å |
| 59 | V | 95.8 | Very high | 95.2 | Very high | 53 Ų | 53 | 73.9 Ų | 73.9 | 32% | 0.321 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 125.4 | -174.8 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | E57 I61 G73 F74 | E57-V59 HydrophobicContact CG-CG2 3.99Å; E57-V59 VanDerWaalsContact OE1-CG2 3.25Å; E57-V59 WeakPolarHBondContact OE1-CG2 3.38Å; V59-I61 HydrophobicContact CG1-CD1 4.19Å; V59-G73 CarbonylContact O-C 3.56Å; V59-G73 WeakPolarHBondContact O-CA 3.39Å; V59-F74 PolarHBondContact N-O 3.02Å; V59-F74 PolarHBondContact O-N 2.67Å |
| 60 | V | 96.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 79.2 Ų | 79.2 | 9% | 0.091 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.4 | 167.3 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | L36 L45 T62 S69 | L36-V60 HydrophobicContact CD1-CG2 4.45Å; L45-V60 HydrophobicContact CB-CG2 4.39Å; L45-V60 HydrophobicContact CD2-CG2 4Å; V60-T62 PolarHBondContact O-N 3.21Å; V60-S69 VanDerWaalsContact CG1-OG 3.31Å; V60-S69 WeakPolarHBondContact CG1-OG 3.46Å |
| 61 | I | 95.4 | Very high | 95.1 | Very high | 46 Ų | 46 | 75.3 Ų | 75.3 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 121.2 | 179.6 | -54.8 | -55.9 | 0 | 0 | 0 | 109.3 | V59 R70 Y72 F74 | V59-I61 HydrophobicContact CG1-CD1 4.19Å; I61-R70 HydrophobicContact CG2-CG 4.35Å; I61-R70 WeakPolarHBondContact O-CB 3.16Å; I61-R70 PolarHBondContact O-N 3.18Å; I61-Y72 HydrophobicContact CB-CD2 4.23Å; I61-Y72 HydrophobicContact CB-CE1 4.4Å; I61-Y72 HydrophobicContact CB-CE2 3.74Å; I61-Y72 HydrophobicContact CG1-CD2 3.96Å; I61-Y72 HydrophobicContact CG1-CE2 3.47Å; I61-Y72 VanDerWaalsContact CG1-CE2 3.47Å; I61-Y72 HydrophobicContact CG2-CE2 4.19Å; I61-Y72 PolarHBondContact N-O 3.13Å; I61-F74 HydrophobicContact CD1-CD2 4.14Å; I61-F74 HydrophobicContact CD1-CE2 4.35Å; I61-F74 HydrophobicContact CG1-CD2 4.12Å; I61-F74 HydrophobicContact CG1-CE2 4.08Å |
| 62 | T | 95.4 | Very high | 95.2 | Very high | 71 Ų | 71 | 72.3 Ų | 72.3 | 44% | 0.436 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 156.1 | 173.4 | 56.4 | 0 | 0 | 0 | 0 | 111 | V60 K68 | V60-T62 PolarHBondContact O-N 3.21Å; T62-K68 CarbonylContact C-O 3.45Å; T62-K68 VanDerWaalsContact CA-O 3.26Å; T62-K68 WeakPolarHBondContact CA-O 3.28Å |
| 63 | D | 94.8 | Very high | 95.3 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 32% | 0.316 | 37% | 0.368 | S | S | . | . | trans | -75 | 128.3 | 170.7 | 178.4 | -83.9 | 0 | 0 | 0 | 109.8 | Q65 T66 G67 K68 R70 | D63-Q65 VanDerWaalsContact C-N 3.28Å; D63-Q65 PolarHBondContact O-N 3.44Å; D63-Q65 PolarHBondContact OD1-N 2.88Å; D63-T66 WeakPolarHBondContact CB-OG1 3.01Å; D63-T66 PolarHBondContact OD1-N 2.85Å; D63-T66 PolarHBondContact OD1-OG1 2.87Å; D63-G67 WeakPolarHBondContact O-CA 3.35Å; D63-G67 PolarHBondContact O-N 2.82Å; D63-K68 PolarHBondContact N-O 3.46Å; D63-R70 HydrophobicContact CB-CG 4.42Å | ||
| 64 | K | 94.1 | Very high | 95.4 | Very high | 213 Ų | 213 | 72.2 Ų | 72.2 | 93% | 0.926 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -22.6 | -173.3 | -64.5 | -175.9 | 70.6 | 177.4 | 0 | 113.9 | ||
| 65 | Q | 95.1 | Very high | 95.4 | Very high | 188 Ų | 188 | 66.1 Ų | 66.1 | 88% | 0.879 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -42 | -178.5 | -61.1 | -175.5 | 12.7 | 0 | 0 | 111.2 | D63 | D63-Q65 VanDerWaalsContact C-N 3.28Å; D63-Q65 PolarHBondContact O-N 3.44Å; D63-Q65 PolarHBondContact OD1-N 2.88Å |
| 66 | T | 94.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 66 Ų | 66 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -15.2 | -173.9 | 63.6 | 0 | 0 | 0 | 0 | 113.7 | D63 K68 | D63-T66 WeakPolarHBondContact CB-OG1 3.01Å; D63-T66 PolarHBondContact OD1-N 2.85Å; D63-T66 PolarHBondContact OD1-OG1 2.87Å; T66-K68 PolarHBondContact O-N 3.05Å; T66-K68 VanDerWaalsContact O-N 3.16Å; T66-K68 PolarHBondContact OG1-N 3.43Å |
| 67 | G | 93.4 | Very high | 95.4 | Very high | 54 Ų | 54 | 62.4 Ų | 62.4 | 56% | 0.557 | 32% | 0.319 | S | S | * | . | trans | 68.9 | 1.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D63 | D63-G67 WeakPolarHBondContact O-CA 3.35Å; D63-G67 PolarHBondContact O-N 2.82Å | ||
| 68 | K | 94.2 | Very high | 95.4 | Very high | 150 Ų | 150 | 60.7 Ų | 60.7 | 65% | 0.652 | 32% | 0.316 | S | S | * | . | trans | -80.2 | 144.9 | -175.6 | -63.3 | -171.6 | 176.7 | -164.9 | 0 | 111.2 | T62 D63 T66 R70 | T62-K68 CarbonylContact C-O 3.45Å; T62-K68 VanDerWaalsContact CA-O 3.26Å; T62-K68 WeakPolarHBondContact CA-O 3.28Å; D63-K68 PolarHBondContact N-O 3.46Å; T66-K68 PolarHBondContact O-N 3.05Å; T66-K68 VanDerWaalsContact O-N 3.16Å; T66-K68 PolarHBondContact OG1-N 3.43Å; K68-R70 PolarHBondContact O-N 3.12Å | ||
| 69 | S | 95.8 | Very high | 95.4 | Very high | 15 Ų | 15 | 63.8 Ų | 63.8 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 137.3 | 173.4 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | Y38 V60 G71 | Y38-S69 WeakPolarHBondContact CD1-O 3.36Å; Y38-S69 VanDerWaalsContact O-CB 3.22Å; Y38-S69 WeakPolarHBondContact O-CB 3.46Å; V60-S69 VanDerWaalsContact CG1-OG 3.31Å; V60-S69 WeakPolarHBondContact CG1-OG 3.46Å; S69-G71 PolarHBondContact O-N 2.95Å; S69-G71 PolarHBondContact OG-N 2.97Å; S69-G71 VanDerWaalsContact OG-N 3.11Å |
| 70 | R | 95.1 | Very high | 95.3 | Very high | 112 Ų | 112 | 67.4 Ų | 67.4 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 2.3 | 173.1 | -59 | -173.8 | 70.8 | 179.5 | 3.1 | 112.7 | I61 D63 K68 Y72 | I61-R70 HydrophobicContact CG2-CG 4.35Å; I61-R70 WeakPolarHBondContact O-CB 3.16Å; I61-R70 PolarHBondContact O-N 3.18Å; D63-R70 HydrophobicContact CB-CG 4.42Å; K68-R70 PolarHBondContact O-N 3.12Å; R70-Y72 VanDerWaalsContact C-N 3.33Å; R70-Y72 HydrophobicContact CB-CD1 3.66Å; R70-Y72 HydrophobicContact CB-CE1 3.38Å; R70-Y72 HydrophobicContact CG-CE1 4.24Å; R70-Y72 PolarHBondContact NH1-OH 2.99Å |
| 71 | G | 95.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 68.9 Ų | 68.9 | 8% | 0.082 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.7 | 21.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G35 L36 S69 | G35-G71 PolarHBondContact N-O 3.47Å; L36-G71 PolarHBondContact N-O 2.83Å; L36-G71 WeakPolarHBondContact O-CA 3.22Å; S69-G71 PolarHBondContact O-N 2.95Å; S69-G71 PolarHBondContact OG-N 2.97Å; S69-G71 VanDerWaalsContact OG-N 3.11Å |
| 72 | Y | 96.3 | Very high | 95.3 | Very high | 42 Ų | 42 | 66.7 Ų | 66.7 | 17% | 0.165 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 159 | 172.5 | 72.3 | -87.6 | 0 | 0 | 0 | 111.4 | F32 V33 I61 R70 F74 | F32-Y72 AromaticContact CE2-CD2 3.89Å; F32-Y72 HydrophobicContact CE2-CD2 3.89Å; F32-Y72 HydrophobicContact CE2-CG 4.18Å; V33-Y72 CarbonylContact O-C 3.54Å; V33-Y72 WeakPolarHBondContact O-CA 3.42Å; V33-Y72 WeakPolarHBondContact O-CB 3.39Å; I61-Y72 HydrophobicContact CB-CD2 4.23Å; I61-Y72 HydrophobicContact CB-CE1 4.4Å; I61-Y72 HydrophobicContact CB-CE2 3.74Å; I61-Y72 HydrophobicContact CG1-CD2 3.96Å; I61-Y72 HydrophobicContact CG1-CE2 3.47Å; I61-Y72 VanDerWaalsContact CG1-CE2 3.47Å; I61-Y72 HydrophobicContact CG2-CE2 4.19Å; I61-Y72 PolarHBondContact N-O 3.13Å; R70-Y72 VanDerWaalsContact C-N 3.33Å; R70-Y72 HydrophobicContact CB-CD1 3.66Å; R70-Y72 HydrophobicContact CB-CE1 3.38Å; R70-Y72 HydrophobicContact CG-CE1 4.24Å; R70-Y72 PolarHBondContact NH1-OH 2.99Å; Y72-F74 HydrophobicContact CD2-CE2 4.31Å; Y72-F74 HydrophobicContact CE2-CE2 4.03Å; Y72-F74 HydrophobicContact CE2-CZ 4.48Å |
| 73 | G | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 177.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V33 V59 | V33-G73 PolarHBondContact N-O 3.4Å; V33-G73 PolarHBondContact O-N 3Å; V59-G73 CarbonylContact O-C 3.56Å; V59-G73 WeakPolarHBondContact O-CA 3.39Å |
| 74 | F | 96.5 | Very high | 95.3 | Very high | 59 Ų | 59 | 64.7 Ų | 64.7 | 26% | 0.259 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.7 | 173.6 | -63.6 | -81.9 | 0 | 0 | 0 | 109.7 | I31 F32 V59 I61 Y72 A104 | I31-F74 CarbonylContact O-C 3.6Å; I31-F74 VanDerWaalsContact O-CA 3.28Å; I31-F74 WeakPolarHBondContact O-CA 3.2Å; F32-F74 HydrophobicContact CB-CD1 4.39Å; F32-F74 HydrophobicContact CB-CE1 4.2Å; F32-F74 HydrophobicContact CD2-CD1 4.45Å; F32-F74 AromaticContact CD2-CE1 3.84Å; F32-F74 HydrophobicContact CD2-CE1 3.84Å; F32-F74 HydrophobicContact CD2-CZ 4.17Å; V59-F74 PolarHBondContact N-O 3.02Å; V59-F74 PolarHBondContact O-N 2.67Å; I61-F74 HydrophobicContact CD1-CD2 4.14Å; I61-F74 HydrophobicContact CD1-CE2 4.35Å; I61-F74 HydrophobicContact CG1-CD2 4.12Å; I61-F74 HydrophobicContact CG1-CE2 4.08Å; Y72-F74 HydrophobicContact CD2-CE2 4.31Å; Y72-F74 HydrophobicContact CE2-CE2 4.03Å; Y72-F74 HydrophobicContact CE2-CZ 4.48Å; F74-A104 HydrophobicContact CD1-CB 4.16Å; F74-A104 HydrophobicContact CE1-CB 4.23Å |
| 75 | V | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.6 | 174.2 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | K30 I31 V33 L45 F49 I55 E57 A58 M77 | K30-V75 CarbonylContact C-O 3.53Å; I31-V75 HydrophobicContact CB-CB 4.49Å; I31-V75 WeakPolarHBondContact CB-O 3.32Å; I31-V75 PolarHBondContact N-O 3.28Å; I31-V75 PolarHBondContact O-N 2.93Å; V33-V75 HydrophobicContact CG2-CG2 4.14Å; L45-V75 HydrophobicContact CD2-CG2 3.67Å; L45-V75 HydrophobicContact CG-CG2 3.86Å; F49-V75 HydrophobicContact CB-CG1 4.04Å; F49-V75 HydrophobicContact CD2-CG2 3.82Å; F49-V75 HydrophobicContact CE2-CG2 4.12Å; F49-V75 HydrophobicContact CG-CB 4.47Å; F49-V75 HydrophobicContact CG-CG1 4.13Å; F49-V75 HydrophobicContact CG-CG2 4.17Å; I55-V75 HydrophobicContact CD1-CG1 4.19Å; I55-V75 HydrophobicContact CG1-CG1 4.36Å; I55-V75 HydrophobicContact CG2-CG1 4.02Å; E57-V75 CarbonylContact O-C 3.49Å; E57-V75 WeakPolarHBondContact O-CA 3.37Å; A58-V75 HydrophobicContact CB-CG2 4.31Å; V75-M77 HydrophobicContact CG1-SD 3.72Å |
| 76 | T | 95.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.2 | 173.1 | -54.7 | 0 | 0 | 0 | 0 | 107.6 | T26 D56 E57 | T26-T76 HydrophobicContact CG2-CG2 3.51Å; D56-T76 HydrophobicContact CB-CG2 3.99Å; D56-T76 WeakPolarHBondContact CB-O 3.4Å; D56-T76 PolarHBondContact N-O 2.76Å; E57-T76 PolarHBondContact N-O 3.05Å; E57-T76 PolarHBondContact O-N 3.12Å |
| 77 | M | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 150.8 | 174.6 | -54.4 | -55.2 | -69.2 | 0 | 0 | 110.2 | T29 I31 F49 I55 V75 D79 A82 A83 | T29-M77 WeakPolarHBondContact CB-O 3.17Å; T29-M77 PolarHBondContact O-N 3.35Å; I31-M77 HydrophobicContact CD1-CG 3.59Å; I31-M77 HydrophobicContact CD1-SD 4.01Å; I31-M77 HydrophobicContact CG1-CG 4.39Å; F49-M77 HydrophobicContact CB-SD 4.5Å; I55-M77 HydrophobicContact CG1-CE 4.07Å; I55-M77 HydrophobicContact CG1-SD 4.06Å; V75-M77 HydrophobicContact CG1-SD 3.72Å; M77-D79 VanDerWaalsContact C-N 3.31Å; M77-D79 WeakPolarHBondContact CB-O 3.29Å; M77-A82 HydrophobicContact CB-CB 4.27Å; M77-A82 HydrophobicContact CE-CB 3.78Å; M77-A82 HydrophobicContact CG-CB 4.45Å; M77-A83 HydrophobicContact CB-CB 4.18Å; M77-A83 HydrophobicContact CG-CB 3.83Å |
| 78 | V | 95.1 | Very high | 95.3 | Very high | 74 Ų | 74 | 55.1 Ų | 55.1 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -66.7 | -40.2 | 171.6 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | D54 D56 | D54-V78 HydrophobicContact CB-CB 4.07Å; D54-V78 HydrophobicContact CB-CG2 3.8Å; D54-V78 PolarHBondContact O-N 2.84Å; D56-V78 HydrophobicContact CB-CG2 4.02Å |
| 79 | D | 95 | Very high | 95.2 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 44% | 0.444 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -112.1 | 143.3 | -175.9 | -180 | -103 | 0 | 0 | 0 | 112.4 | M77 A81 A82 A83 | M77-D79 VanDerWaalsContact C-N 3.31Å; M77-D79 WeakPolarHBondContact CB-O 3.29Å; D79-A81 VanDerWaalsContact OD1-CA 3.29Å; D79-A81 WeakPolarHBondContact OD1-CA 3.36Å; D79-A81 WeakPolarHBondContact OD1-CB 3.33Å; D79-A81 PolarHBondContact OD1-N 2.74Å; D79-A82 HydrophobicContact CB-CB 4.22Å; D79-A82 PolarHBondContact O-N 2.93Å; D79-A82 PolarHBondContact OD1-N 2.95Å; D79-A83 PolarHBondContact O-N 2.95Å |
| 80 | R | 94.6 | Very high | 95 | Very high | 128 Ų | 128 | 53.9 Ų | 53.9 | 48% | 0.483 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.9 | -39.7 | 178.9 | 177 | -178.1 | 163.8 | -178.4 | -3.5 | 112.4 | T29 A82 A83 E84 | T29-R80 HydrophobicContact CG2-CB 4.17Å; R80-A82 PolarHBondContact O-N 2.8Å; R80-A83 WeakPolarHBondContact O-CB 3.12Å; R80-A83 PolarHBondContact O-N 2.99Å; R80-A83 VanDerWaalsContact O-N 3.07Å; R80-E84 HydrophobicContact CG-CG 4.49Å; R80-E84 IonicContact CZ-OE1 3.41Å; R80-E84 IonicContact NE-OE1 3.04Å; R80-E84 PolarHBondContact NE-OE1 3.4Å; R80-E84 IonicContact NH2-OE1 2.9Å; R80-E84 PolarHBondContact NH2-OE1 3.06Å; R80-E84 PolarHBondContact O-N 3.15Å |
| 81 | A | 94.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.9 | -29.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D79 R85 | D79-A81 VanDerWaalsContact OD1-CA 3.29Å; D79-A81 WeakPolarHBondContact OD1-CA 3.36Å; D79-A81 WeakPolarHBondContact OD1-CB 3.33Å; D79-A81 PolarHBondContact OD1-N 2.74Å; A81-R85 WeakPolarHBondContact O-CB 3.43Å; A81-R85 VanDerWaalsContact O-CG 3.28Å; A81-R85 WeakPolarHBondContact O-CG 3.33Å; A81-R85 PolarHBondContact O-N 3.38Å; A81-R85 PolarHBondContact O-NE 2.8Å |
| 82 | A | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 169 | 0 | 0 | 0 | 0 | 0 | 112.1 | M77 D79 R80 R85 A86 | M77-A82 HydrophobicContact CB-CB 4.27Å; M77-A82 HydrophobicContact CE-CB 3.78Å; M77-A82 HydrophobicContact CG-CB 4.45Å; D79-A82 HydrophobicContact CB-CB 4.22Å; D79-A82 PolarHBondContact O-N 2.93Å; D79-A82 PolarHBondContact OD1-N 2.95Å; R80-A82 PolarHBondContact O-N 2.8Å; A82-R85 PolarHBondContact O-N 2.92Å; A82-A86 PolarHBondContact O-N 2.81Å |
| 83 | A | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I31 M77 D79 R80 R85 A86 C87 L103 | I31-A83 HydrophobicContact CD1-CB 4.01Å; I31-A83 HydrophobicContact CG1-CB 4.02Å; M77-A83 HydrophobicContact CB-CB 4.18Å; M77-A83 HydrophobicContact CG-CB 3.83Å; D79-A83 PolarHBondContact O-N 2.95Å; R80-A83 WeakPolarHBondContact O-CB 3.12Å; R80-A83 PolarHBondContact O-N 2.99Å; R80-A83 VanDerWaalsContact O-N 3.07Å; A83-R85 VanDerWaalsContact C-N 3.33Å; A83-R85 PolarHBondContact O-N 2.78Å; A83-A86 PolarHBondContact O-N 2.89Å; A83-C87 PolarHBondContact O-N 3.22Å; A83-C87 PolarHBondContact O-SG 2.79Å; A83-L103 HydrophobicContact CB-CD2 4.34Å |
| 84 | E | 94.4 | Very high | 94.9 | Very high | 88 Ų | 88 | 55.3 Ų | 55.3 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176 | -71 | 172.3 | 152 | 0 | 0 | 111.8 | R80 C87 K88 | R80-E84 HydrophobicContact CG-CG 4.49Å; R80-E84 IonicContact CZ-OE1 3.41Å; R80-E84 IonicContact NE-OE1 3.04Å; R80-E84 PolarHBondContact NE-OE1 3.4Å; R80-E84 IonicContact NH2-OE1 2.9Å; R80-E84 PolarHBondContact NH2-OE1 3.06Å; R80-E84 PolarHBondContact O-N 3.15Å; E84-C87 PolarHBondContact O-N 3.14Å; E84-K88 PolarHBondContact O-N 2.78Å; E84-K88 VanDerWaalsContact O-N 3.15Å |
| 85 | R | 95.5 | Very high | 94.6 | Very high | 131 Ų | 131 | 56.3 Ų | 56.3 | 49% | 0.494 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 174 | -77.5 | -175.8 | -69.7 | 157.2 | -4.6 | 112.5 | F52 A81 A82 A83 C87 K88 | F52-R85 HydrophobicContact CD1-CB 4.45Å; F52-R85 PolarHBondContact O-NH1 3.34Å; F52-R85 VanDerWaalsContact O-NH1 3.16Å; F52-R85 PolarHBondContact O-NH2 3.45Å; A81-R85 WeakPolarHBondContact O-CB 3.43Å; A81-R85 VanDerWaalsContact O-CG 3.28Å; A81-R85 WeakPolarHBondContact O-CG 3.33Å; A81-R85 PolarHBondContact O-N 3.38Å; A81-R85 PolarHBondContact O-NE 2.8Å; A82-R85 PolarHBondContact O-N 2.92Å; A83-R85 VanDerWaalsContact C-N 3.33Å; A83-R85 PolarHBondContact O-N 2.78Å; R85-C87 VanDerWaalsContact C-N 3.3Å; R85-C87 PolarHBondContact O-N 2.8Å; R85-K88 WeakPolarHBondContact O-CB 3.2Å; R85-K88 PolarHBondContact O-N 3.45Å; R85-K88 VanDerWaalsContact O-N 3.16Å |
| 86 | A | 94.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -33.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I31 F49 F52 A82 A83 K88 | I31-A86 HydrophobicContact CD1-CB 3.75Å; F49-A86 HydrophobicContact CD1-CB 3.95Å; F49-A86 HydrophobicContact CE1-CB 3.93Å; F52-A86 HydrophobicContact CB-CB 4.26Å; F52-A86 HydrophobicContact CD1-CB 4.48Å; F52-A86 HydrophobicContact CD2-CB 3.87Å; F52-A86 HydrophobicContact CE2-CB 4.35Å; F52-A86 HydrophobicContact CG-CB 3.95Å; A82-A86 PolarHBondContact O-N 2.81Å; A83-A86 PolarHBondContact O-N 2.89Å; A86-K88 VanDerWaalsContact C-N 3.3Å; A86-K88 PolarHBondContact O-N 3.07Å |
| 87 | C | 94.2 | Very high | 94.3 | Very high | 28 Ų | 28 | 65 Ų | 65 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -5.6 | 174.3 | -68.1 | 0 | 0 | 0 | 0 | 114.4 | A83 E84 R85 D89 | A83-C87 PolarHBondContact O-N 3.22Å; A83-C87 PolarHBondContact O-SG 2.79Å; E84-C87 PolarHBondContact O-N 3.14Å; R85-C87 VanDerWaalsContact C-N 3.3Å; R85-C87 PolarHBondContact O-N 2.8Å; C87-D89 VanDerWaalsContact C-N 3.29Å; C87-D89 PolarHBondContact O-N 2.74Å |
| 88 | K | 94.3 | Very high | 94.3 | Very high | 180 Ų | 180 | 71.7 Ų | 71.7 | 78% | 0.783 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -33.9 | 176.8 | -173.4 | 171.9 | 179 | -74.1 | 0 | 112.1 | E84 R85 A86 P90 | E84-K88 PolarHBondContact O-N 2.78Å; E84-K88 VanDerWaalsContact O-N 3.15Å; R85-K88 WeakPolarHBondContact O-CB 3.2Å; R85-K88 PolarHBondContact O-N 3.45Å; R85-K88 VanDerWaalsContact O-N 3.16Å; A86-K88 VanDerWaalsContact C-N 3.3Å; A86-K88 PolarHBondContact O-N 3.07Å; K88-P90 WeakPolarHBondContact O-CD 3.47Å |
| 89 | D | 92.5 | Very high | 94.4 | Very high | 81 Ų | 81 | 68.3 Ų | 68.3 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -104.6 | 99.5 | 169.2 | -169.8 | -105.7 | 0 | 0 | 0 | 109 | C87 N91 P92 | C87-D89 VanDerWaalsContact C-N 3.29Å; C87-D89 PolarHBondContact O-N 2.74Å; D89-N91 PolarHBondContact O-N 3.16Å; D89-P92 WeakPolarHBondContact O-CD 3.23Å; D89-P92 VanDerWaalsContact OD1-CA 3.23Å; D89-P92 WeakPolarHBondContact OD1-CA 3.39Å; D89-P92 WeakPolarHBondContact OD1-CB 3.49Å |
| 90 | P | 91.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 67.5 Ų | 67.5 | 38% | 0.377 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -74 | -14.3 | -176.1 | 28.4 | -34.8 | 0 | 0 | 0 | 112.9 | K88 P92 N100 V101 | K88-P90 WeakPolarHBondContact O-CD 3.47Å; P90-P92 VanDerWaalsContact C-CD 3.46Å; P90-N100 CarbonylContact O-C 3.45Å; P90-N100 VanDerWaalsContact O-CA 3.31Å; P90-N100 WeakPolarHBondContact O-CA 3.35Å; P90-V101 PolarHBondContact O-N 3.37Å |
| 91 | N | 95.8 | Very high | 94.5 | Very high | 78 Ų | 78 | 61.5 Ų | 61.5 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -131.5 | 57.4 | -172.4 | -57.1 | 120.7 | 0 | 0 | 0 | 114.6 | D89 K98 A99 | D89-N91 PolarHBondContact O-N 3.16Å; N91-K98 HydrophobicContact CB-CD 4.19Å; N91-K98 HydrophobicContact CB-CG 4.21Å; N91-A99 VanDerWaalsContact CA-O 3.31Å; N91-A99 WeakPolarHBondContact CA-O 3.46Å |
| 92 | P | 94.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.039 | 32% | 0.319 | C | S | . | . | trans | -72.9 | 158.9 | -178.1 | 28.3 | -33.3 | 0 | 0 | 0 | 112.3 | Y48 D89 P90 I94 A99 V101 | Y48-P92 HydrophobicContact CE1-CB 4.13Å; Y48-P92 HydrophobicContact CE1-CG 4.26Å; Y48-P92 WeakPolarHBondContact OH-CB 3.48Å; D89-P92 WeakPolarHBondContact O-CD 3.23Å; D89-P92 VanDerWaalsContact OD1-CA 3.23Å; D89-P92 WeakPolarHBondContact OD1-CA 3.39Å; D89-P92 WeakPolarHBondContact OD1-CB 3.49Å; P90-P92 VanDerWaalsContact C-CD 3.46Å; P92-I94 HydrophobicContact CG-CD1 4.44Å; P92-A99 HydrophobicContact CG-CB 4.45Å; P92-A99 PolarHBondContact O-N 3.45Å; P92-V101 HydrophobicContact CG-CG2 3.49Å; P92-V101 VanDerWaalsContact CG-CG2 3.49Å | ||
| 93 | I | 95 | Very high | 94.5 | Very high | 104 Ų | 104 | 63.2 Ų | 63.2 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115 | 171 | -52.8 | -54.2 | 0 | 0 | 0 | 109 | R97 K98 | I93-R97 WeakPolarHBondContact CA-O 3.48Å; I93-K98 HydrophobicContact CD1-CB 3.69Å; I93-K98 HydrophobicContact CD1-CG 4Å |
| 94 | I | 93.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.6 | 177.1 | -56.1 | 177.5 | 0 | 0 | 0 | 107.9 | V33 L36 L45 Y48 F49 P92 G96 R97 A99 | V33-I94 HydrophobicContact CG1-CD1 4.02Å; L36-I94 HydrophobicContact CD2-CB 4.2Å; L36-I94 HydrophobicContact CD2-CD1 3.88Å; L36-I94 HydrophobicContact CD2-CG2 4.06Å; L45-I94 HydrophobicContact CD1-CD1 4.4Å; Y48-I94 HydrophobicContact CD1-CD1 3.83Å; Y48-I94 HydrophobicContact CD1-CG1 4.05Å; Y48-I94 HydrophobicContact CD2-CG1 4.26Å; Y48-I94 HydrophobicContact CE1-CD1 4.04Å; Y48-I94 HydrophobicContact CE1-CG1 4.1Å; Y48-I94 HydrophobicContact CE2-CG1 4.32Å; Y48-I94 HydrophobicContact CG-CD1 4.29Å; Y48-I94 HydrophobicContact CG-CG1 4.15Å; F49-I94 HydrophobicContact CE2-CD1 4.2Å; P92-I94 HydrophobicContact CG-CD1 4.44Å; I94-G96 PolarHBondContact O-N 3.03Å; I94-G96 VanDerWaalsContact O-N 3.12Å; I94-R97 PolarHBondContact N-O 3.4Å; I94-R97 PolarHBondContact O-N 3.49Å; I94-R97 VanDerWaalsContact O-O 3.11Å; I94-A99 HydrophobicContact CB-CB 4.43Å; I94-A99 HydrophobicContact CD1-CB 3.82Å; I94-A99 HydrophobicContact CG1-CB 4.08Å |
| 95 | D | 90.3 | Very high | 94.3 | Very high | 80 Ų | 80 | 64.5 Ų | 64.5 | 43% | 0.428 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 37.8 | -178.4 | -77.5 | -86.9 | 0 | 0 | 0 | 113.1 | P37 R97 | P37-D95 HydrophobicContact CG-CB 3.88Å; D95-R97 VanDerWaalsContact C-N 3.31Å; D95-R97 PolarHBondContact O-N 3.01Å |
| 96 | G | 93.1 | Very high | 94 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 75% | 0.753 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I94 | I94-G96 PolarHBondContact O-N 3.03Å; I94-G96 VanDerWaalsContact O-N 3.12Å |
| 97 | R | 94.4 | Very high | 93.5 | Very high | 121 Ų | 121 | 64.7 Ų | 64.7 | 46% | 0.457 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142 | 175.9 | -169.2 | 173.5 | -172.4 | 172.6 | 5.3 | 111.3 | G35 P37 I93 I94 D95 A99 | G35-R97 VanDerWaalsContact O-CD 3.32Å; G35-R97 WeakPolarHBondContact O-CD 3.28Å; P37-R97 HydrophobicContact CG-CB 3.62Å; I93-R97 WeakPolarHBondContact CA-O 3.48Å; I94-R97 PolarHBondContact N-O 3.4Å; I94-R97 PolarHBondContact O-N 3.49Å; I94-R97 VanDerWaalsContact O-O 3.11Å; D95-R97 VanDerWaalsContact C-N 3.31Å; D95-R97 PolarHBondContact O-N 3.01Å; R97-A99 PolarHBondContact O-N 3.27Å |
| 98 | K | 96.1 | Very high | 92.5 | Very high | 140 Ų | 140 | 67 Ų | 67 | 61% | 0.609 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 114.7 | 174.1 | -168.6 | 173.1 | 72 | 175.5 | 0 | 110.3 | N91 I93 | N91-K98 HydrophobicContact CB-CD 4.19Å; N91-K98 HydrophobicContact CB-CG 4.21Å; I93-K98 HydrophobicContact CD1-CB 3.69Å; I93-K98 HydrophobicContact CD1-CG 4Å |
| 99 | A | 96.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.025 | 37% | 0.368 | C | S | . | . | trans | -92.2 | 171.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V33 G34 L36 N91 P92 I94 R97 | V33-A99 HydrophobicContact CG1-CB 4.37Å; G34-A99 CarbonylContact O-C 3.6Å; G34-A99 WeakPolarHBondContact O-CA 3.31Å; G34-A99 WeakPolarHBondContact O-CB 3.31Å; L36-A99 HydrophobicContact CD2-CB 4.3Å; N91-A99 VanDerWaalsContact CA-O 3.31Å; N91-A99 WeakPolarHBondContact CA-O 3.46Å; P92-A99 HydrophobicContact CG-CB 4.45Å; P92-A99 PolarHBondContact O-N 3.45Å; I94-A99 HydrophobicContact CB-CB 4.43Å; I94-A99 HydrophobicContact CD1-CB 3.82Å; I94-A99 HydrophobicContact CG1-CB 4.08Å; R97-A99 PolarHBondContact O-N 3.27Å | ||
| 100 | N | 95.6 | Very high | 89.5 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 35% | 0.348 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 121.9 | 172.9 | 179.7 | 78.9 | 0 | 0 | 0 | 109.5 | V33 G34 P90 | V33-N100 CarbonylContact C-O 3.55Å; V33-N100 WeakPolarHBondContact CA-O 3.26Å; G34-N100 PolarHBondContact N-O 2.98Å; G34-N100 PolarHBondContact O-N 2.84Å; P90-N100 CarbonylContact O-C 3.45Å; P90-N100 VanDerWaalsContact O-CA 3.31Å; P90-N100 WeakPolarHBondContact O-CA 3.35Å |
| 101 | V | 96 | Very high | 87.5 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.018 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.1 | -177.1 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | I31 F32 V33 F49 P90 P92 | I31-V101 HydrophobicContact CG2-CG1 3.39Å; F32-V101 WeakPolarHBondContact O-CA 3.31Å; V33-V101 HydrophobicContact CG1-CG2 4.21Å; F49-V101 HydrophobicContact CE1-CG1 4.11Å; F49-V101 HydrophobicContact CE1-CG2 4.47Å; F49-V101 HydrophobicContact CZ-CG1 4.24Å; F49-V101 HydrophobicContact CZ-CG2 3.9Å; P90-V101 PolarHBondContact O-N 3.37Å; P92-V101 HydrophobicContact CG-CG2 3.49Å; P92-V101 VanDerWaalsContact CG-CG2 3.49Å |
| 102 | N | 95.6 | Very high | 85.1 | Confident | 63 Ų | 63 | 75.9 Ų | 75.9 | 34% | 0.337 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 159.6 | 176.8 | -153.6 | -2.7 | 0 | 0 | 0 | 111.3 | I31 F32 A104 L106 | I31-N102 CarbonylContact C-O 3.44Å; I31-N102 WeakPolarHBondContact CA-O 3.28Å; F32-N102 PolarHBondContact N-O 3.19Å; F32-N102 PolarHBondContact O-N 2.82Å; N102-A104 PolarHBondContact O-N 3.46Å; N102-L106 WeakPolarHBondContact OD1-CD1 3.19Å |
| 103 | L | 95.3 | Very high | 83 | Confident | 19 Ų | 19 | 80.6 Ų | 80.6 | 10% | 0.099 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 132.8 | 172.4 | -65.3 | 168.3 | 0 | 0 | 0 | 109.5 | A83 Y105 L106 | A83-L103 HydrophobicContact CB-CD2 4.34Å; L103-Y105 HydrophobicContact CB-CD1 3.53Å; L103-Y105 HydrophobicContact CB-CE1 3.24Å; L103-Y105 HydrophobicContact CD1-CD1 4.48Å; L103-Y105 HydrophobicContact CD1-CE1 3.43Å; L103-Y105 VanDerWaalsContact CD1-CE1 3.43Å; L103-Y105 HydrophobicContact CG-CE1 3.87Å; L103-Y105 PolarHBondContact O-N 2.73Å; L103-L106 HydrophobicContact CB-CD1 4.19Å; L103-L106 WeakPolarHBondContact O-CB 3.02Å; L103-L106 PolarHBondContact O-N 3.38Å |
| 104 | A | 93.9 | Very high | 80.7 | Confident | 12 Ų | 12 | 83.7 Ų | 83.7 | 10% | 0.099 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.4 | -30 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K30 F32 F74 N102 L106 G107 A108 | K30-A104 HydrophobicContact CB-CB 3.98Å; K30-A104 HydrophobicContact CD-CB 4.06Å; K30-A104 HydrophobicContact CG-CB 3.69Å; K30-A104 WeakPolarHBondContact O-CB 3.25Å; K30-A104 PolarHBondContact O-N 3.16Å; F32-A104 HydrophobicContact CB-CB 4.38Å; F74-A104 HydrophobicContact CD1-CB 4.16Å; F74-A104 HydrophobicContact CE1-CB 4.23Å; N102-A104 PolarHBondContact O-N 3.46Å; A104-L106 PolarHBondContact O-N 3.35Å; A104-G107 PolarHBondContact O-N 3.06Å; A104-A108 PolarHBondContact O-N 3.49Å |
| 105 | Y | 92.4 | Very high | 78.6 | Confident | 104 Ų | 104 | 90.2 Ų | 90.2 | 41% | 0.408 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -26.8 | 176.3 | 72.3 | -96.1 | 0 | 0 | 0 | 113 | T27 Y28 L103 G107 | T27-Y105 HydrophobicContact CG2-CD1 4.34Å; T27-Y105 HydrophobicContact CG2-CG 4.32Å; T27-Y105 WeakPolarHBondContact O-CD1 3.25Å; Y28-Y105 HydrophobicContact CD1-CE1 4.08Å; Y28-Y105 HydrophobicContact CE1-CE1 4.4Å; L103-Y105 HydrophobicContact CB-CD1 3.53Å; L103-Y105 HydrophobicContact CB-CE1 3.24Å; L103-Y105 HydrophobicContact CD1-CD1 4.48Å; L103-Y105 HydrophobicContact CD1-CE1 3.43Å; L103-Y105 VanDerWaalsContact CD1-CE1 3.43Å; L103-Y105 HydrophobicContact CG-CE1 3.87Å; L103-Y105 PolarHBondContact O-N 2.73Å; Y105-G107 VanDerWaalsContact C-N 3.3Å; Y105-G107 PolarHBondContact O-N 2.96Å |
| 106 | L | 90.3 | Very high | 76.6 | Confident | 90 Ų | 90 | 89.7 Ų | 89.7 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.7 | -25.7 | 177.7 | -64.2 | 168.5 | 0 | 0 | 0 | 112.3 | N102 L103 A104 | N102-L106 WeakPolarHBondContact OD1-CD1 3.19Å; L103-L106 HydrophobicContact CB-CD1 4.19Å; L103-L106 WeakPolarHBondContact O-CB 3.02Å; L103-L106 PolarHBondContact O-N 3.38Å; A104-L106 PolarHBondContact O-N 3.35Å |
| 107 | G | 82.1 | Confident | 74.4 | Confident | 48 Ų | 48 | 94 Ų | 94 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -95.2 | -7.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A104 Y105 K109 | A104-G107 PolarHBondContact O-N 3.06Å; Y105-G107 VanDerWaalsContact C-N 3.3Å; Y105-G107 PolarHBondContact O-N 2.96Å; G107-K109 PolarHBondContact O-N 3.22Å |
| 108 | A | 73.6 | Confident | 72.3 | Confident | 75 Ų | 75 | 94.8 Ų | 94.8 | 62% | 0.62 | 54% | 0.537 | S | S | * | . | trans | -73.6 | 44.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A104 | A104-A108 PolarHBondContact O-N 3.49Š| ||
| 109 | K | 69.1 | Low | 69.8 | Low | 172 Ų | 172 | 92.3 Ų | 92.3 | 75% | 0.748 | 54% | 0.543 | S | S | * | . | trans | -58.4 | 127.5 | 163.9 | -75.1 | 143.1 | 173.4 | 173.5 | 0 | 107.2 | G107 R111 | G107-K109 PolarHBondContact O-N 3.22Å; K109-R111 PolarHBondContact O-N 3.28Å | ||
| 110 | P | 54.4 | Low | 67.4 | Low | 127 Ų | 127 | 95.3 Ų | 95.3 | 83% | 0.825 | 57% | 0.574 | S | S | * | * | trans | -59.6 | 103.6 | 177.8 | 24.1 | -32 | 0 | 0 | 0 | 107.1 | S112 | P110-S112 VanDerWaalsContact C-N 3.31Å; P110-S112 PolarHBondContact O-N 3.02Å | ||
| 111 | R | 50.8 | Low | 65 | Low | 183 Ų | 183 | 98.9 Ų | 98.9 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | trans | -71 | 98.6 | 177.1 | -166.1 | 174 | -163.8 | 148.6 | 5.1 | 104.9 | K109 S113 | K109-R111 PolarHBondContact O-N 3.28Å; R111-S113 PolarHBondContact O-N 2.78Å | ||
| 112 | S | 46.1 | Very low | 62.6 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 72% | 0.72 | 63% | 0.634 | S | S | * | * | trans | -56.9 | 96.5 | 163.4 | 45.7 | 0 | 0 | 0 | 0 | 106.6 | P110 Q114 | P110-S112 VanDerWaalsContact C-N 3.31Å; P110-S112 PolarHBondContact O-N 3.02Å; S112-Q114 PolarHBondContact O-N 2.86Å | ||
| 113 | S | 49.4 | Very low | 60 | Low | 105 Ų | 105 | 111.1 Ų | 111.1 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | trans | -67.8 | 74.3 | 163.7 | 50.3 | 0 | 0 | 0 | 0 | 106.6 | R111 T115 | R111-S113 PolarHBondContact O-N 2.78Å; S113-T115 PolarHBondContact O-N 2.79Å | ||
| 114 | Q | 46.3 | Very low | 57.8 | Low | 169 Ų | 169 | 115.6 Ų | 115.6 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | trans | -75.9 | 70 | 168.7 | -137.4 | -170.9 | 48.1 | 0 | 0 | 107.1 | S112 A116 | S112-Q114 PolarHBondContact O-N 2.86Å; Q114-A116 HydrophobicContact CG-CB 4.14Å; Q114-A116 PolarHBondContact O-N 3.34Å | ||
| 115 | T | 49.8 | Very low | 55.3 | Low | 139 Ų | 139 | 122.6 Ų | 122.6 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | trans | -88.2 | 67 | 148.8 | -47.2 | 0 | 0 | 0 | 0 | 105.6 | S113 | S113-T115 PolarHBondContact O-N 2.79Š| ||
| 116 | A | 48.8 | Very low | 53.6 | Low | 70 Ų | 70 | 122.1 Ų | 122.1 | 58% | 0.579 | 73% | 0.725 | S | S | * | * | trans | -117 | 92.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | Q114 | Q114-A116 HydrophobicContact CG-CB 4.14Å; Q114-A116 PolarHBondContact O-N 3.34Å | ||
| 117 | L | 47 | Very low | 51.5 | Low | 164 Ų | 164 | 123.9 Ų | 123.9 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | trans | 22 | 113.4 | 147.9 | -54 | 164.3 | 0 | 0 | 0 | 115.8 | A119 | L117-A119 PolarHBondContact O-N 3.04Š| ||
| 118 | S | 48.9 | Very low | 50 | Low | 136 Ų | 136 | 132.5 Ų | 132.5 | 95% | 0.951 | 76% | 0.758 | S | S | * | * | trans | -56.8 | 101.4 | 155.6 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 119 | A | 43.8 | Very low | 49.1 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | -149.6 | 97.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 103.4 | L117 | L117-A119 PolarHBondContact O-N 3.04Š| ||
| 120 | G | 47.4 | Very low | 47.9 | Very low | 66 Ų | 66 | 133.4 Ų | 133.4 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | 73.5 | 119.2 | 83.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 121 | V | 44.9 | Very low | 47.4 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | 93.7 | 98.6 | 162.7 | -160.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 122 | H | 44.2 | Very low | 46.8 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 16 | 131.2 | 130.7 | -75.7 | 129.5 | 0 | 0 | 0 | 121.8 | ||||
| 123 | Q | 42.2 | Very low | 46.5 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | 82 | 125.1 | 125.2 | -62 | -73.5 | 35.6 | 0 | 0 | 121.4 | |||||
| 124 | V | 49 | Very low | 45.9 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | 11.3 | 129.8 | 142.5 | -124.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 125 | L | 39.9 | Very low | 45.7 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | -176.3 | 150.3 | 106.2 | -130.6 | 70 | 0 | 0 | 0 | 111.6 | |||||
| 126 | P | 57.1 | Low | 45.4 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 61% | 0.61 | 80% | 0.798 | S | S | * | * | trans | -93.6 | 165.8 | 166.6 | 36.6 | -27.5 | 0 | 0 | 0 | 111.8 | ||||
| 127 | T | 46.1 | Very low | 45.4 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 93.1 | 149 | 158.9 | 71.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 128 | W | 51.8 | Low | 44.9 | Very low | 229 Ų | 229 | 151 Ų | 151 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -111.8 | 154.4 | -157.3 | 38.1 | -76.1 | 0 | 0 | 0 | 108.8 | ||||
| 129 | A | 54.6 | Low | 44.9 | Very low | 83 Ų | 83 | 155.2 Ų | 155.2 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | trans | 76.2 | 139.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 130 | Q | 42.4 | Very low | 44.9 | Very low | 183 Ų | 183 | 157.2 Ų | 157.2 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | cis | -162.4 | 144.6 | 27.1 | -149.5 | 140.5 | -100.2 | 0 | 0 | 109.2 | ||||
| 131 | R | 45.5 | Very low | 44.7 | Very low | 238 Ų | 238 | 163.3 Ų | 163.3 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | -71.8 | 131.6 | 161.9 | -78.5 | -94.5 | -162.7 | -101.6 | 1.4 | 108.8 | ||||
| 132 | Q | 38.7 | Very low | 45 | Very low | 191 Ų | 191 | 162.4 Ų | 162.4 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -159.2 | 139.1 | 139.2 | -157.9 | 144.2 | -53.1 | 0 | 0 | 111.7 | ||||
| 133 | Y | 38.4 | Very low | 45.2 | Very low | 242 Ų | 242 | 162.3 Ų | 162.3 | 95% | 0.949 | 81% | 0.811 | S | S | * | * | trans | -51.5 | 148.8 | 175.8 | -93.7 | -112 | 0 | 0 | 0 | 114.7 | ||||
| 134 | G | 38.2 | Very low | 45.7 | Very low | 76 Ų | 76 | 159.5 Ų | 159.5 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | 138.8 | 127.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 135 | F | 41.7 | Very low | 45.8 | Very low | 218 Ų | 218 | 163.9 Ų | 163.9 | 96% | 0.956 | 83% | 0.825 | S | S | * | * | trans | -57.6 | 142.1 | 175.4 | -79.8 | -106.3 | 0 | 0 | 0 | 114.4 | ||||
| 136 | A | 43.4 | Very low | 46.4 | Very low | 98 Ų | 98 | 164.3 Ų | 164.3 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | 166.6 | 137.8 | 119.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 137 | Q | 47.8 | Very low | 46.1 | Very low | 183 Ų | 183 | 168.3 Ų | 168.3 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | trans | -65.3 | 136.6 | 172.3 | -74.4 | -83.7 | 17.5 | 0 | 0 | 111.7 | ||||
| 138 | Q | 38 | Very low | 46.3 | Very low | 182 Ų | 182 | 168.4 Ų | 168.4 | 85% | 0.85 | 84% | 0.841 | S | S | * | * | trans | -147.7 | 120.8 | 156.8 | -114 | 178.3 | -15 | 0 | 0 | 111.3 | ||||
| 139 | Y | 48.8 | Very low | 46.1 | Very low | 226 Ų | 226 | 163 Ų | 163 | 89% | 0.886 | 84% | 0.837 | S | S | * | * | trans | -63.6 | 123.2 | 175.5 | -131.7 | -101 | 0 | 0 | 0 | 109.8 | ||||
| 140 | V | 42.6 | Very low | 45.7 | Very low | 130 Ų | 130 | 167.3 Ų | 167.3 | 79% | 0.788 | 85% | 0.848 | S | S | * | * | trans | -127.3 | 126.1 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 141 | Y | 42.7 | Very low | 46 | Very low | 195 Ų | 195 | 166 Ų | 166 | 77% | 0.765 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 152 | -178.7 | -95.1 | -97.8 | 0 | 0 | 0 | 113.8 | Q143 | Y141-Q143 PolarHBondContact O-N 2.9Š|
| 142 | P | 52 | Low | 45.9 | Very low | 121 Ų | 121 | 162.3 Ų | 162.3 | 79% | 0.786 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 123.1 | 169.6 | 29.3 | -31.6 | 0 | 0 | 0 | 111 | ||
| 143 | Q | 48.2 | Very low | 45.9 | Very low | 164 Ų | 164 | 161.6 Ų | 161.6 | 77% | 0.766 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 128.1 | 171.6 | -69.6 | -74.9 | -76.8 | 0 | 0 | 110 | Y141 | Y141-Q143 PolarHBondContact O-N 2.9Š|
| 144 | A | 52.9 | Low | 46.1 | Very low | 98 Ų | 98 | 155.5 Ų | 155.5 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 124.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | L146 | A144-L146 PolarHBondContact O-N 2.98Š|
| 145 | F | 50.6 | Low | 46.5 | Very low | 203 Ų | 203 | 160.1 Ų | 160.1 | 89% | 0.89 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 116.8 | 171.7 | -83.5 | -84.6 | 0 | 0 | 0 | 110.4 | ||
| 146 | L | 53.8 | Low | 46.7 | Very low | 168 Ų | 168 | 157.9 Ų | 157.9 | 88% | 0.88 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -61 | 134.8 | 166.1 | -88.7 | 146.3 | 0 | 0 | 0 | 111.3 | A144 | A144-L146 PolarHBondContact O-N 2.98Š|
| 147 | Q | 49.1 | Very low | 46.7 | Very low | 178 Ų | 178 | 158.5 Ų | 158.5 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 136.1 | 169 | -65 | 178.6 | -20.9 | 0 | 0 | 110.2 | ||
| 148 | P | 50.3 | Low | 46.9 | Very low | 131 Ų | 131 | 155.3 Ų | 155.3 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 125.2 | 167.9 | 29 | -27.8 | 0 | 0 | 0 | 111.4 | ||
| 149 | S | 49.1 | Very low | 47.1 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 137.5 | 179.9 | -46 | 0 | 0 | 0 | 0 | 113.4 | L151 | S149-L151 PolarHBondContact O-N 3.07Š|
| 150 | L | 45.6 | Very low | 46.9 | Very low | 174 Ų | 174 | 147 Ų | 147 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 118.3 | 164.8 | -119.2 | 104.3 | 0 | 0 | 0 | 109.3 | ||
| 151 | L | 48.1 | Very low | 46.8 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 117.6 | 164.3 | -77.8 | 176.6 | 0 | 0 | 0 | 109.4 | S149 | S149-L151 PolarHBondContact O-N 3.07Š|
| 152 | L | 44.5 | Very low | 46.9 | Very low | 160 Ų | 160 | 142 Ų | 142 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -98.4 | 114.5 | 169 | -178.7 | 68.8 | 0 | 0 | 0 | 108.1 | ||||
| 153 | Q | 38 | Very low | 46.5 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | -108.6 | 106 | 171.7 | -91.9 | 175.5 | -67 | 0 | 0 | 110.3 | ||||
| 154 | S | 43.8 | Very low | 46.1 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -93.4 | 122.2 | 162.5 | 49.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 155 | H | 45.8 | Very low | 45.4 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | trans | -131.9 | 135.2 | 163.9 | 63.5 | -106.8 | 0 | 0 | 0 | 111.2 | ||||
| 156 | L | 45.8 | Very low | 45.6 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | trans | -87.2 | 158.5 | -179.7 | -68.3 | 152.1 | 0 | 0 | 0 | 110.8 | ||||
| 157 | S | 43.4 | Very low | 44.7 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -46.7 | 166.3 | -178.4 | -28.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 158 | P | 51.9 | Low | 44.4 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | -157.8 | 161.9 | 76.8 | 37.5 | -14.1 | 0 | 0 | 0 | 119.8 | |||||
| 159 | T | 42 | Very low | 44 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | 40.6 | 127.9 | 141.7 | -35.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 160 | A | 44.3 | Very low | 43.7 | Very low | 99 Ų | 99 | 146 Ų | 146 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -167.4 | 157 | 135.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 161 | T | 41.5 | Very low | 43.8 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -99.6 | 146 | -150.3 | -6.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 162 | A | 44.7 | Very low | 43.8 | Very low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | 37 | 129.5 | 139.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 163 | L | 42.5 | Very low | 43.8 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -154.6 | 126.5 | 130.8 | -75.3 | -171.5 | 0 | 0 | 0 | 112.7 | ||||
| 164 | T | 39.9 | Very low | 44.3 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 72.1 | 95.4 | 141.5 | -157 | 0 | 0 | 0 | 0 | 124 | ||||
| 165 | S | 39.3 | Very low | 44.4 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | 18.5 | 171.2 | 126.2 | -68.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 166 | P | 54 | Low | 44.3 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -142 | 162 | -32.5 | 36.3 | -18.2 | 0 | 0 | 0 | 114.9 | ||||
| 167 | Y | 34.4 | Very low | 43.9 | Very low | 211 Ų | 211 | 130.6 Ų | 130.6 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -171.7 | 139.3 | 131 | -158.7 | -106.8 | 0 | 0 | 0 | 112.3 | ||||
| 168 | L | 44.5 | Very low | 43.7 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | trans | -43 | 142.2 | -178.8 | -86.5 | 85.4 | 0 | 0 | 0 | 115.7 | ||||
| 169 | E | 41.2 | Very low | 43 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | 64.4 | 91.9 | 61.3 | -159.2 | 109.1 | -171.4 | 0 | 0 | 113.2 | |||||
| 170 | Y | 43.2 | Very low | 43.8 | Very low | 238 Ų | 238 | 133.7 Ų | 133.7 | 93% | 0.933 | 77% | 0.766 | S | S | * | * | trans | -112 | 109.6 | 152.5 | -166.8 | -96.4 | 0 | 0 | 0 | 108.2 | ||||
| 171 | S | 46.8 | Very low | 43.3 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 52% | 0.524 | 77% | 0.772 | S | S | . | * | trans | -58.9 | 142.1 | -164.8 | -59.5 | 0 | 0 | 0 | 0 | 115.8 | A173 | S171-A173 PolarHBondContact O-N 3.01Š| ||
| 172 | S | 48.8 | Very low | 43.3 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | -8.6 | 114.7 | 124.6 | 56 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 173 | A | 43.4 | Very low | 44 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -150.6 | 97.6 | 141.1 | 0 | 0 | 0 | 0 | 0 | 104.3 | S171 | S171-A173 PolarHBondContact O-N 3.01Š| ||
| 174 | Y | 50.1 | Low | 43.5 | Very low | 228 Ų | 228 | 137.7 Ų | 137.7 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | -162.2 | 100.4 | 90.9 | -149.6 | -100.6 | 0 | 0 | 0 | 108.5 | |||||
| 175 | S | 45.1 | Very low | 43.6 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -104.9 | 145.1 | 161.8 | -168.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 176 | S | 43.1 | Very low | 43.6 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 103.7 | 112.2 | 152.5 | -46.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 177 | A | 37.7 | Very low | 43.1 | Very low | 87 Ų | 87 | 140.7 Ų | 140.7 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | -162.5 | 123.4 | 107.3 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 178 | Y | 38.7 | Very low | 43 | Very low | 229 Ų | 229 | 138.3 Ų | 138.3 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | trans | 65.5 | 96.2 | 143.5 | -80.8 | -99 | 0 | 0 | 0 | 121.1 | ||||
| 179 | S | 37.9 | Very low | 43.1 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | 16.9 | 167 | 116.7 | -133.4 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 180 | P | 58.3 | Low | 43.4 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 60% | 0.597 | 78% | 0.779 | S | S | * | * | -130.6 | 153.7 | -61 | 36.1 | -21.1 | 0 | 0 | 0 | 111.1 | |||||
| 181 | Y | 34.7 | Very low | 43.7 | Very low | 239 Ų | 239 | 137.5 Ų | 137.5 | 94% | 0.937 | 77% | 0.774 | S | S | * | * | trans | -170.2 | 128.4 | 146.5 | -89.1 | -66.5 | 0 | 0 | 0 | 108.8 | ||||
| 182 | A | 41.6 | Very low | 43.8 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -120.7 | 174.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 183 | P | 58.2 | Low | 44 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | cis | -133 | 171.8 | -11.1 | 35.9 | -18.6 | 0 | 0 | 0 | 112.8 | ||||
| 184 | S | 33.8 | Very low | 44.3 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | 160.2 | 137.9 | 129.7 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 185 | G | 40.6 | Very low | 44.3 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 138.1 | 77.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 186 | L | 39.9 | Very low | 44.1 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -41 | 132.4 | 172.4 | -59.9 | 158.1 | 0 | 0 | 0 | 114.7 | ||||
| 187 | E | 42.7 | Very low | 44.8 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | -170.1 | 113.2 | 119.1 | -112.3 | -77.8 | 78 | 0 | 0 | 109.8 | |||||
| 188 | Q | 33.7 | Very low | 44.9 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -113 | 105.6 | -170.4 | 175.4 | 163 | -25.8 | 0 | 0 | 107.5 | ||||
| 189 | Y | 44.9 | Very low | 44.9 | Very low | 218 Ų | 218 | 133.9 Ų | 133.9 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -63.6 | 136.8 | 152.8 | -79.8 | -78.8 | 0 | 0 | 0 | 108 | ||||
| 190 | P | 47.3 | Very low | 44.9 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | -145.8 | 147.1 | 112.8 | 26 | -4.7 | 0 | 0 | 0 | 114.7 | |||||
| 191 | F | 50 | Low | 44.2 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -31.1 | 134.5 | 155.4 | -169.2 | -93.3 | 0 | 0 | 0 | 114.9 | ||||
| 192 | V | 48.4 | Very low | 44.7 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -143.5 | 154.6 | 161.9 | -78.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 193 | P | 53.5 | Low | 44.5 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | trans | -92.9 | 171.4 | -158 | 37.3 | -33.9 | 0 | 0 | 0 | 114.7 | ||||
| 194 | S | 50.1 | Low | 44 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -52.8 | 148.1 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 195 | P | 49.7 | Very low | 44.5 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -129.6 | 140.2 | 143.8 | 33.8 | -21.1 | 0 | 0 | 0 | 113.5 | ||||
| 196 | S | 42.3 | Very low | 44.8 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -111.4 | 167.3 | 150.6 | -42.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 197 | P | 57.1 | Low | 44.8 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | cis | -141.1 | -178 | 10.9 | 38 | -16.4 | 0 | 0 | 0 | 116.1 | ||||
| 198 | S | 40.6 | Very low | 45.4 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | 101.5 | 132.5 | 143.9 | 82.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 199 | T | 37.4 | Very low | 45.8 | Very low | 138 Ų | 138 | 137 Ų | 137 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | 97.9 | 120.9 | 143.2 | -43 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 200 | G | 38 | Very low | 46.2 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | 142.8 | 86.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 201 | Y | 43 | Very low | 46.6 | Very low | 230 Ų | 230 | 133.7 Ų | 133.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | 12 | 122 | 149.3 | -72 | -93.5 | 0 | 0 | 0 | 121.1 | ||||
| 202 | L | 46.2 | Very low | 46.4 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 120.1 | 158.1 | -121.5 | 80.5 | 0 | 0 | 0 | 109.7 | ||
| 203 | S | 38.1 | Very low | 46.8 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 134.1 | 175.4 | -162.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 204 | Y | 46.6 | Very low | 46.3 | Very low | 230 Ų | 230 | 129.5 Ų | 129.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79 | 137 | 170.2 | -79.2 | -95.3 | 0 | 0 | 0 | 110.1 | ||
| 205 | S | 43.8 | Very low | 46.2 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -137.1 | 122.8 | 157.5 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 206 | F | 47.5 | Very low | 45.8 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -97.1 | 149.1 | -178.9 | -155.4 | -94.5 | 0 | 0 | 0 | 108.4 | ||||
| 207 | S | 39.2 | Very low | 46 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -151.9 | 148.8 | 158.8 | -83.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 208 | P | 56.7 | Low | 46.3 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -124.4 | 165.6 | -147.1 | 32.3 | -12.4 | 0 | 0 | 0 | 116.3 | ||||
| 209 | G | 41.2 | Very low | 47 | Very low | 60 Ų | 60 | 131.3 Ų | 131.3 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | trans | 100.6 | 99.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 210 | T | 53.8 | Low | 47.7 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | 83.3 | 157.2 | 83.2 | 50.2 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 211 | P | 56.2 | Low | 48.5 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | cis | -143.4 | 156.1 | -29.8 | 37.9 | -18.6 | 0 | 0 | 0 | 117.4 | ||||
| 212 | T | 44.8 | Very low | 49.2 | Very low | 131 Ų | 131 | 129 Ų | 129 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 53.3 | 168.4 | 142.7 | 51.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 213 | P | 57.7 | Low | 49.1 | Very low | 119 Ų | 119 | 125 Ų | 125 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | -137 | 177.6 | -33.1 | 34.6 | -14.9 | 0 | 0 | 0 | 114.7 | ||||
| 214 | A | 42.1 | Very low | 49.6 | Very low | 87 Ų | 87 | 124 Ų | 124 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | 133.1 | 112.4 | 136 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 215 | L | 48.6 | Very low | 49.8 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | 43.3 | 121.7 | 130.5 | -56.2 | 167.3 | 0 | 0 | 0 | 119.8 | ||||
| 216 | T | 42.1 | Very low | 50.2 | Low | 144 Ų | 144 | 122.2 Ų | 122.2 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | 170.9 | 146 | 110.8 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 217 | A | 45.2 | Very low | 51.2 | Low | 83 Ų | 83 | 118.7 Ų | 118.7 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | trans | -45.2 | 166.1 | -171 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 218 | P | 62.7 | Low | 52 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -83.8 | 179.6 | 156.3 | 39.5 | -33 | 0 | 0 | 0 | 110.2 | ||||
| 219 | P | 56.5 | Low | 51.4 | Low | 110 Ų | 110 | 121.7 Ų | 121.7 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | cis | -143.7 | -171 | 20.6 | 35.1 | -9.9 | 0 | 0 | 0 | 115.4 | ||||
| 220 | T | 51 | Low | 51.4 | Low | 134 Ų | 134 | 123.5 Ų | 123.5 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 129.1 | 141.7 | 145.9 | 52.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 221 | P | 55.4 | Low | 50.9 | Low | 114 Ų | 114 | 120.7 Ų | 120.7 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 161.3 | 178.3 | 38.8 | -33.4 | 0 | 0 | 0 | 112.4 | ||
| 222 | P | 57.2 | Low | 50.3 | Low | 135 Ų | 135 | 123.6 Ų | 123.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 123.7 | 171.7 | 31.4 | -29.4 | 0 | 0 | 0 | 112.1 | ||
| 223 | A | 45.1 | Very low | 50.4 | Low | 94 Ų | 94 | 124 Ų | 124 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 137 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 224 | A | 48.8 | Very low | 50 | Low | 93 Ų | 93 | 123 Ų | 123 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 42 | 125.9 | 145.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 225 | I | 50 | Low | 50.4 | Low | 153 Ų | 153 | 125.4 Ų | 125.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -136.6 | 103.1 | 158.2 | -68.2 | -175.7 | 0 | 0 | 0 | 109.4 | ||||
| 226 | H | 53.4 | Low | 50.1 | Low | 165 Ų | 165 | 122.5 Ų | 122.5 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | 5.3 | 169.4 | 154.8 | 9.7 | -120.8 | 0 | 0 | 0 | 126.6 | ||||
| 227 | P | 66.8 | Low | 50.2 | Low | 117 Ų | 117 | 119.7 Ų | 119.7 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -102 | -172.4 | -163 | 44 | -36.3 | 0 | 0 | 0 | 115.7 | ||||
| 228 | P | 56.2 | Low | 50.7 | Low | 122 Ų | 122 | 121.8 Ų | 121.8 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | -146.5 | 137.8 | 100.7 | 35.3 | -17.3 | 0 | 0 | 0 | 114.9 | |||||
| 229 | L | 44.6 | Very low | 50.7 | Low | 171 Ų | 171 | 121.8 Ų | 121.8 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | 69.6 | 106.6 | 87.9 | -158.7 | 86.2 | 0 | 0 | 0 | 117.6 | |||||
| 230 | A | 41.8 | Very low | 50.8 | Low | 98 Ų | 98 | 122.6 Ų | 122.6 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 157.7 | 154.6 | 135.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 231 | A | 43.1 | Very low | 50.7 | Low | 81 Ų | 81 | 120.5 Ų | 120.5 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | cis | -173.9 | 147.9 | -36.9 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 232 | L | 44.4 | Very low | 50.3 | Low | 164 Ų | 164 | 124.8 Ų | 124.8 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | 72.4 | 125.5 | 165.3 | -56.6 | 146.7 | 0 | 0 | 0 | 114.8 | ||||
| 233 | T | 46.8 | Very low | 50 | Low | 138 Ų | 138 | 125.4 Ų | 125.4 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | -159 | 138.1 | 59 | -9.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 234 | A | 47.7 | Very low | 50.5 | Low | 98 Ų | 98 | 128.5 Ų | 128.5 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -81.8 | 135.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 235 | V | 52.1 | Low | 50.8 | Low | 138 Ų | 138 | 133.5 Ų | 133.5 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -156.4 | 103.5 | 156.4 | 122.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 236 | S | 41.1 | Very low | 51.3 | Low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | 80.7 | 106.8 | 92.8 | -171.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 237 | A | 43.7 | Very low | 51 | Low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 49.1 | 121 | 138.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 238 | T | 57.3 | Low | 50.6 | Low | 127 Ų | 127 | 133.3 Ų | 133.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | 144 | 123.9 | 112.6 | -39 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 239 | P | 62.9 | Low | 50.9 | Low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -90.1 | 131.3 | 163.5 | 32.2 | -28.5 | 0 | 0 | 0 | 110.8 | A241 | P239-A241 PolarHBondContact O-N 3.47Š| ||
| 240 | P | 57.9 | Low | 51.9 | Low | 127 Ų | 127 | 132.4 Ų | 132.4 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -82.9 | 117.9 | 171.2 | 29.9 | -29 | 0 | 0 | 0 | 111.6 | ||||
| 241 | A | 49.1 | Very low | 52.7 | Low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | 58.2 | 101.3 | 132.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | P239 L243 | P239-A241 PolarHBondContact O-N 3.47Å; A241-L243 PolarHBondContact O-N 3.16Å | ||
| 242 | F | 46.3 | Very low | 53.6 | Low | 204 Ų | 204 | 141.2 Ų | 141.2 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -37.6 | 115.4 | 142.7 | -104.9 | -110.2 | 0 | 0 | 0 | 112 | H244 | F242-H244 PolarHBondContact O-N 3.15Å; F242-H244 VanDerWaalsContact O-N 3.08Å | ||
| 243 | L | 52 | Low | 54.4 | Low | 147 Ų | 147 | 140.4 Ų | 140.4 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -73.9 | 93.6 | 161.4 | -101.5 | 155.6 | 0 | 0 | 0 | 108.5 | A241 Y245 | A241-L243 PolarHBondContact O-N 3.16Å; L243-Y245 HydrophobicContact CB-CE2 4.5Å; L243-Y245 HydrophobicContact CD2-CE2 4.31Å; L243-Y245 PolarHBondContact O-N 3.47Å | ||
| 244 | H | 54.6 | Low | 54.9 | Low | 160 Ų | 160 | 146.9 Ų | 146.9 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -69.1 | 99.4 | 167.3 | -173.7 | 89.5 | 0 | 0 | 0 | 108.8 | F242 P246 | F242-H244 PolarHBondContact O-N 3.15Å; F242-H244 VanDerWaalsContact O-N 3.08Å; H244-P246 VanDerWaalsContact O-CD 3.31Å; H244-P246 WeakPolarHBondContact O-CD 3.41Å | ||
| 245 | Y | 55.1 | Low | 55.2 | Low | 198 Ų | 198 | 149.3 Ų | 149.3 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -85.3 | 113.2 | 165.6 | -88.8 | -89.5 | 0 | 0 | 0 | 108.9 | L243 L247 | L243-Y245 HydrophobicContact CB-CE2 4.5Å; L243-Y245 HydrophobicContact CD2-CE2 4.31Å; L243-Y245 PolarHBondContact O-N 3.47Å; Y245-L247 PolarHBondContact O-N 3.44Å | ||
| 246 | P | 60.3 | Low | 55.4 | Low | 95 Ų | 95 | 149.9 Ų | 149.9 | 62% | 0.617 | 80% | 0.795 | S | S | * | * | trans | -72.6 | 124.7 | 169.2 | 27.9 | -30.6 | 0 | 0 | 0 | 109.9 | H244 H248 | H244-P246 VanDerWaalsContact O-CD 3.31Å; H244-P246 WeakPolarHBondContact O-CD 3.41Å; P246-H248 PolarHBondContact O-N 3.48Å; P246-H248 VanDerWaalsContact O-N 3.11Å | ||
| 247 | L | 47.5 | Very low | 56.2 | Low | 151 Ų | 151 | 152.5 Ų | 152.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -57.7 | 104.2 | 171.9 | -166.6 | 161.2 | 0 | 0 | 0 | 109.1 | Y245 Q249 | Y245-L247 PolarHBondContact O-N 3.44Å; L247-Q249 PolarHBondContact O-N 3.39Å | ||
| 248 | H | 58.5 | Low | 56.9 | Low | 184 Ų | 184 | 156.4 Ų | 156.4 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | trans | -74.7 | 108.2 | 171 | -129.1 | 77.1 | 0 | 0 | 0 | 108.1 | P246 | P246-H248 PolarHBondContact O-N 3.48Å; P246-H248 VanDerWaalsContact O-N 3.11Å | ||
| 249 | Q | 62.9 | Low | 56.9 | Low | 156 Ų | 156 | 158.3 Ų | 158.3 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | trans | -76.8 | 135.8 | 175.4 | -167.4 | 155.5 | 5.1 | 0 | 0 | 109.2 | L247 D251 | L247-Q249 PolarHBondContact O-N 3.39Å; Q249-D251 PolarHBondContact O-N 3.49Å | ||
| 250 | P | 64.9 | Low | 56.5 | Low | 119 Ų | 119 | 161 Ų | 161 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -74.2 | 110 | 177 | 28.6 | -31.1 | 0 | 0 | 0 | 109.1 | ||||
| 251 | D | 58.1 | Low | 56.4 | Low | 157 Ų | 157 | 163.4 Ų | 163.4 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -65 | 133.7 | 169.7 | -167.2 | -104.4 | 0 | 0 | 0 | 109.8 | Q249 | Q249-D251 PolarHBondContact O-N 3.49Š| ||
| 252 | R | 61.8 | Low | 57 | Low | 207 Ų | 207 | 169.1 Ų | 169.1 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | -105.9 | 129.5 | -172.6 | -136.8 | -161 | 173.4 | -163.2 | -4.1 | 107.6 | ||||
| 253 | M | 62.2 | Low | 57.9 | Low | 146 Ų | 146 | 166.2 Ų | 166.2 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | trans | 82.8 | 109.2 | 156.7 | -47.4 | -166.6 | -68.6 | 0 | 0 | 117.8 | ||||
| 254 | Q | 56.7 | Low | 58.4 | Low | 274 Ų | 274 | 167.9 Ų | 167.9 | 100% | 1.28 | 81% | 0.809 | S | S | * | * | -167.7 | 0 | 106.3 | -102.3 | 168 | 75.1 | 0 | 0 | 111.1 |
Retrieved 254 of 254 residues in 45 ms
(Link to these results)