| 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 | 41.6 | Very low | 45.1 | Very low | 217 Ų | 217 | 148.5 Ų | 148.5 | 100% | 1.069 | 79% | 0.789 | S | S | * | * | 0 | 78.5 | 0 | -72 | 140.8 | 173.5 | 0 | 0 | 104.8 | |||||
| 2 | E | 41.8 | Very low | 45.5 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | 79.4 | 111.5 | 113.6 | -64.5 | 150.4 | 106.2 | 0 | 0 | 107.5 | |||||
| 3 | D | 43 | Very low | 45.5 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | cis | -167.5 | 129.5 | 41.8 | -164.9 | -99.8 | 0 | 0 | 0 | 108.4 | P5 | D3-P5 WeakPolarHBondContact OD1-CD 3.21Š| ||
| 4 | S | 53.5 | Low | 44.9 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -103.6 | 139.4 | 147.4 | -86.9 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 5 | P | 53.1 | Low | 44.1 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 58% | 0.584 | 80% | 0.796 | S | S | * | * | -153 | 157.2 | 89.7 | 40.6 | -22.6 | 0 | 0 | 0 | 116.7 | D3 | D3-P5 WeakPolarHBondContact OD1-CD 3.21Š| |||
| 6 | T | 47.6 | Very low | 43.7 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | trans | 61.8 | 93.6 | 138.8 | 52.6 | 0 | 0 | 0 | 0 | 118.1 | V8 | T6-V8 PolarHBondContact O-N 2.9Š| ||
| 7 | M | 39.3 | Very low | 43.2 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 97% | 0.966 | 80% | 0.797 | S | S | * | * | trans | -56.3 | 89.4 | 144.8 | -179.1 | 170.5 | 60.7 | 0 | 0 | 109 | ||||
| 8 | V | 47.3 | Very low | 42.5 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | trans | -75 | 133.1 | 174.3 | 176.1 | 0 | 0 | 0 | 0 | 108.5 | T6 | T6-V8 PolarHBondContact O-N 2.9Š| ||
| 9 | R | 44.1 | Very low | 42.1 | Very low | 210 Ų | 210 | 145.9 Ų | 145.9 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -27.4 | 126.9 | 175.9 | -75.1 | 167.2 | 136.2 | 82.9 | -0.8 | 113.7 | D11 | R9-D11 VanDerWaalsContact C-N 3.26Å; R9-D11 PolarHBondContact O-N 3.03Å | ||
| 10 | V | 45.3 | Very low | 42.1 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | trans | -69.3 | 93.2 | 158.3 | 177.1 | 0 | 0 | 0 | 0 | 106.6 | S12 | V10-S12 PolarHBondContact O-N 3.35Š| ||
| 11 | D | 39.7 | Very low | 41.9 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | trans | -57.6 | 128.7 | 170.2 | -73.3 | -63.9 | 0 | 0 | 0 | 109.6 | R9 P13 | R9-D11 VanDerWaalsContact C-N 3.26Å; R9-D11 PolarHBondContact O-N 3.03Å; D11-P13 WeakPolarHBondContact O-CD 3.35Å | ||
| 12 | S | 49.6 | Very low | 41.6 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -83.5 | 121.1 | 166.3 | -54.5 | 0 | 0 | 0 | 0 | 108.1 | V10 | V10-S12 PolarHBondContact O-N 3.35Š| ||
| 13 | P | 45.9 | Very low | 41.3 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -106.1 | 102.2 | 161.3 | 20.5 | -0.8 | 0 | 0 | 0 | 108.3 | D11 M15 | D11-P13 WeakPolarHBondContact O-CD 3.35Å; P13-M15 PolarHBondContact O-N 3.43Å | ||
| 14 | T | 36.7 | Very low | 41.4 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | 18.1 | 98.1 | 137.3 | -38.9 | 0 | 0 | 0 | 0 | 115.5 | V16 | T14-V16 HydrophobicContact CG2-CG2 3.63Å; T14-V16 PolarHBondContact O-N 2.96Å | ||
| 15 | M | 33.3 | Very low | 40.3 | Very low | 202 Ų | 202 | 138.8 Ų | 138.8 | 100% | 0.995 | 77% | 0.771 | S | S | * | * | trans | -65.2 | 100.8 | 161.7 | -89.7 | -171.8 | 161.8 | 0 | 0 | 109.1 | P13 | P13-M15 PolarHBondContact O-N 3.43Š| ||
| 16 | V | 38.1 | Very low | 40.1 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | -105.2 | 122.4 | 166.1 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | T14 | T14-V16 HydrophobicContact CG2-CG2 3.63Å; T14-V16 PolarHBondContact O-N 2.96Å | ||
| 17 | R | 34.1 | Very low | 39.6 | Very low | 239 Ų | 239 | 141.4 Ų | 141.4 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | 94.3 | 135.1 | 144.8 | -165.7 | 163.5 | -168.3 | -162.6 | 0.1 | 120.4 | ||||
| 18 | G | 32 | Very low | 40.2 | Very low | 64 Ų | 64 | 144.5 Ų | 144.5 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | 128.2 | 72.8 | 163 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 19 | E | 33.4 | Very low | 40.2 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | 39.2 | 121.4 | 85.2 | -67.8 | -96.4 | 105 | 0 | 0 | 113.6 | |||||
| 20 | N | 42 | Very low | 40.5 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 76.8 | 85.3 | 156.6 | -78.7 | -82.7 | 0 | 0 | 0 | 119.3 | ||||
| 21 | Q | 39.3 | Very low | 40.5 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -147.2 | 79.3 | 144.3 | -74.4 | -75.8 | 62.8 | 0 | 0 | 109.5 | ||||
| 22 | V | 34.3 | Very low | 40.9 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | -113.8 | 103.4 | 153.9 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 23 | S | 34.9 | Very low | 40.9 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -34.4 | 137.2 | 176.3 | -172.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 24 | P | 46.8 | Very low | 41.2 | Very low | 113 Ų | 113 | 146 Ų | 146 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -87 | 124.5 | 167.6 | 33.2 | -25.1 | 0 | 0 | 0 | 108.9 | ||||
| 25 | C | 30.1 | Very low | 41.9 | Very low | 110 Ų | 110 | 144 Ų | 144 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -168.7 | 112.8 | 146.3 | -99.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 26 | Q | 48.9 | Very low | 42.8 | Very low | 191 Ų | 191 | 137 Ų | 137 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | 56.7 | 101.7 | 127.1 | -79.7 | -171.5 | -57.9 | 0 | 0 | 119.2 | |||||
| 27 | G | 36.8 | Very low | 43.4 | Very low | 66 Ų | 66 | 140.2 Ų | 140.2 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | trans | -142.3 | 97.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | R29 | G27-R29 PolarHBondContact O-N 3.08Š| ||
| 28 | R | 51.8 | Low | 44.3 | Very low | 261 Ų | 261 | 132.7 Ų | 132.7 | 99% | 0.985 | 72% | 0.72 | S | S | * | * | trans | -48.4 | 104 | 161.8 | -96 | -179.6 | 171.6 | -168.7 | -0.5 | 108.5 | ||||
| 29 | R | 48 | Very low | 45 | Very low | 217 Ų | 217 | 133.9 Ų | 133.9 | 82% | 0.819 | 72% | 0.715 | S | S | * | * | trans | -134.3 | 125.9 | 154.7 | -74.3 | -169.3 | -178.6 | -175.7 | 1.5 | 107.5 | G27 F31 | G27-R29 PolarHBondContact O-N 3.08Å; R29-F31 PolarHBondContact O-N 3.04Å | ||
| 30 | C | 50 | Low | 45.7 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 89% | 0.885 | 70% | 0.703 | S | S | * | * | trans | -52.5 | 98.6 | 173.8 | -171.1 | 0 | 0 | 0 | 0 | 108.2 | P32 | C30-P32 WeakPolarHBondContact O-CD 3.14Š| ||
| 31 | F | 44 | Very low | 46.4 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 67% | 0.671 | 68% | 0.684 | S | S | * | * | trans | -64.5 | 120.9 | 172.8 | -84.4 | -83.9 | 0 | 0 | 0 | 107.2 | R29 K33 L35 | R29-F31 PolarHBondContact O-N 3.04Å; F31-K33 PolarHBondContact O-N 3.17Å; F31-L35 HydrophobicContact CD1-CB 4.46Å; F31-L35 HydrophobicContact CD1-CD1 4.26Å; F31-L35 HydrophobicContact CD1-CD2 3.77Å; F31-L35 HydrophobicContact CD1-CG 4.38Å; F31-L35 HydrophobicContact CE1-CD2 3.94Å | ||
| 32 | P | 48.5 | Very low | 46.8 | Very low | 81 Ų | 81 | 120 Ų | 120 | 53% | 0.526 | 66% | 0.663 | S | S | . | * | trans | -60.7 | 139.1 | 177.5 | 24.5 | -31.4 | 0 | 0 | 0 | 108.4 | C30 A34 L35 | C30-P32 WeakPolarHBondContact O-CD 3.14Å; P32-A34 HydrophobicContact CB-CB 4.41Å; P32-A34 PolarHBondContact O-N 3.4Å; P32-L35 PolarHBondContact O-N 3.37Å | ||
| 33 | K | 50.2 | Low | 47.6 | Very low | 202 Ų | 202 | 121.3 Ų | 121.3 | 88% | 0.878 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -46.6 | -22.8 | 175 | -87.1 | -178.4 | 160.4 | 84 | 0 | 113.6 | F31 L35 G36 Y37 | F31-K33 PolarHBondContact O-N 3.17Å; K33-L35 VanDerWaalsContact C-N 3.29Å; K33-L35 PolarHBondContact O-N 3.39Å; K33-G36 PolarHBondContact O-N 3.41Å; K33-Y37 PolarHBondContact O-N 3.26Å |
| 34 | A | 51.2 | Low | 48.4 | Very low | 63 Ų | 63 | 123.7 Ų | 123.7 | 52% | 0.521 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -56.3 | -35.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P32 Y37 V38 | P32-A34 HydrophobicContact CB-CB 4.41Å; P32-A34 PolarHBondContact O-N 3.4Å; A34-Y37 PolarHBondContact O-N 3.19Å; A34-V38 VanDerWaalsContact O-CG2 3.28Å; A34-V38 WeakPolarHBondContact O-CG2 3.37Å; A34-V38 PolarHBondContact O-N 3.31Å |
| 35 | L | 51.8 | Low | 48.9 | Very low | 77 Ų | 77 | 122.5 Ų | 122.5 | 40% | 0.403 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.4 | -36.9 | 179.8 | -136.6 | 109.1 | 0 | 0 | 0 | 111.8 | F31 P32 K33 Y37 V38 T39 | F31-L35 HydrophobicContact CD1-CB 4.46Å; F31-L35 HydrophobicContact CD1-CD1 4.26Å; F31-L35 HydrophobicContact CD1-CD2 3.77Å; F31-L35 HydrophobicContact CD1-CG 4.38Å; F31-L35 HydrophobicContact CE1-CD2 3.94Å; P32-L35 PolarHBondContact O-N 3.37Å; K33-L35 VanDerWaalsContact C-N 3.29Å; K33-L35 PolarHBondContact O-N 3.39Å; L35-Y37 VanDerWaalsContact C-N 3.35Å; L35-V38 PolarHBondContact O-N 3.21Å; L35-T39 PolarHBondContact O-N 3.08Å; L35-T39 PolarHBondContact O-OG1 3.41Å; L35-T39 VanDerWaalsContact O-OG1 3.06Å |
| 36 | G | 52.8 | Low | 50.1 | Low | 53 Ų | 53 | 119.8 Ų | 119.8 | 55% | 0.546 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68 | -33.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K33 G40 | K33-G36 PolarHBondContact O-N 3.41Å; G36-G40 PolarHBondContact O-N 3.17Å; G36-G40 VanDerWaalsContact O-N 3.08Å |
| 37 | Y | 51.6 | Low | 50.4 | Low | 185 Ų | 185 | 115.9 Ų | 115.9 | 73% | 0.725 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.1 | -40.6 | 172.9 | -164.5 | -96.9 | 0 | 0 | 0 | 111.5 | K33 A34 L35 G40 D41 | K33-Y37 PolarHBondContact O-N 3.26Å; A34-Y37 PolarHBondContact O-N 3.19Å; L35-Y37 VanDerWaalsContact C-N 3.35Å; Y37-G40 PolarHBondContact O-N 3.42Å; Y37-D41 PolarHBondContact O-N 3.29Å; Y37-D41 VanDerWaalsContact O-N 3.17Å |
| 38 | V | 51.2 | Low | 51.2 | Low | 81 Ų | 81 | 120.1 Ų | 120.1 | 49% | 0.491 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.6 | -39.5 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 112 | A34 L35 G40 D41 M42 | A34-V38 VanDerWaalsContact O-CG2 3.28Å; A34-V38 WeakPolarHBondContact O-CG2 3.37Å; A34-V38 PolarHBondContact O-N 3.31Å; L35-V38 PolarHBondContact O-N 3.21Å; V38-G40 VanDerWaalsContact C-N 3.27Å; V38-G40 PolarHBondContact O-N 2.97Å; V38-D41 PolarHBondContact O-N 3.35Å; V38-M42 HydrophobicContact CG1-CE 4.11Å; V38-M42 WeakPolarHBondContact O-CG 3.31Å |
| 39 | T | 47.3 | Very low | 51.3 | Low | 89 Ų | 89 | 111.4 Ų | 111.4 | 55% | 0.546 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.3 | -31.5 | 172.7 | -59 | 0 | 0 | 0 | 0 | 112.3 | L35 | L35-T39 PolarHBondContact O-N 3.08Å; L35-T39 PolarHBondContact O-OG1 3.41Å; L35-T39 VanDerWaalsContact O-OG1 3.06Å |
| 40 | G | 49 | Very low | 51.3 | Low | 51 Ų | 51 | 108.7 Ų | 108.7 | 53% | 0.526 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.1 | -35.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | G36 Y37 V38 M42 | G36-G40 PolarHBondContact O-N 3.17Å; G36-G40 VanDerWaalsContact O-N 3.08Å; Y37-G40 PolarHBondContact O-N 3.42Å; V38-G40 VanDerWaalsContact C-N 3.27Å; V38-G40 PolarHBondContact O-N 2.97Å; G40-M42 VanDerWaalsContact C-N 3.31Å; G40-M42 PolarHBondContact O-N 3Å |
| 41 | D | 55.2 | Low | 51.5 | Low | 60 Ų | 60 | 108.9 Ų | 108.9 | 32% | 0.321 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74.4 | -20.7 | -175.7 | -148 | -113.4 | 0 | 0 | 0 | 113.1 | Y37 V38 K43 K44 L45 | Y37-D41 PolarHBondContact O-N 3.29Å; Y37-D41 VanDerWaalsContact O-N 3.17Å; V38-D41 PolarHBondContact O-N 3.35Å; D41-K43 PolarHBondContact O-N 2.9Å; D41-K43 VanDerWaalsContact O-N 3.08Å; D41-K44 PolarHBondContact O-N 3.06Å; D41-L45 HydrophobicContact CB-CD1 4.32Å; D41-L45 WeakPolarHBondContact O-CG 3.33Å; D41-L45 PolarHBondContact O-N 3.07Å; D41-L45 WeakPolarHBondContact OD1-CD1 3.16Å; D41-L45 WeakPolarHBondContact OD1-CG 3.18Å |
| 42 | M | 48.8 | Very low | 51.9 | Low | 92 Ų | 92 | 108.7 Ų | 108.7 | 45% | 0.453 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.1 | -28 | -176.3 | -60.2 | -159.1 | -178.3 | 0 | 0 | 114 | V38 G40 A46 I79 | V38-M42 HydrophobicContact CG1-CE 4.11Å; V38-M42 WeakPolarHBondContact O-CG 3.31Å; G40-M42 VanDerWaalsContact C-N 3.31Å; G40-M42 PolarHBondContact O-N 3Å; M42-A46 WeakPolarHBondContact O-CB 3.35Å; M42-A46 PolarHBondContact O-N 3.28Å; M42-I79 HydrophobicContact CE-CD1 4.5Å |
| 43 | K | 49.9 | Very low | 52.3 | Low | 173 Ų | 173 | 109.7 Ų | 109.7 | 75% | 0.752 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -77.2 | -35.4 | 178.2 | -61.6 | -170.8 | 159.4 | -167.1 | 0 | 112.7 | D41 N47 | D41-K43 PolarHBondContact O-N 2.9Å; D41-K43 VanDerWaalsContact O-N 3.08Å; K43-N47 PolarHBondContact O-N 3.26Å |
| 44 | K | 53.4 | Low | 52.6 | Low | 148 Ų | 148 | 105.3 Ų | 105.3 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -78.2 | -40.2 | -178.6 | -165.1 | 173.9 | -179.5 | -177.1 | 0 | 110.6 | D41 N47 Q48 | D41-K44 PolarHBondContact O-N 3.06Å; K44-N47 PolarHBondContact O-N 3.43Å; K44-Q48 WeakPolarHBondContact O-CB 3.48Å; K44-Q48 VanDerWaalsContact O-CG 3.31Å; K44-Q48 WeakPolarHBondContact O-CG 3.41Å; K44-Q48 PolarHBondContact O-N 2.9Å |
| 45 | L | 55.9 | Low | 52.7 | Low | 89 Ų | 89 | 105.8 Ų | 105.8 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.7 | -44.1 | 170.5 | -64.4 | 173.1 | 0 | 0 | 0 | 111.5 | D41 N47 Q48 L49 | D41-L45 HydrophobicContact CB-CD1 4.32Å; D41-L45 WeakPolarHBondContact O-CG 3.33Å; D41-L45 PolarHBondContact O-N 3.07Å; D41-L45 WeakPolarHBondContact OD1-CD1 3.16Å; D41-L45 WeakPolarHBondContact OD1-CG 3.18Å; L45-N47 VanDerWaalsContact C-N 3.33Å; L45-N47 PolarHBondContact O-N 2.81Å; L45-Q48 PolarHBondContact O-N 3.42Å; L45-L49 VanDerWaalsContact O-CB 3.32Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 WeakPolarHBondContact O-CD1 3.32Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 2.96Å |
| 46 | A | 55.8 | Low | 52.8 | Low | 52 Ų | 52 | 105.4 Ų | 105.4 | 43% | 0.43 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.3 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M42 K50 | M42-A46 WeakPolarHBondContact O-CB 3.35Å; M42-A46 PolarHBondContact O-N 3.28Å; A46-K50 PolarHBondContact O-N 3.42Å |
| 47 | N | 54.7 | Low | 53 | Low | 109 Ų | 109 | 109.3 Ų | 109.3 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.6 | -36.3 | 175.1 | -96.8 | 6.8 | 0 | 0 | 0 | 112.7 | K43 K44 L45 L49 K50 | K43-N47 PolarHBondContact O-N 3.26Å; K44-N47 PolarHBondContact O-N 3.43Å; L45-N47 VanDerWaalsContact C-N 3.33Å; L45-N47 PolarHBondContact O-N 2.81Å; N47-L49 VanDerWaalsContact C-N 3.32Å; N47-K50 PolarHBondContact O-N 3.39Å |
| 48 | Q | 54 | Low | 53.3 | Low | 156 Ų | 156 | 107 Ų | 107 | 73% | 0.729 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.4 | -29.1 | 174.5 | -74.5 | -95.6 | -51.3 | 0 | 0 | 112.8 | K44 L45 K50 | K44-Q48 WeakPolarHBondContact O-CB 3.48Å; K44-Q48 VanDerWaalsContact O-CG 3.31Å; K44-Q48 WeakPolarHBondContact O-CG 3.41Å; K44-Q48 PolarHBondContact O-N 2.9Å; L45-Q48 PolarHBondContact O-N 3.42Å; Q48-K50 VanDerWaalsContact C-N 3.35Å |
| 49 | L | 53.8 | Low | 53.5 | Low | 77 Ų | 77 | 104.7 Ų | 104.7 | 40% | 0.403 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -76.2 | -21 | 176.8 | -84.9 | 158.7 | 0 | 0 | 0 | 113.2 | L45 N47 D51 L56 I59 | L45-L49 VanDerWaalsContact O-CB 3.32Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 WeakPolarHBondContact O-CD1 3.32Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 2.96Å; N47-L49 VanDerWaalsContact C-N 3.32Å; L49-D51 PolarHBondContact O-N 2.85Å; L49-L56 HydrophobicContact CB-CD2 4.09Å; L49-L56 HydrophobicContact CD2-CD2 3.93Å; L49-L56 WeakPolarHBondContact O-CD1 3.21Å; L49-I59 HydrophobicContact CD2-CD1 4.11Å |
| 50 | K | 48.5 | Very low | 53.8 | Low | 160 Ų | 160 | 105.1 Ų | 105.1 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.8 | -177.7 | -113.9 | 176.8 | 177.4 | -174 | 0 | 114.3 | A46 N47 Q48 | A46-K50 PolarHBondContact O-N 3.42Å; N47-K50 PolarHBondContact O-N 3.39Å; Q48-K50 VanDerWaalsContact C-N 3.35Å |
| 51 | D | 53.9 | Low | 54.2 | Low | 135 Ų | 135 | 112.4 Ų | 112.4 | 72% | 0.722 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -0.4 | -171.6 | -84.4 | -80.1 | 0 | 0 | 0 | 115.5 | L49 | L49-D51 PolarHBondContact O-N 2.85Š|
| 52 | K | 52.5 | Low | 54 | Low | 150 Ų | 150 | 111.4 Ų | 111.4 | 65% | 0.652 | 55% | 0.55 | S | S | * | * | trans | -144.1 | 109.4 | 176.1 | -71.2 | -173.2 | -176.9 | -68 | 0 | 114 | V54 | K52-V54 PolarHBondContact O-N 2.84Š| ||
| 53 | P | 57.1 | Low | 54.2 | Low | 101 Ų | 101 | 110.9 Ų | 110.9 | 66% | 0.656 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 4.8 | -171.6 | 30.9 | -34.6 | 0 | 0 | 0 | 116.4 | Q57 | P53-Q57 WeakPolarHBondContact O-CG 3.42Å; P53-Q57 PolarHBondContact O-NE2 2.9Å |
| 54 | V | 56.7 | Low | 54.5 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 67% | 0.673 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -38.8 | 174.4 | 117.5 | 0 | 0 | 0 | 0 | 112.3 | K52 Q57 F58 | K52-V54 PolarHBondContact O-N 2.84Å; V54-Q57 PolarHBondContact O-N 2.87Å; V54-F58 PolarHBondContact O-N 3.39Å; V54-F58 VanDerWaalsContact O-N 3.16Å |
| 55 | V | 52.2 | Low | 54.6 | Low | 73 Ų | 73 | 105.9 Ų | 105.9 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.6 | -38.6 | -178.6 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | F58 I59 | V55-F58 PolarHBondContact O-N 3.38Å; V55-I59 HydrophobicContact CG1-CD1 3.8Å; V55-I59 HydrophobicContact CG1-CG1 4.41Å; V55-I59 WeakPolarHBondContact O-CB 3.43Å; V55-I59 WeakPolarHBondContact O-CD1 3.19Å; V55-I59 WeakPolarHBondContact O-CG1 3.43Å; V55-I59 PolarHBondContact O-N 3.4Å |
| 56 | L | 54.1 | Low | 54.4 | Low | 68 Ų | 68 | 103.2 Ų | 103.2 | 36% | 0.356 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 175.3 | -79.4 | 179.7 | 0 | 0 | 0 | 113.5 | L49 F58 I59 D60 | L49-L56 HydrophobicContact CB-CD2 4.09Å; L49-L56 HydrophobicContact CD2-CD2 3.93Å; L49-L56 WeakPolarHBondContact O-CD1 3.21Å; L56-F58 VanDerWaalsContact C-N 3.34Å; L56-I59 PolarHBondContact O-N 2.95Å; L56-D60 WeakPolarHBondContact O-CB 3.28Å; L56-D60 PolarHBondContact O-N 3.34Å |
| 57 | Q | 56.6 | Low | 54.1 | Low | 136 Ų | 136 | 104.6 Ų | 104.6 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.7 | -35.6 | 177 | -75.5 | -173.2 | 90 | 0 | 0 | 112.2 | P53 V54 D60 W61 | P53-Q57 WeakPolarHBondContact O-CG 3.42Å; P53-Q57 PolarHBondContact O-NE2 2.9Å; V54-Q57 PolarHBondContact O-N 2.87Å; Q57-D60 PolarHBondContact O-N 3.37Å; Q57-W61 PolarHBondContact O-N 3.37Å |
| 58 | F | 58.3 | Low | 53.8 | Low | 135 Ų | 135 | 107.6 Ų | 107.6 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70 | -40.2 | 175.2 | -167.1 | -106.3 | 0 | 0 | 0 | 111.7 | V54 V55 L56 D60 W61 I62 | V54-F58 PolarHBondContact O-N 3.39Å; V54-F58 VanDerWaalsContact O-N 3.16Å; V55-F58 PolarHBondContact O-N 3.38Å; L56-F58 VanDerWaalsContact C-N 3.34Å; F58-D60 VanDerWaalsContact C-N 3.34Å; F58-W61 PolarHBondContact O-N 3.16Å; F58-I62 HydrophobicContact CD1-CD1 3.56Å; F58-I62 HydrophobicContact CE1-CD1 3.25Å; F58-I62 HydrophobicContact CE1-CG1 4.38Å; F58-I62 HydrophobicContact CG-CD1 4.36Å; F58-I62 HydrophobicContact CZ-CD1 3.82Å; F58-I62 WeakPolarHBondContact O-CB 3.44Å; F58-I62 WeakPolarHBondContact O-CG1 3.16Å; F58-I62 PolarHBondContact O-N 3.41Å |
| 59 | I | 55 | Low | 53.3 | Low | 33 Ų | 33 | 106 Ų | 106 | 17% | 0.169 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 170.4 | -68.8 | 164.1 | 0 | 0 | 0 | 110 | L49 V55 L56 W61 I62 L63 L82 | L49-I59 HydrophobicContact CD2-CD1 4.11Å; V55-I59 HydrophobicContact CG1-CD1 3.8Å; V55-I59 HydrophobicContact CG1-CG1 4.41Å; V55-I59 WeakPolarHBondContact O-CB 3.43Å; V55-I59 WeakPolarHBondContact O-CD1 3.19Å; V55-I59 WeakPolarHBondContact O-CG1 3.43Å; V55-I59 PolarHBondContact O-N 3.4Å; L56-I59 PolarHBondContact O-N 2.95Å; I59-W61 PolarHBondContact O-N 3.16Å; I59-I62 PolarHBondContact O-N 3.44Å; I59-L63 WeakPolarHBondContact O-CB 3.13Å; I59-L63 PolarHBondContact O-N 3.45Å; I59-L82 HydrophobicContact CG2-CD1 4.5Å; I59-L82 HydrophobicContact CG2-CD2 4.5Å |
| 60 | D | 54.6 | Low | 52.9 | Low | 99 Ų | 99 | 105.3 Ų | 105.3 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 177.8 | -169.1 | -97.2 | 0 | 0 | 0 | 111.8 | L56 Q57 F58 I62 L63 R64 | L56-D60 WeakPolarHBondContact O-CB 3.28Å; L56-D60 PolarHBondContact O-N 3.34Å; Q57-D60 PolarHBondContact O-N 3.37Å; F58-D60 VanDerWaalsContact C-N 3.34Å; D60-I62 PolarHBondContact O-N 2.88Å; D60-L63 PolarHBondContact O-N 3.34Å; D60-R64 WeakPolarHBondContact O-CB 3.15Å; D60-R64 PolarHBondContact O-N 2.8Å |
| 61 | W | 56.7 | Low | 52.9 | Low | 203 Ų | 203 | 107.3 Ų | 107.3 | 77% | 0.769 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 175.2 | -162.6 | -28.3 | 0 | 0 | 0 | 111.5 | Q57 F58 I59 R64 G65 | Q57-W61 PolarHBondContact O-N 3.37Å; F58-W61 PolarHBondContact O-N 3.16Å; I59-W61 PolarHBondContact O-N 3.16Å; W61-R64 PolarHBondContact O-N 3.1Å; W61-G65 PolarHBondContact O-N 3.11Å |
| 62 | I | 52.5 | Low | 52.4 | Low | 40 Ų | 40 | 106.4 Ų | 106.4 | 21% | 0.205 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 179 | -69.6 | 171.9 | 0 | 0 | 0 | 111.1 | F58 I59 D60 R64 G65 I66 L85 | F58-I62 HydrophobicContact CD1-CD1 3.56Å; F58-I62 HydrophobicContact CE1-CD1 3.25Å; F58-I62 HydrophobicContact CE1-CG1 4.38Å; F58-I62 HydrophobicContact CG-CD1 4.36Å; F58-I62 HydrophobicContact CZ-CD1 3.82Å; F58-I62 WeakPolarHBondContact O-CB 3.44Å; F58-I62 WeakPolarHBondContact O-CG1 3.16Å; F58-I62 PolarHBondContact O-N 3.41Å; I59-I62 PolarHBondContact O-N 3.44Å; D60-I62 PolarHBondContact O-N 2.88Å; I62-R64 VanDerWaalsContact C-N 3.26Å; I62-R64 PolarHBondContact O-N 3.5Å; I62-G65 CarbonylContact O-C 3.54Å; I62-G65 WeakPolarHBondContact O-CA 3.47Å; I62-G65 PolarHBondContact O-N 2.84Å; I62-G65 VanDerWaalsContact O-N 3.1Å; I62-I66 HydrophobicContact CG2-CD1 3.6Å; I62-I66 HydrophobicContact CG2-CG1 4.25Å; I62-I66 VanDerWaalsContact O-CG1 3.28Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 3.38Å; I62-L85 HydrophobicContact CD1-CD2 4.37Å; I62-L85 HydrophobicContact CG2-CD2 4.38Å |
| 63 | L | 52.4 | Low | 51.9 | Low | 81 Ų | 81 | 106 Ų | 106 | 42% | 0.424 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.9 | -35.7 | 178 | -153.1 | 71.1 | 0 | 0 | 0 | 110.5 | I59 D60 I66 S67 | I59-L63 WeakPolarHBondContact O-CB 3.13Å; I59-L63 PolarHBondContact O-N 3.45Å; D60-L63 PolarHBondContact O-N 3.34Å; L63-I66 PolarHBondContact O-N 2.81Å; L63-S67 WeakPolarHBondContact O-CB 3.33Å; L63-S67 PolarHBondContact O-N 3.41Å; L63-S67 PolarHBondContact O-OG 2.74Å |
| 64 | R | 56.7 | Low | 51.7 | Low | 183 Ų | 183 | 106.7 Ų | 106.7 | 69% | 0.691 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.5 | -38.2 | 171.7 | -167.4 | 162.9 | 167.2 | 158.6 | -4.6 | 111.7 | D60 W61 I62 S67 Q68 | D60-R64 WeakPolarHBondContact O-CB 3.15Å; D60-R64 PolarHBondContact O-N 2.8Å; W61-R64 PolarHBondContact O-N 3.1Å; I62-R64 VanDerWaalsContact C-N 3.26Å; I62-R64 PolarHBondContact O-N 3.5Å; R64-S67 WeakPolarHBondContact CA-OG 3.4Å; R64-S67 PolarHBondContact O-OG 3.49Å; R64-Q68 PolarHBondContact O-N 2.98Å |
| 65 | G | 54.9 | Low | 51.5 | Low | 33 Ų | 33 | 106.6 Ų | 106.6 | 34% | 0.34 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | W61 I62 Q68 | W61-G65 PolarHBondContact O-N 3.11Å; I62-G65 CarbonylContact O-C 3.54Å; I62-G65 WeakPolarHBondContact O-CA 3.47Å; I62-G65 PolarHBondContact O-N 2.84Å; I62-G65 VanDerWaalsContact O-N 3.1Å; G65-Q68 WeakPolarHBondContact O-CB 3.49Å; G65-Q68 PolarHBondContact O-N 2.9Å |
| 66 | I | 51.9 | Low | 51.6 | Low | 33 Ų | 33 | 107.4 Ų | 107.4 | 17% | 0.169 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -76.7 | -36.4 | 177.1 | -63.5 | 165.7 | 0 | 0 | 0 | 110.7 | I62 L63 Q68 V69 V70 I81 | I62-I66 HydrophobicContact CG2-CD1 3.6Å; I62-I66 HydrophobicContact CG2-CG1 4.25Å; I62-I66 VanDerWaalsContact O-CG1 3.28Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 3.38Å; L63-I66 PolarHBondContact O-N 2.81Å; I66-Q68 PolarHBondContact O-N 3.39Å; I66-V69 PolarHBondContact O-N 3.3Å; I66-V70 HydrophobicContact CG2-CG2 4.12Å; I66-V70 PolarHBondContact O-N 2.94Å; I66-I81 HydrophobicContact CD1-CG2 4.18Å |
| 67 | S | 49.2 | Very low | 51.4 | Low | 81 Ų | 81 | 106.7 Ų | 106.7 | 57% | 0.566 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.1 | -24.8 | 174 | 75.1 | 0 | 0 | 0 | 0 | 112.7 | L63 R64 V69 | L63-S67 WeakPolarHBondContact O-CB 3.33Å; L63-S67 PolarHBondContact O-N 3.41Å; L63-S67 PolarHBondContact O-OG 2.74Å; R64-S67 WeakPolarHBondContact CA-OG 3.4Å; R64-S67 PolarHBondContact O-OG 3.49Å; S67-V69 VanDerWaalsContact C-N 3.32Å |
| 68 | Q | 47.6 | Very low | 51.2 | Low | 172 Ų | 172 | 101.1 Ų | 101.1 | 80% | 0.804 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -23.2 | 174.4 | -164.1 | 174.7 | -0.3 | 0 | 0 | 112.5 | R64 G65 I66 | R64-Q68 PolarHBondContact O-N 2.98Å; G65-Q68 WeakPolarHBondContact O-CB 3.49Å; G65-Q68 PolarHBondContact O-N 2.9Å; I66-Q68 PolarHBondContact O-N 3.39Å |
| 69 | V | 44.6 | Very low | 51.3 | Low | 123 Ų | 123 | 98.7 Ų | 98.7 | 75% | 0.745 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -27.3 | -176.3 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | I66 S67 F71 | I66-V69 PolarHBondContact O-N 3.3Å; S67-V69 VanDerWaalsContact C-N 3.32Å; V69-F71 PolarHBondContact O-N 3.22Å |
| 70 | V | 46 | Very low | 51.6 | Low | 61 Ų | 61 | 103.4 Ų | 103.4 | 37% | 0.37 | 55% | 0.548 | S | S | . | . | trans | -106.1 | 70.7 | -175.3 | -168.8 | 0 | 0 | 0 | 0 | 111 | I66 V72 | I66-V70 HydrophobicContact CG2-CG2 4.12Å; I66-V70 PolarHBondContact O-N 2.94Å; V70-V72 PolarHBondContact O-N 3.4Å | ||
| 71 | F | 48.5 | Very low | 51.8 | Low | 203 Ų | 203 | 102.6 Ų | 102.6 | 89% | 0.89 | 54% | 0.543 | S | S | * | . | trans | -66.1 | 121.8 | 149.6 | -146.8 | -104.1 | 0 | 0 | 0 | 106.5 | V69 | V69-F71 PolarHBondContact O-N 3.22Š| ||
| 72 | V | 42.1 | Very low | 51.8 | Low | 116 Ų | 116 | 94.6 Ų | 94.6 | 70% | 0.703 | 52% | 0.515 | S | S | * | . | S | Bend | trans | 102.7 | 83.1 | 174.9 | -165.4 | 0 | 0 | 0 | 0 | 116.8 | V70 | V70-V72 PolarHBondContact O-N 3.4Š|
| 73 | N | 43.4 | Very low | 52 | Low | 142 Ų | 142 | 96.5 Ų | 96.5 | 76% | 0.759 | 53% | 0.529 | S | S | * | . | S | Bend | 86.1 | 20.9 | 118.5 | -139 | 31.9 | 0 | 0 | 0 | 124.4 | |||
| 74 | D | 52.7 | Low | 52 | Low | 115 Ų | 115 | 94.6 Ų | 94.6 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | trans | -153.9 | 115.3 | 161.5 | -97.3 | -60.4 | 0 | 0 | 0 | 115 | V76 S77 | D74-V76 PolarHBondContact O-N 2.75Å; D74-V76 VanDerWaalsContact O-N 3.16Å; D74-S77 WeakPolarHBondContact O-CB 3.47Å; D74-S77 PolarHBondContact O-N 3.48Å; D74-S77 VanDerWaalsContact O-N 3.11Å | ||
| 75 | P | 51.1 | Low | 51.8 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 70% | 0.701 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -16.5 | 179.7 | 27 | -33.8 | 0 | 0 | 0 | 113.6 | S77 G78 I79 | P75-S77 VanDerWaalsContact C-N 3.33Å; P75-G78 PolarHBondContact O-N 3.28Å; P75-I79 PolarHBondContact O-N 3.46Å |
| 76 | V | 54.5 | Low | 51.5 | Low | 90 Ų | 90 | 94 Ų | 94 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.4 | -32.8 | 174.6 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | D74 I79 L80 | D74-V76 PolarHBondContact O-N 2.75Å; D74-V76 VanDerWaalsContact O-N 3.16Å; V76-I79 PolarHBondContact O-N 3.15Å; V76-L80 PolarHBondContact O-N 3.02Å |
| 77 | S | 49.7 | Very low | 51.3 | Low | 54 Ų | 54 | 98.3 Ų | 98.3 | 38% | 0.378 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.9 | -39.6 | 176.1 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | D74 P75 I79 L80 I81 | D74-S77 WeakPolarHBondContact O-CB 3.47Å; D74-S77 PolarHBondContact O-N 3.48Å; D74-S77 VanDerWaalsContact O-N 3.11Å; P75-S77 VanDerWaalsContact C-N 3.33Å; S77-I79 VanDerWaalsContact C-N 3.33Å; S77-I79 PolarHBondContact O-N 3.04Å; S77-L80 PolarHBondContact O-N 3.29Å; S77-I81 WeakPolarHBondContact O-CG1 3.3Å; S77-I81 PolarHBondContact O-N 2.92Å |
| 78 | G | 51.9 | Low | 51 | Low | 18 Ų | 18 | 100.8 Ų | 100.8 | 19% | 0.186 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -59.9 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P75 L82 | P75-G78 PolarHBondContact O-N 3.28Å; G78-L82 VanDerWaalsContact O-CB 3.23Å; G78-L82 WeakPolarHBondContact O-CB 3.32Å; G78-L82 PolarHBondContact O-N 3.43Å |
| 79 | I | 61.2 | Low | 51.2 | Low | 84 Ų | 84 | 96.8 Ų | 96.8 | 43% | 0.431 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.3 | -39.3 | 178 | -62.9 | 171.7 | 0 | 0 | 0 | 111.4 | M42 P75 V76 S77 L82 V83 | M42-I79 HydrophobicContact CE-CD1 4.5Å; P75-I79 PolarHBondContact O-N 3.46Å; V76-I79 PolarHBondContact O-N 3.15Å; S77-I79 VanDerWaalsContact C-N 3.33Å; S77-I79 PolarHBondContact O-N 3.04Å; I79-L82 WeakPolarHBondContact O-CB 3.39Å; I79-L82 PolarHBondContact O-N 3.28Å; I79-V83 HydrophobicContact CG2-CG2 4.42Å; I79-V83 VanDerWaalsContact O-CG2 3.32Å; I79-V83 WeakPolarHBondContact O-CG2 3.46Å; I79-V83 PolarHBondContact O-N 3.02Å |
| 80 | L | 61.9 | Low | 51.6 | Low | 133 Ų | 133 | 95.1 Ų | 95.1 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.7 | -39.6 | -179.8 | -160.8 | 72.3 | 0 | 0 | 0 | 111.9 | V76 S77 G84 | V76-L80 PolarHBondContact O-N 3.02Å; S77-L80 PolarHBondContact O-N 3.29Å; L80-G84 PolarHBondContact O-N 3.49Å |
| 81 | I | 57.9 | Low | 51.7 | Low | 81 Ų | 81 | 100.4 Ų | 100.4 | 42% | 0.415 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.1 | -41 | 173 | -66.5 | 172.9 | 0 | 0 | 0 | 110.6 | I66 S77 V83 G84 L85 | I66-I81 HydrophobicContact CD1-CG2 4.18Å; S77-I81 WeakPolarHBondContact O-CG1 3.3Å; S77-I81 PolarHBondContact O-N 2.92Å; I81-V83 VanDerWaalsContact C-N 3.34Å; I81-V83 PolarHBondContact O-N 3.48Å; I81-G84 PolarHBondContact O-N 2.84Å; I81-L85 WeakPolarHBondContact O-CB 3.37Å; I81-L85 PolarHBondContact O-N 3.35Å |
| 82 | L | 57.3 | Low | 52 | Low | 36 Ų | 36 | 99.8 Ų | 99.8 | 19% | 0.188 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -59.4 | -44 | 176.8 | -170.4 | 71.1 | 0 | 0 | 0 | 111.7 | I59 G78 I79 L85 L86 | I59-L82 HydrophobicContact CG2-CD1 4.5Å; I59-L82 HydrophobicContact CG2-CD2 4.5Å; G78-L82 VanDerWaalsContact O-CB 3.23Å; G78-L82 WeakPolarHBondContact O-CB 3.32Å; G78-L82 PolarHBondContact O-N 3.43Å; I79-L82 WeakPolarHBondContact O-CB 3.39Å; I79-L82 PolarHBondContact O-N 3.28Å; L82-L85 PolarHBondContact O-N 2.99Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 PolarHBondContact O-N 2.96Å |
| 83 | V | 57.3 | Low | 52.7 | Low | 80 Ų | 80 | 97.9 Ų | 97.9 | 49% | 0.485 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | I79 I81 L85 L86 V87 | I79-V83 HydrophobicContact CG2-CG2 4.42Å; I79-V83 VanDerWaalsContact O-CG2 3.32Å; I79-V83 WeakPolarHBondContact O-CG2 3.46Å; I79-V83 PolarHBondContact O-N 3.02Å; I81-V83 VanDerWaalsContact C-N 3.34Å; I81-V83 PolarHBondContact O-N 3.48Å; V83-L85 VanDerWaalsContact C-N 3.3Å; V83-L85 PolarHBondContact O-N 3.02Å; V83-L86 PolarHBondContact O-N 2.96Å; V83-V87 WeakPolarHBondContact O-CG2 3.41Å; V83-V87 PolarHBondContact O-N 3.39Å |
| 84 | G | 52.5 | Low | 53.8 | Low | 41 Ų | 41 | 95.5 Ų | 95.5 | 42% | 0.423 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.8 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L80 I81 Q88 | L80-G84 PolarHBondContact O-N 3.49Å; I81-G84 PolarHBondContact O-N 2.84Å; G84-Q88 PolarHBondContact O-N 3.27Å |
| 85 | L | 50.4 | Low | 54.8 | Low | 84 Ų | 84 | 92.9 Ų | 92.9 | 44% | 0.44 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.8 | -35.7 | 177 | -157.7 | 78.9 | 0 | 0 | 0 | 112.4 | I62 I81 L82 V83 V87 Q88 | I62-L85 HydrophobicContact CD1-CD2 4.37Å; I62-L85 HydrophobicContact CG2-CD2 4.38Å; I81-L85 WeakPolarHBondContact O-CB 3.37Å; I81-L85 PolarHBondContact O-N 3.35Å; L82-L85 PolarHBondContact O-N 2.99Å; V83-L85 VanDerWaalsContact C-N 3.3Å; V83-L85 PolarHBondContact O-N 3.02Å; L85-V87 VanDerWaalsContact C-N 3.29Å; L85-V87 PolarHBondContact O-N 2.87Å; L85-Q88 WeakPolarHBondContact O-CB 3.23Å; L85-Q88 PolarHBondContact O-N 3.42Å |
| 86 | L | 49.1 | Very low | 56 | Low | 120 Ų | 120 | 89.7 Ų | 89.7 | 63% | 0.628 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -37.1 | 174.3 | -128.2 | 72.8 | 0 | 0 | 0 | 112.2 | L82 V83 Q88 P90 | L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 PolarHBondContact O-N 2.96Å; V83-L86 PolarHBondContact O-N 2.96Å; L86-Q88 PolarHBondContact O-N 2.87Å; L86-P90 WeakPolarHBondContact O-CD 3.4Å |
| 87 | V | 48.3 | Very low | 57.1 | Low | 122 Ų | 122 | 93.8 Ų | 93.8 | 74% | 0.739 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.9 | -23.4 | 173.2 | 163.7 | 0 | 0 | 0 | 0 | 111.3 | V83 L85 | V83-V87 WeakPolarHBondContact O-CG2 3.41Å; V83-V87 PolarHBondContact O-N 3.39Å; L85-V87 VanDerWaalsContact C-N 3.29Å; L85-V87 PolarHBondContact O-N 2.87Å |
| 88 | Q | 43 | Very low | 58.7 | Low | 133 Ų | 133 | 96.2 Ų | 96.2 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -81.6 | -27.6 | -167.7 | -152.2 | 159.5 | 29.1 | 0 | 0 | 115.2 | G84 L85 L86 | G84-Q88 PolarHBondContact O-N 3.27Å; L85-Q88 WeakPolarHBondContact O-CB 3.23Å; L85-Q88 PolarHBondContact O-N 3.42Å; L86-Q88 PolarHBondContact O-N 2.87Å |
| 89 | N | 52.3 | Low | 60.4 | Low | 89 Ų | 89 | 97.3 Ų | 97.3 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | trans | 179.1 | 96.4 | 156.3 | -98.8 | -55.5 | 0 | 0 | 0 | 115 | W91 W92 | N89-W91 HydrophobicContact CB-CB 4.31Å; N89-W91 PolarHBondContact O-N 3.4Å; N89-W91 WeakPolarHBondContact OD1-CB 3.32Å; N89-W92 HydrophobicContact CB-CG 4.41Å | ||
| 90 | P | 52.6 | Low | 61.3 | Low | 87 Ų | 87 | 97.5 Ų | 97.5 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -7.9 | 157.1 | 29.5 | -32.2 | 0 | 0 | 0 | 112.4 | L86 W92 A93 L94 | L86-P90 WeakPolarHBondContact O-CD 3.4Å; P90-W92 PolarHBondContact O-N 3.49Å; P90-A93 PolarHBondContact O-N 3.49Å; P90-L94 PolarHBondContact O-N 3.46Å |
| 91 | W | 47.5 | Very low | 62.5 | Low | 172 Ų | 172 | 93.9 Ų | 93.9 | 65% | 0.652 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -34.2 | -179.7 | -156.7 | -101.1 | 0 | 0 | 0 | 113.2 | N89 A93 L94 T95 | N89-W91 HydrophobicContact CB-CB 4.31Å; N89-W91 PolarHBondContact O-N 3.4Å; N89-W91 WeakPolarHBondContact OD1-CB 3.32Å; W91-A93 PolarHBondContact O-N 2.93Å; W91-L94 WeakPolarHBondContact O-CB 3.22Å; W91-L94 PolarHBondContact O-N 2.98Å; W91-T95 WeakPolarHBondContact O-CG2 3.41Å; W91-T95 PolarHBondContact O-N 3.49Å; W91-T95 PolarHBondContact O-OG1 3.49Å |
| 92 | W | 55.5 | Low | 64 | Low | 191 Ų | 191 | 94.2 Ų | 94.2 | 72% | 0.723 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -36.9 | 179.8 | -66.4 | 104.4 | 0 | 0 | 0 | 112.9 | N89 P90 T95 G96 | N89-W92 HydrophobicContact CB-CG 4.41Å; P90-W92 PolarHBondContact O-N 3.49Å; W92-T95 VanDerWaalsContact CA-OG1 3.26Å; W92-T95 WeakPolarHBondContact CA-OG1 3.28Å; W92-T95 PolarHBondContact O-N 2.92Å; W92-T95 PolarHBondContact O-OG1 3.38Å; W92-G96 PolarHBondContact O-N 2.97Å |
| 93 | A | 57 | Low | 65.4 | Low | 75 Ų | 75 | 96.4 Ų | 96.4 | 62% | 0.62 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.8 | -39 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P90 W91 G96 W97 | P90-A93 PolarHBondContact O-N 3.49Å; W91-A93 PolarHBondContact O-N 2.93Å; A93-G96 PolarHBondContact O-N 3.34Å; A93-W97 WeakPolarHBondContact O-CB 3.42Å; A93-W97 PolarHBondContact O-N 3.42Å |
| 94 | L | 65.6 | Low | 66.6 | Low | 92 Ų | 92 | 96.2 Ų | 96.2 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 171.6 | -100.7 | 146.1 | 0 | 0 | 0 | 111.6 | P90 W91 G96 W97 L98 | P90-L94 PolarHBondContact O-N 3.46Å; W91-L94 WeakPolarHBondContact O-CB 3.22Å; W91-L94 PolarHBondContact O-N 2.98Å; L94-G96 VanDerWaalsContact C-N 3.34Å; L94-G96 PolarHBondContact O-N 3.35Å; L94-W97 PolarHBondContact O-N 3.37Å; L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 PolarHBondContact O-N 2.99Å |
| 95 | T | 74.6 | Confident | 68.2 | Low | 61 Ų | 61 | 99 Ų | 99 | 37% | 0.374 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 177.1 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | W91 W92 G99 | W91-T95 WeakPolarHBondContact O-CG2 3.41Å; W91-T95 PolarHBondContact O-N 3.49Å; W91-T95 PolarHBondContact O-OG1 3.49Å; W92-T95 VanDerWaalsContact CA-OG1 3.26Å; W92-T95 WeakPolarHBondContact CA-OG1 3.28Å; W92-T95 PolarHBondContact O-N 2.92Å; W92-T95 PolarHBondContact O-OG1 3.38Å; T95-G99 PolarHBondContact O-N 3.43Å |
| 96 | G | 75.1 | Confident | 69.9 | Low | 40 Ų | 40 | 100.7 Ų | 100.7 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | W92 A93 L94 G99 T100 | W92-G96 PolarHBondContact O-N 2.97Å; A93-G96 PolarHBondContact O-N 3.34Å; L94-G96 VanDerWaalsContact C-N 3.34Å; L94-G96 PolarHBondContact O-N 3.35Å; G96-G99 PolarHBondContact O-N 3.29Å; G96-T100 PolarHBondContact O-N 3.48Å; G96-T100 PolarHBondContact O-OG1 2.98Å |
| 97 | W | 78 | Confident | 71.7 | Confident | 177 Ų | 177 | 97.6 Ų | 97.6 | 67% | 0.67 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 175.5 | -172.6 | 60.6 | 0 | 0 | 0 | 111.9 | A93 L94 G99 T100 V101 | A93-W97 WeakPolarHBondContact O-CB 3.42Å; A93-W97 PolarHBondContact O-N 3.42Å; L94-W97 PolarHBondContact O-N 3.37Å; W97-G99 VanDerWaalsContact C-N 3.3Å; W97-G99 PolarHBondContact O-N 3.49Å; W97-T100 PolarHBondContact O-N 3.41Å; W97-V101 HydrophobicContact CD2-CG2 4.44Å; W97-V101 HydrophobicContact CZ2-CG2 4.47Å; W97-V101 VanDerWaalsContact O-CG2 3.3Å; W97-V101 WeakPolarHBondContact O-CG2 3.33Å; W97-V101 PolarHBondContact O-N 3.37Å |
| 98 | L | 84.2 | Confident | 73.4 | Confident | 105 Ų | 105 | 97.2 Ų | 97.2 | 55% | 0.55 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 174.6 | -148.3 | 81.9 | 0 | 0 | 0 | 111.2 | L94 V101 V102 | L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 PolarHBondContact O-N 2.99Å; L98-V101 PolarHBondContact O-N 3.44Å; L98-V102 WeakPolarHBondContact O-CB 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.5Å; L98-V102 PolarHBondContact O-N 3.02Å |
| 99 | G | 87.7 | Confident | 75.4 | Confident | 40 Ų | 40 | 97.2 Ų | 97.2 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T95 G96 W97 V102 S103 | T95-G99 PolarHBondContact O-N 3.43Å; G96-G99 PolarHBondContact O-N 3.29Å; W97-G99 VanDerWaalsContact C-N 3.3Å; W97-G99 PolarHBondContact O-N 3.49Å; G99-V102 PolarHBondContact O-N 3.25Å; G99-S103 VanDerWaalsContact O-CB 3.23Å; G99-S103 WeakPolarHBondContact O-CB 3.49Å; G99-S103 PolarHBondContact O-N 2.92Å |
| 100 | T | 80.2 | Confident | 76.8 | Confident | 88 Ų | 88 | 98.8 Ų | 98.8 | 54% | 0.54 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 174.3 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | G96 W97 V102 S103 T104 | G96-T100 PolarHBondContact O-N 3.48Å; G96-T100 PolarHBondContact O-OG1 2.98Å; W97-T100 PolarHBondContact O-N 3.41Å; T100-V102 PolarHBondContact O-N 3.46Å; T100-S103 PolarHBondContact O-N 3.36Å; T100-T104 PolarHBondContact O-N 2.93Å; T100-T104 PolarHBondContact O-OG1 2.81Å; T100-T104 VanDerWaalsContact O-OG1 3.04Å |
| 101 | V | 87.3 | Confident | 77.6 | Confident | 57 Ų | 57 | 99.3 Ų | 99.3 | 35% | 0.345 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | W97 L98 S103 T104 L105 | W97-V101 HydrophobicContact CD2-CG2 4.44Å; W97-V101 HydrophobicContact CZ2-CG2 4.47Å; W97-V101 VanDerWaalsContact O-CG2 3.3Å; W97-V101 WeakPolarHBondContact O-CG2 3.33Å; W97-V101 PolarHBondContact O-N 3.37Å; L98-V101 PolarHBondContact O-N 3.44Å; V101-S103 PolarHBondContact O-N 2.95Å; V101-T104 PolarHBondContact O-N 3.29Å; V101-L105 HydrophobicContact CG1-CD1 3.66Å; V101-L105 WeakPolarHBondContact O-CB 3.46Å; V101-L105 WeakPolarHBondContact O-CD1 3.23Å; V101-L105 PolarHBondContact O-N 3.31Å |
| 102 | V | 89.4 | Confident | 77.9 | Confident | 89 Ų | 89 | 99.7 Ų | 99.7 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -41.6 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | L98 G99 T100 L105 M106 | L98-V102 WeakPolarHBondContact O-CB 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.5Å; L98-V102 PolarHBondContact O-N 3.02Å; G99-V102 PolarHBondContact O-N 3.25Å; T100-V102 PolarHBondContact O-N 3.46Å; V102-L105 PolarHBondContact O-N 3.45Å; V102-M106 VanDerWaalsContact O-CB 3.3Å; V102-M106 WeakPolarHBondContact O-CB 3.47Å; V102-M106 PolarHBondContact O-N 3.46Å |
| 103 | S | 85.5 | Confident | 77.5 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 57% | 0.566 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.8 | -42.7 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 112 | G99 T100 V101 M106 A107 | G99-S103 VanDerWaalsContact O-CB 3.23Å; G99-S103 WeakPolarHBondContact O-CB 3.49Å; G99-S103 PolarHBondContact O-N 2.92Å; T100-S103 PolarHBondContact O-N 3.36Å; V101-S103 PolarHBondContact O-N 2.95Å; S103-M106 PolarHBondContact O-N 3.24Å; S103-A107 WeakPolarHBondContact O-CB 3.42Å; S103-A107 PolarHBondContact O-N 2.92Å |
| 104 | T | 82.1 | Confident | 78.5 | Confident | 77 Ų | 77 | 102.1 Ų | 102.1 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.5 | -42.6 | 175.7 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | T100 V101 A107 L108 | T100-T104 PolarHBondContact O-N 2.93Å; T100-T104 PolarHBondContact O-OG1 2.81Å; T100-T104 VanDerWaalsContact O-OG1 3.04Å; V101-T104 PolarHBondContact O-N 3.29Å; T104-A107 PolarHBondContact O-N 2.85Å; T104-L108 HydrophobicContact CG2-CD1 4.36Å; T104-L108 WeakPolarHBondContact O-CG 3.42Å; T104-L108 PolarHBondContact O-N 3.48Å |
| 105 | L | 87.1 | Confident | 79.2 | Confident | 100 Ų | 100 | 102.6 Ų | 102.6 | 52% | 0.524 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.2 | -45.6 | 174.7 | -97.8 | 134.4 | 0 | 0 | 0 | 111.9 | V101 V102 L108 L109 | V101-L105 HydrophobicContact CG1-CD1 3.66Å; V101-L105 WeakPolarHBondContact O-CB 3.46Å; V101-L105 WeakPolarHBondContact O-CD1 3.23Å; V101-L105 PolarHBondContact O-N 3.31Å; V102-L105 PolarHBondContact O-N 3.45Å; L105-L108 PolarHBondContact O-N 2.83Å; L105-L109 WeakPolarHBondContact O-CB 3.26Å; L105-L109 PolarHBondContact O-N 2.96Å |
| 106 | M | 86.1 | Confident | 79.4 | Confident | 119 Ų | 119 | 104.9 Ų | 104.9 | 59% | 0.586 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.2 | -42 | 177.9 | -168.4 | 77.1 | 179.7 | 0 | 0 | 111.7 | V102 S103 L109 L110 | V102-M106 VanDerWaalsContact O-CB 3.3Å; V102-M106 WeakPolarHBondContact O-CB 3.47Å; V102-M106 PolarHBondContact O-N 3.46Å; S103-M106 PolarHBondContact O-N 3.24Å; M106-L109 PolarHBondContact O-N 2.86Å; M106-L110 HydrophobicContact CE-CD1 4.18Å; M106-L110 HydrophobicContact CG-CD1 4.17Å; M106-L110 WeakPolarHBondContact O-CB 3.37Å; M106-L110 PolarHBondContact O-N 2.96Å |
| 107 | A | 87.1 | Confident | 79.7 | Confident | 54 Ų | 54 | 108.8 Ų | 108.8 | 45% | 0.446 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S103 T104 L110 S111 | S103-A107 WeakPolarHBondContact O-CB 3.42Å; S103-A107 PolarHBondContact O-N 2.92Å; T104-A107 PolarHBondContact O-N 2.85Å; A107-L110 PolarHBondContact O-N 2.91Å; A107-S111 WeakPolarHBondContact O-CB 3.09Å; A107-S111 PolarHBondContact O-N 3.26Å |
| 108 | L | 84.6 | Confident | 79.8 | Confident | 115 Ų | 115 | 104.5 Ų | 104.5 | 60% | 0.602 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.9 | -37.7 | 175.5 | -70.9 | 174.8 | 0 | 0 | 0 | 112.4 | T104 L105 S111 Q112 | T104-L108 HydrophobicContact CG2-CD1 4.36Å; T104-L108 WeakPolarHBondContact O-CG 3.42Å; T104-L108 PolarHBondContact O-N 3.48Å; L105-L108 PolarHBondContact O-N 2.83Å; L108-S111 PolarHBondContact O-N 2.98Å; L108-Q112 VanDerWaalsContact O-CG 3.32Å; L108-Q112 WeakPolarHBondContact O-CG 3.37Å; L108-Q112 PolarHBondContact O-N 3.3Å |
| 109 | L | 83.4 | Confident | 79.5 | Confident | 133 Ų | 133 | 104.5 Ų | 104.5 | 70% | 0.696 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.2 | -39 | 175.9 | -117.5 | 128 | 0 | 0 | 0 | 112.2 | L105 M106 | L105-L109 WeakPolarHBondContact O-CB 3.26Å; L105-L109 PolarHBondContact O-N 2.96Å; M106-L109 PolarHBondContact O-N 2.86Å |
| 110 | L | 82.9 | Confident | 78.9 | Confident | 121 Ų | 121 | 109.1 Ų | 109.1 | 63% | 0.634 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -76.3 | -27.9 | 176.6 | -88.1 | 158.5 | 0 | 0 | 0 | 113.5 | M106 A107 Q112 | M106-L110 HydrophobicContact CE-CD1 4.18Å; M106-L110 HydrophobicContact CG-CD1 4.17Å; M106-L110 WeakPolarHBondContact O-CB 3.37Å; M106-L110 PolarHBondContact O-N 2.96Å; A107-L110 PolarHBondContact O-N 2.91Å; L110-Q112 VanDerWaalsContact C-N 3.28Å; L110-Q112 PolarHBondContact O-N 3.15Å |
| 111 | S | 69.2 | Low | 78.8 | Confident | 99 Ų | 99 | 110.7 Ų | 110.7 | 69% | 0.692 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 4.8 | 176 | -85.2 | 0 | 0 | 0 | 0 | 114.3 | A107 L108 | A107-S111 WeakPolarHBondContact O-CB 3.09Å; A107-S111 PolarHBondContact O-N 3.26Å; L108-S111 PolarHBondContact O-N 2.98Å |
| 112 | Q | 53.7 | Low | 78.1 | Confident | 180 Ų | 180 | 115.2 Ų | 115.2 | 84% | 0.841 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 6.3 | 175.6 | -79.6 | -108.2 | -54.4 | 0 | 0 | 113.6 | L108 L110 | L108-Q112 VanDerWaalsContact O-CG 3.32Å; L108-Q112 WeakPolarHBondContact O-CG 3.37Å; L108-Q112 PolarHBondContact O-N 3.3Å; L110-Q112 VanDerWaalsContact C-N 3.28Å; L110-Q112 PolarHBondContact O-N 3.15Å |
| 113 | D | 46.3 | Very low | 77.1 | Confident | 214 Ų | 214 | 117.5 Ų | 117.5 | 100% | 1.144 | 66% | 0.655 | S | S | * | * | trans | -102.7 | 0 | 165.5 | -163.6 | -106.1 | 0 | 0 | 0 | 109.8 |
Retrieved 113 of 113 residues in 128.5 ms
(Link to these results)