| 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 | 47.3 | Very low | 66.1 | Low | 245 Ų | 245 | 117.2 Ų | 117.2 | 100% | 1.207 | 62% | 0.62 | S | S | * | * | 0 | 117.7 | 0 | -71.6 | -174.5 | 120.5 | 0 | 0 | 106.1 | |||||
| 2 | L | 64.4 | Low | 65.5 | Low | 140 Ų | 140 | 118.5 Ų | 118.5 | 73% | 0.733 | 63% | 0.627 | S | S | * | * | trans | -65.4 | 140.8 | 173.5 | -72.4 | 164.9 | 0 | 0 | 0 | 108.4 | ||||
| 3 | S | 70.7 | Confident | 65 | Low | 52 Ų | 52 | 115.5 Ų | 115.5 | 36% | 0.364 | 62% | 0.622 | S | S | . | * | trans | -63.5 | 146.3 | 176.2 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | E5 D6 L7 | S3-E5 PolarHBondContact O-N 3.2Å; S3-E5 VanDerWaalsContact O-N 3.08Å; S3-E5 PolarHBondContact OG-N 3.18Å; S3-D6 PolarHBondContact O-N 3.45Å; S3-L7 PolarHBondContact O-N 3.05Å | ||
| 4 | S | 71.2 | Confident | 64.1 | Low | 90 Ų | 90 | 118.1 Ų | 118.1 | 63% | 0.629 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -57 | -22.6 | 174.9 | 47.4 | 0 | 0 | 0 | 0 | 113.1 | C8 | S4-C8 PolarHBondContact O-N 2.74Å; S4-C8 PolarHBondContact O-SG 3.33Å |
| 5 | E | 71.5 | Confident | 63.1 | Low | 145 Ų | 145 | 117.2 Ų | 117.2 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.4 | -39.4 | 176.8 | -68.9 | 168.5 | 150 | 0 | 0 | 112 | S3 C8 Q9 | S3-E5 PolarHBondContact O-N 3.2Å; S3-E5 VanDerWaalsContact O-N 3.08Å; S3-E5 PolarHBondContact OG-N 3.18Å; E5-C8 PolarHBondContact O-N 3.11Å; E5-Q9 PolarHBondContact O-N 3.47Å; E5-Q9 VanDerWaalsContact O-N 3.1Å |
| 6 | D | 73.9 | Confident | 61.7 | Low | 83 Ų | 83 | 123.7 Ų | 123.7 | 44% | 0.444 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.6 | -39.8 | 178.2 | -63.2 | -36.7 | 0 | 0 | 0 | 110.9 | S3 C8 Q9 E10 | S3-D6 PolarHBondContact O-N 3.45Å; D6-C8 PolarHBondContact O-N 3Å; D6-Q9 PolarHBondContact O-N 3.07Å; D6-E10 PolarHBondContact O-N 3.43Å |
| 7 | L | 70 | Confident | 60.5 | Low | 101 Ų | 101 | 129.6 Ų | 129.6 | 53% | 0.529 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.1 | -39.9 | 177.1 | -172.2 | 70.7 | 0 | 0 | 0 | 111.8 | S3 Q9 E10 L11 | S3-L7 PolarHBondContact O-N 3.05Å; L7-Q9 VanDerWaalsContact C-N 3.3Å; L7-Q9 PolarHBondContact O-N 2.96Å; L7-E10 PolarHBondContact O-N 3.19Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 3.07Å; L7-L11 VanDerWaalsContact O-N 3.11Å |
| 8 | C | 68.5 | Low | 59.7 | Low | 75 Ų | 75 | 130 Ų | 130 | 51% | 0.507 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -64 | -38.8 | 175.4 | -68.4 | 0 | 0 | 0 | 0 | 111.5 | S4 E5 D6 L12 | S4-C8 PolarHBondContact O-N 2.74Å; S4-C8 PolarHBondContact O-SG 3.33Å; E5-C8 PolarHBondContact O-N 3.11Å; D6-C8 PolarHBondContact O-N 3Å; C8-L12 WeakPolarHBondContact O-CB 3.25Å; C8-L12 WeakPolarHBondContact O-CD1 3.4Å; C8-L12 VanDerWaalsContact O-CG 3.25Å; C8-L12 WeakPolarHBondContact O-CG 3.47Å; C8-L12 PolarHBondContact O-N 3.34Å; C8-L12 VanDerWaalsContact O-N 3.11Å |
| 9 | Q | 63.1 | Low | 58.3 | Low | 135 Ų | 135 | 127.5 Ų | 127.5 | 63% | 0.631 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.6 | -33.2 | -178.7 | -154.9 | 166.3 | 73.2 | 0 | 0 | 112.1 | E5 D6 L7 S13 | E5-Q9 PolarHBondContact O-N 3.47Å; E5-Q9 VanDerWaalsContact O-N 3.1Å; D6-Q9 PolarHBondContact O-N 3.07Å; L7-Q9 VanDerWaalsContact C-N 3.3Å; L7-Q9 PolarHBondContact O-N 2.96Å; Q9-S13 WeakPolarHBondContact O-CB 3.47Å; Q9-S13 PolarHBondContact O-N 3.11Å; Q9-S13 PolarHBondContact O-OG 3.1Å |
| 10 | E | 66.6 | Low | 57.3 | Low | 114 Ų | 114 | 127.1 Ų | 127.1 | 53% | 0.533 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -66.5 | -47.6 | 173.5 | -167.8 | 167.5 | -164.3 | 0 | 0 | 111.5 | D6 L7 L12 S13 E14 | D6-E10 PolarHBondContact O-N 3.43Å; L7-E10 PolarHBondContact O-N 3.19Å; E10-L12 VanDerWaalsContact C-N 3.3Å; E10-L12 PolarHBondContact O-N 3.46Å; E10-S13 PolarHBondContact O-N 3.48Å; E10-E14 PolarHBondContact O-N 3.17Å |
| 11 | L | 60.2 | Low | 56.2 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 57% | 0.571 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -63.1 | -34.5 | 177.3 | -67.7 | 177.2 | 0 | 0 | 0 | 113 | L7 | L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 3.07Å; L7-L11 VanDerWaalsContact O-N 3.11Å |
| 12 | L | 59.1 | Low | 56.2 | Low | 133 Ų | 133 | 120.2 Ų | 120.2 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.2 | -31.2 | 175.1 | -73.6 | 168.7 | 0 | 0 | 0 | 112.4 | C8 E10 | C8-L12 WeakPolarHBondContact O-CB 3.25Å; C8-L12 WeakPolarHBondContact O-CD1 3.4Å; C8-L12 VanDerWaalsContact O-CG 3.25Å; C8-L12 WeakPolarHBondContact O-CG 3.47Å; C8-L12 PolarHBondContact O-N 3.34Å; C8-L12 VanDerWaalsContact O-N 3.11Å; E10-L12 VanDerWaalsContact C-N 3.3Å; E10-L12 PolarHBondContact O-N 3.46Å |
| 13 | S | 58.7 | Low | 55.4 | Low | 80 Ų | 80 | 119 Ų | 119 | 56% | 0.559 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.7 | -33.8 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | Q9 E10 S15 | Q9-S13 WeakPolarHBondContact O-CB 3.47Å; Q9-S13 PolarHBondContact O-N 3.11Å; Q9-S13 PolarHBondContact O-OG 3.1Å; E10-S13 PolarHBondContact O-N 3.48Å; S13-S15 VanDerWaalsContact C-N 3.33Å; S13-S15 PolarHBondContact O-N 3.34Å |
| 14 | E | 52 | Low | 54 | Low | 152 Ų | 152 | 119.7 Ų | 119.7 | 71% | 0.71 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -77.9 | -15.3 | -177.1 | -133 | 170.5 | -172.6 | 0 | 0 | 114 | E10 R16 | E10-E14 PolarHBondContact O-N 3.17Å; E14-R16 PolarHBondContact O-N 3.3Å |
| 15 | S | 49.7 | Very low | 52.9 | Low | 104 Ų | 104 | 120.9 Ų | 120.9 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 3.8 | -179.7 | -149.3 | 0 | 0 | 0 | 0 | 114.6 | S13 R17 | S13-S15 VanDerWaalsContact C-N 3.33Å; S13-S15 PolarHBondContact O-N 3.34Å; S15-R17 PolarHBondContact O-N 3.44Å |
| 16 | R | 40.5 | Very low | 51.7 | Low | 221 Ų | 221 | 122.6 Ų | 122.6 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | -88 | 55.1 | 178.3 | -66.9 | -166.1 | -175.9 | -137.6 | 3.8 | 113.5 | E14 | E14-R16 PolarHBondContact O-N 3.3Š| ||
| 17 | R | 40.9 | Very low | 50.6 | Low | 225 Ų | 225 | 126 Ų | 126 | 85% | 0.849 | 71% | 0.712 | S | S | * | * | trans | -143.4 | 129.4 | 163.7 | -68.7 | -168.4 | -157.5 | -151.1 | 5.1 | 113.6 | S15 | S15-R17 PolarHBondContact O-N 3.44Š| ||
| 18 | T | 46.3 | Very low | 49.4 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | 79.4 | 77.2 | 164.9 | 68.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 19 | G | 32.9 | Very low | 48.7 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | trans | -76 | 120.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 20 | C | 37.7 | Very low | 47.9 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -112 | 103.3 | 156.8 | -85.2 | 0 | 0 | 0 | 0 | 106.9 | N22 | C20-N22 PolarHBondContact O-N 3.08Š| ||
| 21 | G | 35.2 | Very low | 47.1 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | -70.9 | 113.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 22 | N | 46.5 | Very low | 46.4 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -99.6 | 94.9 | 154.3 | -69.1 | -16.2 | 0 | 0 | 0 | 106 | C20 G24 | C20-N22 PolarHBondContact O-N 3.08Å; N22-G24 PolarHBondContact O-N 3.07Å | ||
| 23 | S | 49.4 | Very low | 45.9 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -68.3 | 74.2 | 165.6 | 56 | 0 | 0 | 0 | 0 | 108.4 | T25 | S23-T25 PolarHBondContact O-N 2.83Š| ||
| 24 | G | 40.9 | Very low | 45 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 100.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | N22 F26 | N22-G24 PolarHBondContact O-N 3.07Å; G24-F26 VanDerWaalsContact C-N 3.27Å; G24-F26 PolarHBondContact O-N 2.85Å | ||
| 25 | T | 47.3 | Very low | 44.7 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -63.1 | 93.2 | 170.6 | -24.4 | 0 | 0 | 0 | 0 | 106.9 | S23 M27 | S23-T25 PolarHBondContact O-N 2.83Å; T25-M27 VanDerWaalsContact C-N 3.3Å; T25-M27 HydrophobicContact CG2-CE 4.39Å; T25-M27 PolarHBondContact O-N 2.95Å | ||
| 26 | F | 47.1 | Very low | 44.4 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -71.1 | 94.6 | 171.4 | -169.9 | -96.6 | 0 | 0 | 0 | 106.6 | G24 R28 | G24-F26 VanDerWaalsContact C-N 3.27Å; G24-F26 PolarHBondContact O-N 2.85Å; F26-R28 PolarHBondContact O-N 3.45Å | ||
| 27 | M | 50.1 | Low | 44.4 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -56.9 | 104.7 | 172 | -69.1 | -68.7 | 174.8 | 0 | 0 | 107.3 | T25 P29 | T25-M27 VanDerWaalsContact C-N 3.3Å; T25-M27 HydrophobicContact CG2-CE 4.39Å; T25-M27 PolarHBondContact O-N 2.95Å; M27-P29 VanDerWaalsContact O-CD 3.28Å; M27-P29 WeakPolarHBondContact O-CD 3.36Å | ||
| 28 | R | 45.1 | Very low | 44.6 | Very low | 214 Ų | 214 | 137.8 Ų | 137.8 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -66.8 | 118.2 | 165.5 | -100.8 | -179.4 | 166.6 | 174.8 | -4.3 | 106.2 | F26 D30 | F26-R28 PolarHBondContact O-N 3.45Å; R28-D30 PolarHBondContact O-N 3.4Å | ||
| 29 | P | 52.6 | Low | 44.4 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 57% | 0.571 | 78% | 0.779 | S | S | * | * | trans | -63.5 | 121.2 | 167.8 | -11.5 | 26.6 | 0 | 0 | 0 | 106.8 | M27 F31 | M27-P29 VanDerWaalsContact O-CD 3.28Å; M27-P29 WeakPolarHBondContact O-CD 3.36Å; P29-F31 VanDerWaalsContact C-N 3.32Å; P29-F31 HydrophobicContact CB-CD2 4.39Å; P29-F31 HydrophobicContact CB-CE2 4.19Å; P29-F31 HydrophobicContact CG-CE2 4.33Å; P29-F31 WeakPolarHBondContact O-CD2 3.28Å; P29-F31 PolarHBondContact O-N 2.99Å | ||
| 30 | D | 48 | Very low | 45.1 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -60.3 | 97.2 | 169.5 | -63.8 | -44.1 | 0 | 0 | 0 | 107.8 | R28 D32 | R28-D30 PolarHBondContact O-N 3.4Å; D30-D32 PolarHBondContact O-N 3.1Å | ||
| 31 | F | 49.6 | Very low | 45.3 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | -76.1 | 51 | 170.1 | -81.7 | -82.2 | 0 | 0 | 0 | 110.2 | P29 | P29-F31 VanDerWaalsContact C-N 3.32Å; P29-F31 HydrophobicContact CB-CD2 4.39Å; P29-F31 HydrophobicContact CB-CE2 4.19Å; P29-F31 HydrophobicContact CG-CE2 4.33Å; P29-F31 WeakPolarHBondContact O-CD2 3.28Å; P29-F31 PolarHBondContact O-N 2.99Å | ||
| 32 | D | 45.8 | Very low | 45.7 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -106.9 | 66.2 | 171.5 | -74.3 | -18.4 | 0 | 0 | 0 | 108.7 | D30 | D30-D32 PolarHBondContact O-N 3.1Š| ||
| 33 | K | 47.4 | Very low | 45.9 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -154 | 90.9 | 164.9 | -105.5 | 158.2 | -156.9 | -163.6 | 0 | 110.2 | L35 | K33-L35 PolarHBondContact O-N 3.12Š|
| 34 | S | 40.3 | Very low | 45.8 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 11.2 | 104.9 | 154.9 | 61.2 | 0 | 0 | 0 | 0 | 116.4 | N36 | S34-N36 VanDerWaalsContact C-N 3.34Å; S34-N36 PolarHBondContact O-N 2.88Å | ||
| 35 | L | 45.5 | Very low | 46.4 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -50.3 | 104.4 | 141.7 | -89.1 | 104.4 | 0 | 0 | 0 | 106.7 | K33 | K33-L35 PolarHBondContact O-N 3.12Š|
| 36 | N | 43.4 | Very low | 47.2 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | 173.1 | 57.8 | 155.5 | -83.5 | -22.1 | 0 | 0 | 0 | 109.8 | S34 | S34-N36 VanDerWaalsContact C-N 3.34Å; S34-N36 PolarHBondContact O-N 2.88Å | ||
| 37 | A | 41.5 | Very low | 48.1 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -158.7 | 57.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | D39 | A37-D39 PolarHBondContact O-N 3.2Š| ||
| 38 | F | 44.7 | Very low | 49.5 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -75.6 | 83.4 | 161.3 | -147.1 | -89.7 | 0 | 0 | 0 | 105.6 | S40 | F38-S40 PolarHBondContact O-N 3.36Š| ||
| 39 | D | 41.7 | Very low | 51 | Low | 127 Ų | 127 | 134.4 Ų | 134.4 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | trans | -60.7 | 106 | 178 | -153.1 | -16.1 | 0 | 0 | 0 | 106.8 | A37 T41 | A37-D39 PolarHBondContact O-N 3.2Å; D39-T41 PolarHBondContact O-N 2.96Å; D39-T41 PolarHBondContact OD1-OG1 2.93Å | ||
| 40 | S | 48.3 | Very low | 52.3 | Low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | trans | -74.6 | 31.9 | -170.4 | 43.3 | 0 | 0 | 0 | 0 | 112.9 | F38 | F38-S40 PolarHBondContact O-N 3.36Š| ||
| 41 | T | 41.9 | Very low | 53.9 | Low | 115 Ų | 115 | 132.8 Ų | 132.8 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | -107.8 | 47.9 | -179 | -36.8 | 0 | 0 | 0 | 0 | 110.2 | D39 | D39-T41 PolarHBondContact O-N 2.96Å; D39-T41 PolarHBondContact OD1-OG1 2.93Å | ||
| 42 | L | 43.4 | Very low | 55.3 | Low | 128 Ų | 128 | 125.2 Ų | 125.2 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | trans | -80.9 | 126.3 | 166.4 | -124.3 | 105.7 | 0 | 0 | 0 | 108.5 | ||||
| 43 | P | 49.4 | Very low | 57.1 | Low | 102 Ų | 102 | 127.4 Ų | 127.4 | 66% | 0.662 | 68% | 0.684 | S | S | * | * | trans | -66.9 | 139.5 | -170.3 | 28.6 | -34.1 | 0 | 0 | 0 | 109.9 | T45 | P43-T45 VanDerWaalsContact C-N 3.34Å; P43-T45 WeakPolarHBondContact O-CG2 3.23Å; P43-T45 PolarHBondContact O-N 3.4Å | ||
| 44 | N | 47.6 | Very low | 58.7 | Low | 166 Ų | 166 | 124 Ų | 124 | 89% | 0.888 | 68% | 0.682 | S | S | * | * | trans | -30.1 | 88.1 | 171.9 | -83.3 | -67.8 | 0 | 0 | 0 | 113.1 | K46 | N44-K46 PolarHBondContact O-N 3.4Š| ||
| 45 | T | 54.3 | Low | 60.5 | Low | 79 Ų | 79 | 121.3 Ų | 121.3 | 49% | 0.485 | 66% | 0.661 | S | S | . | * | trans | -74.7 | 103.7 | 173.9 | 52.8 | 0 | 0 | 0 | 0 | 106.2 | P43 L47 | P43-T45 VanDerWaalsContact C-N 3.34Å; P43-T45 WeakPolarHBondContact O-CG2 3.23Å; P43-T45 PolarHBondContact O-N 3.4Å; T45-L47 PolarHBondContact O-N 3.07Å | ||
| 46 | K | 64.3 | Low | 62.5 | Low | 197 Ų | 197 | 115.9 Ų | 115.9 | 86% | 0.857 | 64% | 0.637 | S | S | * | * | trans | -61.1 | 104.1 | 172.1 | -72.9 | -179.3 | -179.1 | 178.7 | 0 | 107.8 | N44 E48 | N44-K46 PolarHBondContact O-N 3.4Å; K46-E48 PolarHBondContact O-N 3.49Å | ||
| 47 | L | 65.8 | Low | 64.3 | Low | 108 Ų | 108 | 113.2 Ų | 113.2 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | trans | -77.4 | 115 | 171.9 | -65.8 | 176.8 | 0 | 0 | 0 | 107.7 | T45 V73 | T45-L47 PolarHBondContact O-N 3.07Å; L47-V73 HydrophobicContact CB-CG1 3.73Å; L47-V73 HydrophobicContact CD1-CG1 4.29Å; L47-V73 HydrophobicContact CD2-CG1 3.81Å; L47-V73 HydrophobicContact CG-CG1 4.14Å | ||
| 48 | E | 79 | Confident | 66.4 | Low | 118 Ų | 118 | 112.5 Ų | 112.5 | 55% | 0.551 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 116.4 | 174.7 | -169.1 | -176.7 | 169 | 0 | 0 | 108.8 | K46 V50 K74 | K46-E48 PolarHBondContact O-N 3.49Å; E48-V50 HydrophobicContact CG-CG2 4.48Å; E48-V50 PolarHBondContact O-N 2.94Å; E48-K74 PolarHBondContact N-O 3.42Å; E48-K74 PolarHBondContact O-N 3.47Å |
| 49 | V | 76.5 | Confident | 68.3 | Low | 82 Ų | 82 | 107.6 Ų | 107.6 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 109.8 | 173.3 | -178 | 0 | 0 | 0 | 0 | 108.1 | D71 V73 | V49-D71 HydrophobicContact CG1-CB 4.01Å; V49-V73 HydrophobicContact CG2-CG2 4.45Å |
| 50 | V | 79.6 | Confident | 70.2 | Confident | 54 Ų | 54 | 103 Ų | 103 | 33% | 0.327 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.5 | 175.2 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | E48 F72 K74 | E48-V50 HydrophobicContact CG-CG2 4.48Å; E48-V50 PolarHBondContact O-N 2.94Å; V50-F72 PolarHBondContact N-O 3.04Å; V50-F72 PolarHBondContact O-N 3.19Å; V50-K74 HydrophobicContact CB-CD 4.4Å; V50-K74 HydrophobicContact CG2-CB 4.39Å; V50-K74 HydrophobicContact CG2-CD 3.49Å; V50-K74 VanDerWaalsContact CG2-CD 3.49Å; V50-K74 HydrophobicContact CG2-CG 3.92Å |
| 51 | K | 81.5 | Confident | 71.8 | Confident | 147 Ų | 147 | 107.2 Ų | 107.2 | 64% | 0.639 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 133 | 175.9 | -63.9 | -56.1 | -167.2 | -176 | 0 | 110.8 | D71 | K51-D71 WeakPolarHBondContact CA-OD1 3.41Å; K51-D71 HydrophobicContact CD-CB 4.35Å; K51-D71 VanDerWaalsContact CD-OD1 3.24Å; K51-D71 WeakPolarHBondContact CD-OD1 3.35Å; K51-D71 WeakPolarHBondContact CD-OD2 3.31Å; K51-D71 WeakPolarHBondContact CE-OD2 3.36Å; K51-D71 IonicContact NZ-OD2 3.07Å; K51-D71 PolarHBondContact NZ-OD2 3.04Å |
| 52 | A | 79.3 | Confident | 73.9 | Confident | 32 Ų | 32 | 112 Ų | 112 | 26% | 0.264 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 147.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K70 D71 F72 | A52-K70 VanDerWaalsContact CB-O 3.32Å; A52-K70 WeakPolarHBondContact CB-O 3.37Å; A52-D71 PolarHBondContact N-OD1 3.24Å; A52-F72 HydrophobicContact CB-CE2 4.3Å |
| 53 | K | 84.8 | Confident | 75.7 | Confident | 189 Ų | 189 | 108.7 Ų | 108.7 | 82% | 0.822 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 140.1 | 171.6 | -69.9 | -178.2 | 178.5 | 176.3 | 0 | 109.5 | ||
| 54 | P | 80.2 | Confident | 77.2 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 81% | 0.812 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 141.6 | 175.2 | 26.2 | -33.2 | 0 | 0 | 0 | 110.4 | ||
| 55 | V | 79.2 | Confident | 78.4 | Confident | 49 Ų | 49 | 105.6 Ų | 105.6 | 30% | 0.297 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -77.5 | 140.8 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | I59 A60 L63 Y67 | V55-I59 HydrophobicContact CG1-CB 3.54Å; V55-I59 HydrophobicContact CG1-CG2 3.51Å; V55-A60 HydrophobicContact CG1-CB 4.21Å; V55-L63 HydrophobicContact CG1-CD1 4.41Å; V55-Y67 HydrophobicContact CB-CD1 4.48Å; V55-Y67 HydrophobicContact CG2-CD1 3.74Å; V55-Y67 HydrophobicContact CG2-CE1 3.51Å |
| 56 | S | 85.6 | Confident | 79.1 | Confident | 54 Ų | 54 | 105 Ų | 105 | 38% | 0.378 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 145.1 | 176.5 | 75 | 0 | 0 | 0 | 0 | 110.5 | S58 I59 A60 | S56-S58 PolarHBondContact O-N 2.98Å; S56-S58 VanDerWaalsContact O-N 3.11Å; S56-I59 PolarHBondContact O-N 3.12Å; S56-I59 VanDerWaalsContact OG-CD1 3.3Å; S56-I59 WeakPolarHBondContact OG-CD1 3.31Å; S56-I59 WeakPolarHBondContact OG-CG1 3.48Å; S56-A60 PolarHBondContact O-N 3.36Å |
| 57 | P | 82.5 | Confident | 79.3 | Confident | 104 Ų | 104 | 100.7 Ų | 100.7 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.4 | -28.3 | -175.3 | 19 | -30 | 0 | 0 | 0 | 113.2 | R61 | P57-R61 WeakPolarHBondContact O-CB 3.19Å; P57-R61 PolarHBondContact O-N 3.41Å; P57-R61 VanDerWaalsContact O-N 3.11Å |
| 58 | S | 85.6 | Confident | 79.6 | Confident | 77 Ų | 77 | 102.6 Ų | 102.6 | 54% | 0.538 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.2 | -43 | 173.9 | -175.5 | 0 | 0 | 0 | 0 | 112 | S56 R62 | S56-S58 PolarHBondContact O-N 2.98Å; S56-S58 VanDerWaalsContact O-N 3.11Å; S58-R62 WeakPolarHBondContact O-CG 3.38Å |
| 59 | I | 84 | Confident | 79.1 | Confident | 90 Ų | 90 | 98.2 Ų | 98.2 | 46% | 0.462 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -75.9 | -42 | 178.1 | -60.4 | 165.7 | 0 | 0 | 0 | 110 | V55 S56 R61 R62 L63 | V55-I59 HydrophobicContact CG1-CB 3.54Å; V55-I59 HydrophobicContact CG1-CG2 3.51Å; S56-I59 PolarHBondContact O-N 3.12Å; S56-I59 VanDerWaalsContact OG-CD1 3.3Å; S56-I59 WeakPolarHBondContact OG-CD1 3.31Å; S56-I59 WeakPolarHBondContact OG-CG1 3.48Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 3.45Å; I59-R62 WeakPolarHBondContact O-CA 3.49Å; I59-R62 WeakPolarHBondContact O-CB 3.41Å; I59-R62 PolarHBondContact O-N 3.08Å; I59-L63 HydrophobicContact CG2-CD1 4.38Å; I59-L63 PolarHBondContact O-N 2.92Å |
| 60 | A | 81.9 | Confident | 79.2 | Confident | 30 Ų | 30 | 101.7 Ų | 101.7 | 25% | 0.248 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -59 | -36.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V55 S56 R62 L63 | V55-A60 HydrophobicContact CG1-CB 4.21Å; S56-A60 PolarHBondContact O-N 3.36Å; A60-R62 PolarHBondContact O-N 3.24Å; A60-L63 PolarHBondContact O-N 2.87Å; A60-L63 VanDerWaalsContact O-N 3.15Å |
| 61 | R | 82 | Confident | 79.2 | Confident | 206 Ų | 206 | 102.6 Ų | 102.6 | 78% | 0.777 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -28.1 | 174.5 | -168.3 | -174.1 | -59 | 141.5 | 1.8 | 113.3 | P57 I59 L63 | P57-R61 WeakPolarHBondContact O-CB 3.19Å; P57-R61 PolarHBondContact O-N 3.41Å; P57-R61 VanDerWaalsContact O-N 3.11Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 3.45Å; R61-L63 VanDerWaalsContact C-N 3.33Å |
| 62 | R | 86.5 | Confident | 79 | Confident | 214 Ų | 214 | 102 Ų | 102 | 81% | 0.808 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -13.6 | 178.8 | -57.5 | 177.3 | 84.6 | -179 | 6.5 | 112.1 | S58 I59 A60 | S58-R62 WeakPolarHBondContact O-CG 3.38Å; I59-R62 WeakPolarHBondContact O-CA 3.49Å; I59-R62 WeakPolarHBondContact O-CB 3.41Å; I59-R62 PolarHBondContact O-N 3.08Å; A60-R62 PolarHBondContact O-N 3.24Å |
| 63 | L | 80.5 | Confident | 78.9 | Confident | 60 Ų | 60 | 104.7 Ų | 104.7 | 31% | 0.314 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -89.9 | 138.4 | 179 | -62.6 | 175.6 | 0 | 0 | 0 | 110 | V55 I59 A60 R61 Y67 | V55-L63 HydrophobicContact CG1-CD1 4.41Å; I59-L63 HydrophobicContact CG2-CD1 4.38Å; I59-L63 PolarHBondContact O-N 2.92Å; A60-L63 PolarHBondContact O-N 2.87Å; A60-L63 VanDerWaalsContact O-N 3.15Å; R61-L63 VanDerWaalsContact C-N 3.33Å; L63-Y67 HydrophobicContact CB-CG 4.31Å; L63-Y67 HydrophobicContact CD1-CD1 3.53Å; L63-Y67 HydrophobicContact CD1-CD2 3.97Å; L63-Y67 HydrophobicContact CD1-CE1 4.15Å; L63-Y67 HydrophobicContact CD1-CG 3.42Å; L63-Y67 VanDerWaalsContact CD1-CG 3.42Å; L63-Y67 HydrophobicContact CG-CG 4.47Å |
| 64 | P | 80.4 | Confident | 78.2 | Confident | 118 Ų | 118 | 101.2 Ų | 101.2 | 77% | 0.766 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 136.3 | 178.3 | 24.1 | -30.2 | 0 | 0 | 0 | 111 | ||
| 65 | G | 73.1 | Confident | 77.7 | Confident | 85 Ų | 85 | 99.3 Ų | 99.3 | 88% | 0.876 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 44.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 66 | G | 68.1 | Low | 76.7 | Confident | 65 Ų | 65 | 103.3 Ų | 103.3 | 67% | 0.67 | 57% | 0.569 | S | S | * | * | trans | 62.8 | 51.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I68 | G66-I68 PolarHBondContact O-N 3.13Š| ||
| 67 | Y | 69.9 | Low | 75.2 | Confident | 107 Ų | 107 | 107.2 Ų | 107.2 | 42% | 0.42 | 59% | 0.585 | S | S | . | * | trans | -49.7 | 110.8 | -175.5 | -179.6 | -92.2 | 0 | 0 | 0 | 112.4 | V55 L63 | V55-Y67 HydrophobicContact CB-CD1 4.48Å; V55-Y67 HydrophobicContact CG2-CD1 3.74Å; V55-Y67 HydrophobicContact CG2-CE1 3.51Å; L63-Y67 HydrophobicContact CB-CG 4.31Å; L63-Y67 HydrophobicContact CD1-CD1 3.53Å; L63-Y67 HydrophobicContact CD1-CD2 3.97Å; L63-Y67 HydrophobicContact CD1-CE1 4.15Å; L63-Y67 HydrophobicContact CD1-CG 3.42Å; L63-Y67 VanDerWaalsContact CD1-CG 3.42Å; L63-Y67 HydrophobicContact CG-CG 4.47Å | ||
| 68 | I | 70.7 | Confident | 73.2 | Confident | 149 Ų | 149 | 108.9 Ų | 108.9 | 76% | 0.764 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 124.7 | 165.2 | -83.2 | 159.4 | 0 | 0 | 0 | 106.8 | G66 K70 | G66-I68 PolarHBondContact O-N 3.13Å; I68-K70 PolarHBondContact O-N 3.24Å |
| 69 | G | 69.9 | Low | 71.3 | Confident | 26 Ų | 26 | 109.8 Ų | 109.8 | 27% | 0.268 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 133.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 70 | K | 77.2 | Confident | 69.5 | Low | 155 Ų | 155 | 111 Ų | 111 | 67% | 0.674 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 130.9 | 175.8 | -70.9 | 175.8 | 179.3 | -79.4 | 0 | 109.2 | A52 I68 F72 | A52-K70 VanDerWaalsContact CB-O 3.32Å; A52-K70 WeakPolarHBondContact CB-O 3.37Å; I68-K70 PolarHBondContact O-N 3.24Å; K70-F72 VanDerWaalsContact O-CE2 3.29Å; K70-F72 WeakPolarHBondContact O-CE2 3.34Å |
| 71 | D | 80.4 | Confident | 67.8 | Low | 72 Ų | 72 | 115 Ų | 115 | 39% | 0.385 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 148.3 | 173.2 | -61.5 | -31.8 | 0 | 0 | 0 | 110.8 | V49 K51 A52 | V49-D71 HydrophobicContact CG1-CB 4.01Å; K51-D71 WeakPolarHBondContact CA-OD1 3.41Å; K51-D71 HydrophobicContact CD-CB 4.35Å; K51-D71 VanDerWaalsContact CD-OD1 3.24Å; K51-D71 WeakPolarHBondContact CD-OD1 3.35Å; K51-D71 WeakPolarHBondContact CD-OD2 3.31Å; K51-D71 WeakPolarHBondContact CE-OD2 3.36Å; K51-D71 IonicContact NZ-OD2 3.07Å; K51-D71 PolarHBondContact NZ-OD2 3.04Å; A52-D71 PolarHBondContact N-OD1 3.24Å |
| 72 | F | 77.9 | Confident | 65.8 | Low | 136 Ų | 136 | 110.5 Ų | 110.5 | 60% | 0.596 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.9 | 142.1 | 179 | -58.6 | -83.6 | 0 | 0 | 0 | 109.8 | V50 A52 K70 | V50-F72 PolarHBondContact N-O 3.04Å; V50-F72 PolarHBondContact O-N 3.19Å; A52-F72 HydrophobicContact CB-CE2 4.3Å; K70-F72 VanDerWaalsContact O-CE2 3.29Å; K70-F72 WeakPolarHBondContact O-CE2 3.34Å |
| 73 | V | 77.5 | Confident | 63.8 | Low | 88 Ų | 88 | 104.8 Ų | 104.8 | 53% | 0.533 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 116.8 | 170.3 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | L47 V49 | L47-V73 HydrophobicContact CB-CG1 3.73Å; L47-V73 HydrophobicContact CD1-CG1 4.29Å; L47-V73 HydrophobicContact CD2-CG1 3.81Å; L47-V73 HydrophobicContact CG-CG1 4.14Å; V49-V73 HydrophobicContact CG2-CG2 4.45Å |
| 74 | K | 70 | Confident | 62 | Low | 116 Ų | 116 | 109.9 Ų | 109.9 | 50% | 0.504 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 113.2 | 169.4 | -75.7 | 177.6 | 82.3 | -171.6 | 0 | 108.1 | E48 V50 | E48-K74 PolarHBondContact N-O 3.42Å; E48-K74 PolarHBondContact O-N 3.47Å; V50-K74 HydrophobicContact CB-CD 4.4Å; V50-K74 HydrophobicContact CG2-CB 4.39Å; V50-K74 HydrophobicContact CG2-CD 3.49Å; V50-K74 VanDerWaalsContact CG2-CD 3.49Å; V50-K74 HydrophobicContact CG2-CG 3.92Å |
| 75 | S | 69.7 | Low | 60.2 | Low | 84 Ų | 84 | 111.1 Ų | 111.1 | 59% | 0.587 | 65% | 0.649 | S | S | * | * | trans | -84 | 119.1 | 159.6 | 50.7 | 0 | 0 | 0 | 0 | 108.1 | L77 | S75-L77 PolarHBondContact O-N 2.83Š| ||
| 76 | L | 57.9 | Low | 58.8 | Low | 134 Ų | 134 | 111.8 Ų | 111.8 | 70% | 0.702 | 63% | 0.632 | S | S | * | * | trans | -76.8 | 80.8 | 161 | -101.8 | 85.1 | 0 | 0 | 0 | 107.3 | ||||
| 77 | L | 52.9 | Low | 57.5 | Low | 135 Ų | 135 | 112.5 Ų | 112.5 | 71% | 0.707 | 64% | 0.64 | S | S | * | * | trans | -156 | 122.8 | 152.2 | -137.6 | 71.1 | 0 | 0 | 0 | 111.8 | S75 S79 | S75-L77 PolarHBondContact O-N 2.83Å; L77-S79 PolarHBondContact O-N 3.38Å | ||
| 78 | T | 40.9 | Very low | 56.1 | Low | 140 Ų | 140 | 117.6 Ų | 117.6 | 86% | 0.859 | 66% | 0.659 | S | S | * | * | trans | -47.1 | 111.3 | 170 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 79 | S | 46.3 | Very low | 54.5 | Low | 96 Ų | 96 | 119.6 Ų | 119.6 | 67% | 0.671 | 66% | 0.662 | S | S | * | * | trans | -177.1 | 134.2 | 134 | 54.7 | 0 | 0 | 0 | 0 | 108.7 | L77 | L77-S79 PolarHBondContact O-N 3.38Š| ||
| 80 | P | 46.5 | Very low | 53 | Low | 114 Ų | 114 | 124.6 Ų | 124.6 | 74% | 0.74 | 69% | 0.691 | S | S | * | * | trans | -62.7 | 131.2 | 176.1 | 26.9 | -32.5 | 0 | 0 | 0 | 109.1 | S82 | P80-S82 VanDerWaalsContact C-N 3.27Å; P80-S82 PolarHBondContact O-N 2.93Å | ||
| 81 | P | 45.8 | Very low | 51.3 | Low | 115 Ų | 115 | 119.6 Ų | 119.6 | 75% | 0.747 | 68% | 0.675 | S | S | * | * | trans | -69.6 | 91.6 | 172.5 | 28.5 | -31.1 | 0 | 0 | 0 | 108 | T83 | P81-T83 PolarHBondContact O-N 3.25Š| ||
| 82 | S | 39.3 | Very low | 49.2 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | trans | -77 | 67 | 159.6 | 62.4 | 0 | 0 | 0 | 0 | 108 | P80 | P80-S82 VanDerWaalsContact C-N 3.27Å; P80-S82 PolarHBondContact O-N 2.93Å | ||
| 83 | T | 46 | Very low | 48 | Very low | 93 Ų | 93 | 122.4 Ų | 122.4 | 57% | 0.571 | 70% | 0.702 | S | S | * | * | trans | -123.3 | 99.6 | 167.1 | 33.6 | 0 | 0 | 0 | 0 | 106.2 | P81 E85 | P81-T83 PolarHBondContact O-N 3.25Å; T83-E85 HydrophobicContact CG2-CG 4.02Å; T83-E85 PolarHBondContact O-N 3.38Å | ||
| 84 | N | 41.9 | Very low | 46.6 | Very low | 167 Ų | 167 | 122.2 Ų | 122.2 | 89% | 0.893 | 70% | 0.702 | S | S | * | * | trans | -63.6 | 62 | 156.4 | -65.1 | -55.4 | 0 | 0 | 0 | 108 | ||||
| 85 | E | 43.3 | Very low | 45.9 | Very low | 144 Ų | 144 | 117.5 Ų | 117.5 | 67% | 0.673 | 69% | 0.686 | S | S | * | * | trans | -113.1 | 97.4 | 177.5 | -69.2 | -66.1 | 143.1 | 0 | 0 | 105.4 | T83 G87 | T83-E85 HydrophobicContact CG2-CG 4.02Å; T83-E85 PolarHBondContact O-N 3.38Å; E85-G87 PolarHBondContact O-N 3.24Å | ||
| 86 | D | 42.7 | Very low | 45.7 | Very low | 99 Ų | 99 | 116 Ų | 116 | 53% | 0.529 | 67% | 0.669 | S | S | . | * | trans | 46.7 | 83.1 | 135.4 | -81.3 | 4.3 | 0 | 0 | 0 | 114.4 | R88 | D86-R88 HydrophobicContact CB-CG 4.07Å; D86-R88 PolarHBondContact O-N 3.03Å; D86-R88 IonicContact OD2-CZ 3.76Å; D86-R88 IonicContact OD2-NE 3.03Å; D86-R88 PolarHBondContact OD2-NE 3.2Å; D86-R88 IonicContact OD2-NH2 3.54Å | ||
| 87 | G | 40.9 | Very low | 46.2 | Very low | 81 Ų | 81 | 117.6 Ų | 117.6 | 84% | 0.835 | 67% | 0.671 | S | S | * | * | trans | -60.3 | 63.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E85 K89 | E85-G87 PolarHBondContact O-N 3.24Å; G87-K89 PolarHBondContact O-N 3.42Å | ||
| 88 | R | 41 | Very low | 47.4 | Very low | 214 Ų | 214 | 114.1 Ų | 114.1 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | trans | -71.1 | 64.2 | 162.1 | -81.5 | 179.9 | -165.6 | -129 | 5.1 | 108 | D86 | D86-R88 HydrophobicContact CB-CG 4.07Å; D86-R88 PolarHBondContact O-N 3.03Å; D86-R88 IonicContact OD2-CZ 3.76Å; D86-R88 IonicContact OD2-NE 3.03Å; D86-R88 PolarHBondContact OD2-NE 3.2Å; D86-R88 IonicContact OD2-NH2 3.54Å | ||
| 89 | K | 37.6 | Very low | 49.5 | Very low | 191 Ų | 191 | 110.6 Ų | 110.6 | 83% | 0.83 | 63% | 0.629 | S | S | * | * | trans | -82.3 | 122.5 | 160.5 | -82.3 | -176.4 | 176.7 | 178.3 | 0 | 107.3 | G87 S91 | G87-K89 PolarHBondContact O-N 3.42Å; K89-S91 PolarHBondContact O-N 2.97Å | ||
| 90 | C | 38.2 | Very low | 51.4 | Low | 131 Ų | 131 | 108.1 Ų | 108.1 | 89% | 0.885 | 61% | 0.608 | S | S | * | * | trans | -24.5 | 115.1 | 169.1 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 91 | S | 40 | Very low | 53.5 | Low | 49 Ų | 49 | 108 Ų | 108 | 34% | 0.343 | 60% | 0.601 | S | S | . | * | trans | -143.2 | 68.5 | 161.8 | 177.8 | 0 | 0 | 0 | 0 | 106.9 | K89 I93 T94 G95 D98 | K89-S91 PolarHBondContact O-N 2.97Å; S91-I93 PolarHBondContact O-N 3.4Å; S91-T94 VanDerWaalsContact OG-CB 3.27Å; S91-T94 WeakPolarHBondContact OG-CB 3.32Å; S91-G95 PolarHBondContact O-N 2.9Å; S91-G95 PolarHBondContact OG-N 3.48Å; S91-D98 PolarHBondContact OG-OD2 3.22Å | ||
| 92 | S | 37.1 | Very low | 55.7 | Low | 96 Ų | 96 | 108.4 Ų | 108.4 | 67% | 0.671 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48 | 125.8 | 158.5 | 40.1 | 0 | 0 | 0 | 0 | 109.4 | T94 | S92-T94 PolarHBondContact O-N 3.41Š|
| 93 | I | 51.9 | Low | 58.3 | Low | 171 Ų | 171 | 104.1 Ų | 104.1 | 88% | 0.877 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | -37.7 | 171.1 | -40.6 | 164.4 | 0 | 0 | 0 | 115 | S91 G95 | S91-I93 PolarHBondContact O-N 3.4Å; I93-G95 PolarHBondContact O-N 3.3Å |
| 94 | T | 49.3 | Very low | 60.4 | Low | 85 Ų | 85 | 102.1 Ų | 102.1 | 52% | 0.521 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.1 | 172.5 | -18 | 0 | 0 | 0 | 0 | 112.6 | S91 S92 E96 K97 D98 | S91-T94 VanDerWaalsContact OG-CB 3.27Å; S91-T94 WeakPolarHBondContact OG-CB 3.32Å; S92-T94 PolarHBondContact O-N 3.41Å; T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 PolarHBondContact O-N 3.38Å; T94-K97 PolarHBondContact O-N 2.91Å; T94-D98 PolarHBondContact O-N 3.05Å; T94-D98 VanDerWaalsContact O-N 3.14Å |
| 95 | G | 55.2 | Low | 62.9 | Low | 16 Ų | 16 | 96.3 Ų | 96.3 | 17% | 0.165 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -55.5 | -32.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | S91 I93 D98 N99 | S91-G95 PolarHBondContact O-N 2.9Å; S91-G95 PolarHBondContact OG-N 3.48Å; I93-G95 PolarHBondContact O-N 3.3Å; G95-D98 CarbonylContact O-C 3.59Å; G95-D98 PolarHBondContact O-N 2.91Å; G95-N99 WeakPolarHBondContact O-CB 3.47Å; G95-N99 PolarHBondContact O-N 2.99Å; G95-N99 PolarHBondContact O-ND2 3.05Å; G95-N99 PolarHBondContact O-OD1 2.98Å |
| 96 | E | 64.7 | Low | 65.4 | Low | 53 Ų | 53 | 94.3 Ų | 94.3 | 25% | 0.248 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -70.8 | -42 | -178.6 | -171.2 | 169.8 | -156.6 | 0 | 0 | 112.6 | T94 D98 N99 L100 | T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 PolarHBondContact O-N 3.38Å; E96-D98 VanDerWaalsContact C-N 3.29Å; E96-D98 PolarHBondContact O-N 3.34Å; E96-N99 WeakPolarHBondContact O-CB 3.34Å; E96-N99 PolarHBondContact O-N 3.41Å; E96-N99 VanDerWaalsContact O-N 3.14Å; E96-L100 PolarHBondContact O-N 3.14Å; E96-L100 VanDerWaalsContact O-N 3.08Å |
| 97 | K | 68.1 | Low | 68 | Low | 167 Ų | 167 | 91.2 Ų | 91.2 | 73% | 0.726 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.4 | -36.9 | 174 | -165.6 | 169.2 | -176.5 | 172.2 | 0 | 111 | T94 N99 L100 N101 | T94-K97 PolarHBondContact O-N 2.91Å; K97-N99 VanDerWaalsContact C-N 3.3Å; K97-N99 PolarHBondContact O-N 3.32Å; K97-L100 PolarHBondContact O-N 3.04Å; K97-N101 PolarHBondContact O-N 2.95Å; K97-N101 VanDerWaalsContact O-N 3.14Å |
| 98 | D | 78.9 | Confident | 70.7 | Confident | 63 Ų | 63 | 92.6 Ų | 92.6 | 34% | 0.337 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -35 | 172.9 | -65.2 | -25.4 | 0 | 0 | 0 | 111.7 | S91 T94 G95 E96 N101 K102 | S91-D98 PolarHBondContact OG-OD2 3.22Å; T94-D98 PolarHBondContact O-N 3.05Å; T94-D98 VanDerWaalsContact O-N 3.14Å; G95-D98 CarbonylContact O-C 3.59Å; G95-D98 PolarHBondContact O-N 2.91Å; E96-D98 VanDerWaalsContact C-N 3.29Å; E96-D98 PolarHBondContact O-N 3.34Å; D98-N101 PolarHBondContact O-N 3.43Å; D98-K102 WeakPolarHBondContact O-CB 3.34Å; D98-K102 WeakPolarHBondContact O-CG 3.45Å; D98-K102 PolarHBondContact O-N 2.99Å |
| 99 | N | 84.3 | Confident | 73.3 | Confident | 66 Ų | 66 | 91 Ų | 91 | 35% | 0.353 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.7 | -43 | 177.6 | -67.1 | -24.7 | 0 | 0 | 0 | 111.6 | G95 E96 K97 N101 K102 L103 | G95-N99 WeakPolarHBondContact O-CB 3.47Å; G95-N99 PolarHBondContact O-N 2.99Å; G95-N99 PolarHBondContact O-ND2 3.05Å; G95-N99 PolarHBondContact O-OD1 2.98Å; E96-N99 WeakPolarHBondContact O-CB 3.34Å; E96-N99 PolarHBondContact O-N 3.41Å; E96-N99 VanDerWaalsContact O-N 3.14Å; K97-N99 VanDerWaalsContact C-N 3.3Å; K97-N99 PolarHBondContact O-N 3.32Å; N99-N101 VanDerWaalsContact C-N 3.31Å; N99-N101 PolarHBondContact O-N 3.4Å; N99-K102 PolarHBondContact O-N 2.83Å; N99-L103 WeakPolarHBondContact O-CG 3.42Å; N99-L103 PolarHBondContact O-N 2.79Å |
| 100 | L | 86.1 | Confident | 76.1 | Confident | 44 Ų | 44 | 82 Ų | 82 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 173.2 | -73.1 | 179.7 | 0 | 0 | 0 | 111.9 | E96 K97 K102 L103 S104 L126 H129 I133 | E96-L100 PolarHBondContact O-N 3.14Å; E96-L100 VanDerWaalsContact O-N 3.08Å; K97-L100 PolarHBondContact O-N 3.04Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-L103 PolarHBondContact O-N 3.04Å; L100-S104 PolarHBondContact O-N 2.89Å; L100-S104 PolarHBondContact O-OG 3.22Å; L100-L126 HydrophobicContact CD2-CD2 3.81Å; L100-H129 HydrophobicContact CD2-CB 3.7Å; L100-I133 HydrophobicContact CD1-CD1 3.63Å; L100-I133 HydrophobicContact CG-CD1 4.43Å |
| 101 | N | 90.3 | Very high | 78.8 | Confident | 112 Ų | 112 | 81 Ų | 81 | 60% | 0.599 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.4 | -35.4 | 177.8 | -168.6 | 32.8 | 0 | 0 | 0 | 112.4 | K97 D98 N99 S104 A105 | K97-N101 PolarHBondContact O-N 2.95Å; K97-N101 VanDerWaalsContact O-N 3.14Å; D98-N101 PolarHBondContact O-N 3.43Å; N99-N101 VanDerWaalsContact C-N 3.31Å; N99-N101 PolarHBondContact O-N 3.4Å; N101-S104 WeakPolarHBondContact CA-OG 3.21Å; N101-S104 PolarHBondContact O-OG 3.33Å; N101-A105 WeakPolarHBondContact O-CB 3.48Å; N101-A105 PolarHBondContact O-N 2.92Å |
| 102 | K | 93.7 | Very high | 81.5 | Confident | 122 Ų | 122 | 85.1 Ų | 85.1 | 53% | 0.53 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 172.7 | -73 | 167 | -172 | 173.7 | 0 | 111.3 | D98 N99 L100 A105 Q106 | D98-K102 WeakPolarHBondContact O-CB 3.34Å; D98-K102 WeakPolarHBondContact O-CG 3.45Å; D98-K102 PolarHBondContact O-N 2.99Å; N99-K102 PolarHBondContact O-N 2.83Å; L100-K102 VanDerWaalsContact C-N 3.35Å; K102-A105 PolarHBondContact O-N 2.89Å; K102-Q106 WeakPolarHBondContact O-CB 3.42Å; K102-Q106 VanDerWaalsContact O-CG 3.32Å; K102-Q106 WeakPolarHBondContact O-CG 3.32Å; K102-Q106 PolarHBondContact O-N 3.36Å |
| 103 | L | 92.2 | Very high | 84.3 | Confident | 22 Ų | 22 | 88 Ų | 88 | 12% | 0.115 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 178 | -74.2 | 173.2 | 0 | 0 | 0 | 111.7 | N99 L100 Q106 L107 L122 L126 | N99-L103 WeakPolarHBondContact O-CG 3.42Å; N99-L103 PolarHBondContact O-N 2.79Å; L100-L103 PolarHBondContact O-N 3.04Å; L103-Q106 PolarHBondContact O-N 3.42Å; L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 PolarHBondContact O-N 3.3Å; L103-L122 HydrophobicContact CD2-CD2 3.72Å; L103-L126 HydrophobicContact CB-CD2 3.65Å; L103-L126 HydrophobicContact CB-CG 4.11Å; L103-L126 HydrophobicContact CD1-CD2 3.99Å; L103-L126 HydrophobicContact CD1-CG 4.47Å; L103-L126 HydrophobicContact CG-CD2 4.49Å |
| 104 | S | 91.6 | Very high | 86.4 | Confident | 52 Ų | 52 | 82.4 Ų | 82.4 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 176.9 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | L100 N101 L107 L108 | L100-S104 PolarHBondContact O-N 2.89Å; L100-S104 PolarHBondContact O-OG 3.22Å; N101-S104 WeakPolarHBondContact CA-OG 3.21Å; N101-S104 PolarHBondContact O-OG 3.33Å; S104-L107 PolarHBondContact O-N 3.14Å; S104-L108 PolarHBondContact O-N 3.44Å |
| 105 | A | 94.8 | Very high | 88.6 | Confident | 44 Ų | 44 | 81.8 Ų | 81.8 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N101 K102 R109 | N101-A105 WeakPolarHBondContact O-CB 3.48Å; N101-A105 PolarHBondContact O-N 2.92Å; K102-A105 PolarHBondContact O-N 2.89Å; A105-R109 WeakPolarHBondContact O-CG 3.38Å; A105-R109 PolarHBondContact O-N 3.1Å; A105-R109 VanDerWaalsContact O-N 3.13Å |
| 106 | Q | 95.7 | Very high | 90.4 | Very high | 103 Ų | 103 | 85.7 Ų | 85.7 | 48% | 0.481 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 174.6 | -74.5 | -179.3 | 16.6 | 0 | 0 | 111.9 | K102 L103 L108 R109 A110 L122 | K102-Q106 WeakPolarHBondContact O-CB 3.42Å; K102-Q106 VanDerWaalsContact O-CG 3.32Å; K102-Q106 WeakPolarHBondContact O-CG 3.32Å; K102-Q106 PolarHBondContact O-N 3.36Å; L103-Q106 PolarHBondContact O-N 3.42Å; Q106-L108 VanDerWaalsContact C-N 3.33Å; Q106-L108 PolarHBondContact O-N 3.08Å; Q106-R109 PolarHBondContact O-N 3.12Å; Q106-A110 WeakPolarHBondContact O-CB 3.42Å; Q106-A110 PolarHBondContact O-N 3.04Å; Q106-L122 HydrophobicContact CB-CD1 4.01Å; Q106-L122 HydrophobicContact CB-CD2 4.43Å |
| 107 | L | 96.1 | Very high | 91.9 | Very high | 33 Ų | 33 | 85.7 Ų | 85.7 | 17% | 0.173 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 176.5 | 178.8 | 66.7 | 0 | 0 | 0 | 110.6 | L103 S104 R109 A110 E111 V119 L122 K123 L126 | L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 PolarHBondContact O-N 3.3Å; S104-L107 PolarHBondContact O-N 3.14Å; L107-R109 PolarHBondContact O-N 3.39Å; L107-A110 PolarHBondContact O-N 3.1Å; L107-E111 WeakPolarHBondContact O-CB 3.48Å; L107-E111 PolarHBondContact O-N 3.38Å; L107-V119 HydrophobicContact CD1-CB 4.25Å; L107-V119 HydrophobicContact CD1-CG1 3.89Å; L107-V119 HydrophobicContact CD1-CG2 4.34Å; L107-L122 HydrophobicContact CB-CB 4.37Å; L107-L122 HydrophobicContact CB-CD1 4.3Å; L107-L122 HydrophobicContact CD1-CB 3.92Å; L107-K123 HydrophobicContact CD1-CG 4.01Å; L107-K123 HydrophobicContact CD2-CG 4.35Å; L107-L126 HydrophobicContact CD2-CD1 3.94Å |
| 108 | L | 97 | Very high | 93.1 | Very high | 111 Ų | 111 | 81.2 Ų | 81.2 | 58% | 0.581 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60 | -44.5 | 176.6 | 179.8 | 62.6 | 0 | 0 | 0 | 111.9 | S104 Q106 E111 I112 | S104-L108 PolarHBondContact O-N 3.44Å; Q106-L108 VanDerWaalsContact C-N 3.33Å; Q106-L108 PolarHBondContact O-N 3.08Å; L108-E111 PolarHBondContact O-N 2.95Å; L108-I112 HydrophobicContact CD1-CD1 4.08Å; L108-I112 HydrophobicContact CD1-CG1 4.46Å; L108-I112 HydrophobicContact CG-CD1 4.02Å; L108-I112 VanDerWaalsContact O-CG1 3.31Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.39Å |
| 109 | R | 97 | Very high | 93.9 | Very high | 179 Ų | 179 | 78.7 Ų | 78.7 | 68% | 0.675 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.8 | -44.1 | 176.1 | -71.4 | 178 | -173.2 | -149.8 | 2.1 | 111.7 | A105 Q106 L107 E111 I112 M113 | A105-R109 WeakPolarHBondContact O-CG 3.38Å; A105-R109 PolarHBondContact O-N 3.1Å; A105-R109 VanDerWaalsContact O-N 3.13Å; Q106-R109 PolarHBondContact O-N 3.12Å; L107-R109 PolarHBondContact O-N 3.39Å; R109-E111 VanDerWaalsContact C-N 3.34Å; R109-E111 PolarHBondContact O-N 3.34Å; R109-I112 PolarHBondContact O-N 2.89Å; R109-M113 WeakPolarHBondContact O-CB 3.26Å; R109-M113 VanDerWaalsContact O-CG 3.23Å; R109-M113 WeakPolarHBondContact O-CG 3.47Å; R109-M113 PolarHBondContact O-N 3.48Å |
| 110 | A | 95.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 82.8 Ų | 82.8 | 3% | 0.025 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.4 | -38.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q106 L107 M113 G114 N115 L118 V119 L122 | Q106-A110 WeakPolarHBondContact O-CB 3.42Å; Q106-A110 PolarHBondContact O-N 3.04Å; L107-A110 PolarHBondContact O-N 3.1Å; A110-M113 PolarHBondContact O-N 3.3Å; A110-G114 PolarHBondContact O-N 3.34Å; A110-G114 VanDerWaalsContact O-N 3.1Å; A110-N115 PolarHBondContact O-N 3.44Å; A110-L118 HydrophobicContact CB-CB 4.26Å; A110-L118 HydrophobicContact CB-CD2 3.73Å; A110-L118 HydrophobicContact CB-CG 3.93Å; A110-V119 HydrophobicContact CB-CG2 3.77Å; A110-L122 HydrophobicContact CB-CD1 4.19Å |
| 111 | E | 94.8 | Very high | 94.8 | Very high | 111 Ų | 111 | 87.2 Ų | 87.2 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 175.9 | -162.7 | 73.4 | -154.2 | 0 | 0 | 111.1 | L107 L108 R109 M113 G114 V119 | L107-E111 WeakPolarHBondContact O-CB 3.48Å; L107-E111 PolarHBondContact O-N 3.38Å; L108-E111 PolarHBondContact O-N 2.95Å; R109-E111 VanDerWaalsContact C-N 3.34Å; R109-E111 PolarHBondContact O-N 3.34Å; E111-M113 VanDerWaalsContact C-N 3.27Å; E111-M113 PolarHBondContact O-N 3.26Å; E111-G114 PolarHBondContact O-N 3.07Å; E111-V119 HydrophobicContact CB-CG2 4.35Å; E111-V119 WeakPolarHBondContact OE2-CG1 3.42Å; E111-V119 VanDerWaalsContact OE2-CG2 3.31Å; E111-V119 WeakPolarHBondContact OE2-CG2 3.47Å |
| 112 | I | 97.2 | Very high | 95.1 | Very high | 134 Ų | 134 | 82.2 Ų | 82.2 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.9 | -37.2 | 176.5 | -67.2 | 166.7 | 0 | 0 | 0 | 111.2 | L108 R109 G114 | L108-I112 HydrophobicContact CD1-CD1 4.08Å; L108-I112 HydrophobicContact CD1-CG1 4.46Å; L108-I112 HydrophobicContact CG-CD1 4.02Å; L108-I112 VanDerWaalsContact O-CG1 3.31Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.39Å; R109-I112 PolarHBondContact O-N 2.89Å; I112-G114 PolarHBondContact O-N 2.7Å |
| 113 | M | 96.6 | Very high | 95.1 | Very high | 156 Ų | 156 | 81.6 Ų | 81.6 | 77% | 0.768 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -9.4 | 175.9 | -70.3 | 178.9 | 71 | 0 | 0 | 113.5 | R109 A110 E111 N115 | R109-M113 WeakPolarHBondContact O-CB 3.26Å; R109-M113 VanDerWaalsContact O-CG 3.23Å; R109-M113 WeakPolarHBondContact O-CG 3.47Å; R109-M113 PolarHBondContact O-N 3.48Å; A110-M113 PolarHBondContact O-N 3.3Å; E111-M113 VanDerWaalsContact C-N 3.27Å; E111-M113 PolarHBondContact O-N 3.26Å; M113-N115 VanDerWaalsContact C-N 3.31Å; M113-N115 PolarHBondContact O-N 3Å |
| 114 | G | 94.4 | Very high | 95.1 | Very high | 54 Ų | 54 | 84.5 Ų | 84.5 | 56% | 0.557 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 19.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A110 E111 I112 V116 | A110-G114 PolarHBondContact O-N 3.34Å; A110-G114 VanDerWaalsContact O-N 3.1Å; E111-G114 PolarHBondContact O-N 3.07Å; I112-G114 PolarHBondContact O-N 2.7Å; G114-V116 PolarHBondContact O-N 2.8Å; G114-V116 VanDerWaalsContact O-N 3.12Å |
| 115 | N | 95.9 | Very high | 95.1 | Very high | 72 Ų | 72 | 85.7 Ų | 85.7 | 39% | 0.385 | 44% | 0.439 | S | S | . | . | trans | -85.8 | 83.1 | 179.9 | -170.8 | -19.7 | 0 | 0 | 0 | 111.4 | A110 M113 A117 L118 V119 | A110-N115 PolarHBondContact O-N 3.44Å; M113-N115 VanDerWaalsContact C-N 3.31Å; M113-N115 PolarHBondContact O-N 3Å; N115-A117 VanDerWaalsContact C-N 3.26Å; N115-A117 PolarHBondContact O-N 2.88Å; N115-A117 PolarHBondContact OD1-N 3.48Å; N115-L118 HydrophobicContact CB-CB 4.17Å; N115-L118 PolarHBondContact O-N 3.03Å; N115-L118 PolarHBondContact OD1-N 3.38Å; N115-L118 VanDerWaalsContact OD1-N 3.12Å; N115-V119 WeakPolarHBondContact O-CG2 3.31Å; N115-V119 PolarHBondContact O-N 3.17Å | ||
| 116 | V | 94.2 | Very high | 94.9 | Very high | 99 Ų | 99 | 84.8 Ų | 84.8 | 60% | 0.6 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.5 | -34.7 | -177 | -176.2 | 0 | 0 | 0 | 0 | 113 | G114 R120 | G114-V116 PolarHBondContact O-N 2.8Å; G114-V116 VanDerWaalsContact O-N 3.12Å; V116-R120 PolarHBondContact O-N 3.14Å; V116-R120 VanDerWaalsContact O-N 3.08Å |
| 117 | A | 94.8 | Very high | 94.5 | Very high | 53 Ų | 53 | 85.9 Ų | 85.9 | 44% | 0.438 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.5 | -40.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N115 K121 | N115-A117 VanDerWaalsContact C-N 3.26Å; N115-A117 PolarHBondContact O-N 2.88Å; N115-A117 PolarHBondContact OD1-N 3.48Å; A117-K121 WeakPolarHBondContact O-CG 3.39Å; A117-K121 PolarHBondContact O-N 3.14Å |
| 118 | L | 94.2 | Very high | 93.8 | Very high | 73 Ų | 73 | 88.5 Ų | 88.5 | 38% | 0.382 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.4 | -41.3 | 176.5 | -177.9 | 60.2 | 0 | 0 | 0 | 111.4 | A110 N115 R120 K121 L122 | A110-L118 HydrophobicContact CB-CB 4.26Å; A110-L118 HydrophobicContact CB-CD2 3.73Å; A110-L118 HydrophobicContact CB-CG 3.93Å; N115-L118 HydrophobicContact CB-CB 4.17Å; N115-L118 PolarHBondContact O-N 3.03Å; N115-L118 PolarHBondContact OD1-N 3.38Å; N115-L118 VanDerWaalsContact OD1-N 3.12Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.38Å; L118-K121 PolarHBondContact O-N 3.05Å; L118-L122 HydrophobicContact CD1-CD1 4.14Å; L118-L122 HydrophobicContact CD1-CG 4.15Å; L118-L122 HydrophobicContact CD2-CD1 4.46Å; L118-L122 HydrophobicContact CG-CD1 3.84Å; L118-L122 HydrophobicContact CG-CG 4.3Å; L118-L122 WeakPolarHBondContact O-CG 3.4Å; L118-L122 PolarHBondContact O-N 3.48Å |
| 119 | V | 94.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 85.5 Ų | 85.5 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -56.1 | -44.7 | 175.5 | 166.5 | 0 | 0 | 0 | 0 | 111.4 | L107 A110 E111 N115 L122 K123 | L107-V119 HydrophobicContact CD1-CB 4.25Å; L107-V119 HydrophobicContact CD1-CG1 3.89Å; L107-V119 HydrophobicContact CD1-CG2 4.34Å; A110-V119 HydrophobicContact CB-CG2 3.77Å; E111-V119 HydrophobicContact CB-CG2 4.35Å; E111-V119 WeakPolarHBondContact OE2-CG1 3.42Å; E111-V119 VanDerWaalsContact OE2-CG2 3.31Å; E111-V119 WeakPolarHBondContact OE2-CG2 3.47Å; N115-V119 WeakPolarHBondContact O-CG2 3.31Å; N115-V119 PolarHBondContact O-N 3.17Å; V119-L122 PolarHBondContact O-N 3.04Å; V119-K123 HydrophobicContact CG1-CD 4.1Å; V119-K123 WeakPolarHBondContact O-CG 3.44Å; V119-K123 PolarHBondContact O-N 3.46Å |
| 120 | R | 95.5 | Very high | 92.5 | Very high | 152 Ų | 152 | 85.4 Ų | 85.4 | 57% | 0.574 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.2 | -51.1 | 177.6 | -168.8 | -176.2 | -58.9 | 128.9 | 2.2 | 111.3 | V116 L118 L122 K123 D124 | V116-R120 PolarHBondContact O-N 3.14Å; V116-R120 VanDerWaalsContact O-N 3.08Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.38Å; R120-L122 PolarHBondContact O-N 3.22Å; R120-K123 PolarHBondContact O-N 3.45Å; R120-D124 VanDerWaalsContact O-CG 3.23Å; R120-D124 PolarHBondContact O-N 3.45Å |
| 121 | K | 94.6 | Very high | 91.5 | Very high | 137 Ų | 137 | 87.9 Ų | 87.9 | 60% | 0.596 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -57.7 | -46.2 | 178.1 | -68.2 | -179.9 | 178.7 | -172.7 | 0 | 112.4 | A117 L118 K123 D124 D125 | A117-K121 WeakPolarHBondContact O-CG 3.39Å; A117-K121 PolarHBondContact O-N 3.14Å; L118-K121 PolarHBondContact O-N 3.05Å; K121-K123 VanDerWaalsContact C-N 3.32Å; K121-K123 PolarHBondContact O-N 2.96Å; K121-D124 PolarHBondContact O-N 3.43Å; K121-D125 VanDerWaalsContact O-CG 3.29Å; K121-D125 PolarHBondContact O-N 3.26Å |
| 122 | L | 95.5 | Very high | 90.7 | Very high | 6 Ų | 6 | 89.8 Ų | 89.8 | 3% | 0.031 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67 | -32.4 | -179.6 | -70.6 | 173.1 | 0 | 0 | 0 | 112.8 | L103 Q106 L107 A110 L118 V119 R120 L126 | L103-L122 HydrophobicContact CD2-CD2 3.72Å; Q106-L122 HydrophobicContact CB-CD1 4.01Å; Q106-L122 HydrophobicContact CB-CD2 4.43Å; L107-L122 HydrophobicContact CB-CB 4.37Å; L107-L122 HydrophobicContact CB-CD1 4.3Å; L107-L122 HydrophobicContact CD1-CB 3.92Å; A110-L122 HydrophobicContact CB-CD1 4.19Å; L118-L122 HydrophobicContact CD1-CD1 4.14Å; L118-L122 HydrophobicContact CD1-CG 4.15Å; L118-L122 HydrophobicContact CD2-CD1 4.46Å; L118-L122 HydrophobicContact CG-CD1 3.84Å; L118-L122 HydrophobicContact CG-CG 4.3Å; L118-L122 WeakPolarHBondContact O-CG 3.4Å; L118-L122 PolarHBondContact O-N 3.48Å; V119-L122 PolarHBondContact O-N 3.04Å; R120-L122 PolarHBondContact O-N 3.22Å; L122-L126 WeakPolarHBondContact O-CB 3.26Å; L122-L126 WeakPolarHBondContact O-CG 3.31Å; L122-L126 PolarHBondContact O-N 3.39Å |
| 123 | K | 93.7 | Very high | 89.4 | Confident | 110 Ų | 110 | 85.2 Ų | 85.2 | 48% | 0.478 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 172.3 | -76.6 | 177 | 178.2 | 173.7 | 0 | 111.2 | L107 V119 R120 K121 L126 Q127 | L107-K123 HydrophobicContact CD1-CG 4.01Å; L107-K123 HydrophobicContact CD2-CG 4.35Å; V119-K123 HydrophobicContact CG1-CD 4.1Å; V119-K123 WeakPolarHBondContact O-CG 3.44Å; V119-K123 PolarHBondContact O-N 3.46Å; R120-K123 PolarHBondContact O-N 3.45Å; K121-K123 VanDerWaalsContact C-N 3.32Å; K121-K123 PolarHBondContact O-N 2.96Å; K123-L126 PolarHBondContact O-N 2.99Å; K123-Q127 PolarHBondContact O-N 3.05Å |
| 124 | D | 92.9 | Very high | 87.8 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 177.2 | -60 | -21.7 | 0 | 0 | 0 | 110.7 | R120 K121 L126 Q127 C128 | R120-D124 VanDerWaalsContact O-CG 3.23Å; R120-D124 PolarHBondContact O-N 3.45Å; K121-D124 PolarHBondContact O-N 3.43Å; D124-L126 PolarHBondContact O-N 3.25Å; D124-Q127 WeakPolarHBondContact O-CB 3.44Å; D124-Q127 PolarHBondContact O-N 3.25Å; D124-Q127 VanDerWaalsContact O-N 3.14Å; D124-C128 PolarHBondContact O-N 2.94Å; D124-C128 PolarHBondContact O-SG 3.47Å; D124-C128 VanDerWaalsContact O-SG 3.4Å |
| 125 | D | 91.9 | Very high | 86.1 | Confident | 77 Ų | 77 | 89 Ų | 89 | 41% | 0.412 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 176.4 | -70.3 | -17.8 | 0 | 0 | 0 | 112 | K121 Q127 C128 H129 | K121-D125 VanDerWaalsContact O-CG 3.29Å; K121-D125 PolarHBondContact O-N 3.26Å; D125-Q127 VanDerWaalsContact C-N 3.29Å; D125-Q127 PolarHBondContact O-N 2.95Å; D125-C128 PolarHBondContact O-N 2.91Å; D125-H129 PolarHBondContact O-CD2 2.94Å; D125-H129 PolarHBondContact O-N 3.37Å |
| 126 | L | 89.7 | Confident | 84.3 | Confident | 25 Ų | 25 | 89 Ų | 89 | 13% | 0.131 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63 | -35.3 | 175.8 | -80 | 175.6 | 0 | 0 | 0 | 112.4 | L100 L103 L107 L122 K123 D124 R130 | L100-L126 HydrophobicContact CD2-CD2 3.81Å; L103-L126 HydrophobicContact CB-CD2 3.65Å; L103-L126 HydrophobicContact CB-CG 4.11Å; L103-L126 HydrophobicContact CD1-CD2 3.99Å; L103-L126 HydrophobicContact CD1-CG 4.47Å; L103-L126 HydrophobicContact CG-CD2 4.49Å; L107-L126 HydrophobicContact CD2-CD1 3.94Å; L122-L126 WeakPolarHBondContact O-CB 3.26Å; L122-L126 WeakPolarHBondContact O-CG 3.31Å; L122-L126 PolarHBondContact O-N 3.39Å; K123-L126 PolarHBondContact O-N 2.99Å; D124-L126 PolarHBondContact O-N 3.25Å; L126-R130 WeakPolarHBondContact O-CG 3.35Å; L126-R130 PolarHBondContact O-N 3.04Å; L126-R130 VanDerWaalsContact O-N 3.1Å |
| 127 | Q | 87.6 | Confident | 82.5 | Confident | 127 Ų | 127 | 91.5 Ų | 91.5 | 59% | 0.593 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.7 | -45.6 | 175.6 | -173.4 | 174.6 | -6.4 | 0 | 0 | 111 | K123 D124 D125 H129 R130 S131 | K123-Q127 PolarHBondContact O-N 3.05Å; D124-Q127 WeakPolarHBondContact O-CB 3.44Å; D124-Q127 PolarHBondContact O-N 3.25Å; D124-Q127 VanDerWaalsContact O-N 3.14Å; D125-Q127 VanDerWaalsContact C-N 3.29Å; D125-Q127 PolarHBondContact O-N 2.95Å; Q127-H129 VanDerWaalsContact C-N 3.32Å; Q127-H129 PolarHBondContact O-N 3.49Å; Q127-R130 PolarHBondContact O-N 3.28Å; Q127-R130 VanDerWaalsContact O-N 3.12Å; Q127-S131 PolarHBondContact O-N 2.9Å; Q127-S131 PolarHBondContact O-OG 3.45Å |
| 128 | C | 83 | Confident | 80.6 | Confident | 87 Ų | 87 | 92.6 Ų | 92.6 | 59% | 0.588 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57.9 | -42.9 | 175.5 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | D124 D125 R132 | D124-C128 PolarHBondContact O-N 2.94Å; D124-C128 PolarHBondContact O-SG 3.47Å; D124-C128 VanDerWaalsContact O-SG 3.4Å; D125-C128 PolarHBondContact O-N 2.91Å; C128-R132 PolarHBondContact O-N 2.93Å; C128-R132 VanDerWaalsContact O-N 3.1Å |
| 129 | H | 82.2 | Confident | 78.5 | Confident | 49 Ų | 49 | 92.3 Ų | 92.3 | 23% | 0.227 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 175.7 | -82.5 | -71.2 | 0 | 0 | 0 | 112.8 | L100 D125 Q127 R132 I133 | L100-H129 HydrophobicContact CD2-CB 3.7Å; D125-H129 PolarHBondContact O-CD2 2.94Å; D125-H129 PolarHBondContact O-N 3.37Å; Q127-H129 VanDerWaalsContact C-N 3.32Å; Q127-H129 PolarHBondContact O-N 3.49Å; H129-R132 PolarHBondContact O-N 3.07Å; H129-I133 WeakPolarHBondContact O-CD1 3.27Å; H129-I133 VanDerWaalsContact O-CG1 3.26Å; H129-I133 WeakPolarHBondContact O-CG1 3.48Å; H129-I133 PolarHBondContact O-N 3.23Å |
| 130 | R | 82.5 | Confident | 76.4 | Confident | 176 Ų | 176 | 97.8 Ų | 97.8 | 66% | 0.664 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.9 | -46.1 | 176.9 | -76.4 | 174.6 | -179.2 | -165.3 | 0.9 | 111.9 | L126 Q127 R132 I133 E134 | L126-R130 WeakPolarHBondContact O-CG 3.35Å; L126-R130 PolarHBondContact O-N 3.04Å; L126-R130 VanDerWaalsContact O-N 3.1Å; Q127-R130 PolarHBondContact O-N 3.28Å; Q127-R130 VanDerWaalsContact O-N 3.12Å; R130-R132 VanDerWaalsContact C-N 3.31Å; R130-R132 PolarHBondContact O-N 3.5Å; R130-I133 PolarHBondContact O-N 3.18Å; R130-E134 PolarHBondContact O-N 3.37Å |
| 131 | S | 75.7 | Confident | 74 | Confident | 56 Ų | 56 | 95.6 Ų | 95.6 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 176.7 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | Q127 I133 E134 E135 | Q127-S131 PolarHBondContact O-N 2.9Å; Q127-S131 PolarHBondContact O-OG 3.45Å; S131-I133 PolarHBondContact O-N 3.36Å; S131-E134 PolarHBondContact O-N 3.2Å; S131-E135 WeakPolarHBondContact O-CG 3.49Å; S131-E135 PolarHBondContact O-N 2.81Å |
| 132 | R | 77.9 | Confident | 71.6 | Confident | 150 Ų | 150 | 98.1 Ų | 98.1 | 57% | 0.566 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 175.2 | -177.4 | 179.2 | 170.9 | 172 | -0.4 | 113.1 | C128 H129 R130 E134 E135 E136 | C128-R132 PolarHBondContact O-N 2.93Å; C128-R132 VanDerWaalsContact O-N 3.1Å; H129-R132 PolarHBondContact O-N 3.07Å; R130-R132 VanDerWaalsContact C-N 3.31Å; R130-R132 PolarHBondContact O-N 3.5Å; R132-E134 VanDerWaalsContact C-N 3.32Å; R132-E135 PolarHBondContact O-N 2.83Å; R132-E136 WeakPolarHBondContact O-CB 3.36Å; R132-E136 PolarHBondContact O-N 2.68Å |
| 133 | I | 69.5 | Low | 69 | Low | 39 Ų | 39 | 106.3 Ų | 106.3 | 20% | 0.2 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -67.7 | -36.1 | 177.9 | -68.3 | 164.6 | 0 | 0 | 0 | 110.9 | L100 H129 R130 S131 E136 K137 | L100-I133 HydrophobicContact CD1-CD1 3.63Å; L100-I133 HydrophobicContact CG-CD1 4.43Å; H129-I133 WeakPolarHBondContact O-CD1 3.27Å; H129-I133 VanDerWaalsContact O-CG1 3.26Å; H129-I133 WeakPolarHBondContact O-CG1 3.48Å; H129-I133 PolarHBondContact O-N 3.23Å; R130-I133 PolarHBondContact O-N 3.18Å; S131-I133 PolarHBondContact O-N 3.36Å; I133-E136 PolarHBondContact O-N 3.31Å; I133-K137 HydrophobicContact CG2-CD 4.24Å; I133-K137 HydrophobicContact CG2-CG 4.45Å; I133-K137 WeakPolarHBondContact O-CB 3.38Å; I133-K137 VanDerWaalsContact O-CG 3.31Å; I133-K137 WeakPolarHBondContact O-CG 3.43Å; I133-K137 PolarHBondContact O-N 3.34Å |
| 134 | E | 63.2 | Low | 66.7 | Low | 141 Ų | 141 | 107.2 Ų | 107.2 | 66% | 0.659 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.9 | -43.6 | 176.1 | -169.6 | 167.6 | -163.2 | 0 | 0 | 111.5 | R130 S131 R132 K137 A138 | R130-E134 PolarHBondContact O-N 3.37Å; S131-E134 PolarHBondContact O-N 3.2Å; R132-E134 VanDerWaalsContact C-N 3.32Å; E134-K137 PolarHBondContact O-N 3.39Å; E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 2.99Å |
| 135 | E | 59.1 | Low | 64.5 | Low | 147 Ų | 147 | 113.2 Ų | 113.2 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62 | -43 | 173 | -72.1 | -180 | -177.4 | 0 | 0 | 112.3 | S131 R132 K137 A138 G139 | S131-E135 WeakPolarHBondContact O-CG 3.49Å; S131-E135 PolarHBondContact O-N 2.81Å; R132-E135 PolarHBondContact O-N 2.83Å; E135-K137 PolarHBondContact O-N 2.83Å; E135-A138 PolarHBondContact O-N 3.23Å; E135-G139 PolarHBondContact O-N 3.39Å |
| 136 | E | 58.2 | Low | 62.4 | Low | 74 Ų | 74 | 116 Ų | 116 | 35% | 0.346 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.7 | -36.2 | 178.9 | -167.7 | 179.2 | 162.6 | 0 | 0 | 112.2 | R132 I133 G139 K140 | R132-E136 WeakPolarHBondContact O-CB 3.36Å; R132-E136 PolarHBondContact O-N 2.68Å; I133-E136 PolarHBondContact O-N 3.31Å; E136-G139 PolarHBondContact O-N 3.27Å; E136-K140 HydrophobicContact CG-CD 4.19Å; E136-K140 WeakPolarHBondContact O-CB 3.37Å; E136-K140 PolarHBondContact O-N 3.33Å; E136-K140 IonicContact OE1-NZ 2.61Å; E136-K140 PolarHBondContact OE1-NZ 2.71Å |
| 137 | K | 55.8 | Low | 60.2 | Low | 151 Ų | 151 | 117.7 Ų | 117.7 | 66% | 0.657 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.8 | -37.9 | 174.1 | -76.8 | -176.7 | 178.6 | -174.1 | 0 | 112.3 | I133 E134 E135 G139 K140 S141 | I133-K137 HydrophobicContact CG2-CD 4.24Å; I133-K137 HydrophobicContact CG2-CG 4.45Å; I133-K137 WeakPolarHBondContact O-CB 3.38Å; I133-K137 VanDerWaalsContact O-CG 3.31Å; I133-K137 WeakPolarHBondContact O-CG 3.43Å; I133-K137 PolarHBondContact O-N 3.34Å; E134-K137 PolarHBondContact O-N 3.39Å; E135-K137 PolarHBondContact O-N 2.83Å; K137-G139 VanDerWaalsContact C-N 3.33Å; K137-K140 PolarHBondContact O-N 3.38Å; K137-S141 PolarHBondContact O-N 3.26Å |
| 138 | A | 55.2 | Low | 58.6 | Low | 76 Ų | 76 | 117.8 Ų | 117.8 | 63% | 0.628 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.9 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E134 E135 | E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 2.99Å; E135-A138 PolarHBondContact O-N 3.23Å |
| 139 | G | 50.8 | Low | 57.1 | Low | 67 Ų | 67 | 116.9 Ų | 116.9 | 69% | 0.691 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.8 | -23.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E135 E136 K137 | E135-G139 PolarHBondContact O-N 3.39Å; E136-G139 PolarHBondContact O-N 3.27Å; K137-G139 VanDerWaalsContact C-N 3.33Å |
| 140 | K | 49.1 | Very low | 55.7 | Low | 124 Ų | 124 | 121.3 Ų | 121.3 | 54% | 0.539 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -94.9 | -0.3 | 178.8 | -82.3 | 175.5 | 175.7 | 169.9 | 0 | 114.7 | E136 K137 E142 | E136-K140 HydrophobicContact CG-CD 4.19Å; E136-K140 WeakPolarHBondContact O-CB 3.37Å; E136-K140 PolarHBondContact O-N 3.33Å; E136-K140 IonicContact OE1-NZ 2.61Å; E136-K140 PolarHBondContact OE1-NZ 2.71Å; K137-K140 PolarHBondContact O-N 3.38Å; K140-E142 PolarHBondContact O-N 3.45Å |
| 141 | S | 45.8 | Very low | 54.3 | Low | 106 Ų | 106 | 116.9 Ų | 116.9 | 74% | 0.741 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -7.9 | -178.1 | -167.7 | 0 | 0 | 0 | 0 | 114.2 | K137 | K137-S141 PolarHBondContact O-N 3.26Š|
| 142 | E | 45 | Very low | 53.3 | Low | 190 Ų | 190 | 121.4 Ų | 121.4 | 89% | 0.888 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -12.3 | -177.3 | -100.9 | -176.5 | 162.8 | 0 | 0 | 116.7 | K140 | K140-E142 PolarHBondContact O-N 3.45Š|
| 143 | E | 40.7 | Very low | 51.9 | Low | 179 Ų | 179 | 120.4 Ų | 120.4 | 84% | 0.836 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | 5.8 | -166.4 | -113.9 | 177.7 | -176.7 | 0 | 0 | 119.9 | K145 | E143-K145 PolarHBondContact O-N 3.17Š|
| 144 | L | 44.3 | Very low | 51.1 | Low | 129 Ų | 129 | 123.7 Ų | 123.7 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | trans | -105.7 | 74.1 | 173.3 | -74.3 | 164.2 | 0 | 0 | 0 | 111.6 | D146 | L144-D146 HydrophobicContact CD2-CB 4.23Å; L144-D146 PolarHBondContact O-N 2.64Å; L144-D146 VanDerWaalsContact O-N 3.16Å | ||
| 145 | K | 48.1 | Very low | 50.9 | Low | 208 Ų | 208 | 120.9 Ų | 120.9 | 90% | 0.904 | 66% | 0.664 | S | S | * | * | trans | -72 | 24.7 | 155.4 | -71.2 | -128.9 | -179.4 | -175.9 | 0 | 112.7 | E143 G147 | E143-K145 PolarHBondContact O-N 3.17Å; K145-G147 PolarHBondContact O-N 3.47Å | ||
| 146 | D | 46.6 | Very low | 50.8 | Low | 134 Ų | 134 | 122.6 Ų | 122.6 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | trans | -83.5 | 70.5 | 169.6 | -81 | -10.2 | 0 | 0 | 0 | 108.7 | L144 V148 | L144-D146 HydrophobicContact CD2-CB 4.23Å; L144-D146 PolarHBondContact O-N 2.64Å; L144-D146 VanDerWaalsContact O-N 3.16Å; D146-V148 PolarHBondContact O-N 3.49Å | ||
| 147 | G | 44.9 | Very low | 50.8 | Low | 61 Ų | 61 | 127.2 Ų | 127.2 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | trans | -55.1 | 125.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | K145 A149 | K145-G147 PolarHBondContact O-N 3.47Å; G147-A149 VanDerWaalsContact C-N 3.32Å; G147-A149 PolarHBondContact O-N 2.95Å | ||
| 148 | V | 52.2 | Low | 50.6 | Low | 130 Ų | 130 | 122.2 Ų | 122.2 | 79% | 0.788 | 68% | 0.684 | S | S | * | * | trans | -65.8 | 96.6 | 176 | -177.8 | 0 | 0 | 0 | 0 | 107.2 | D146 L150 | D146-V148 PolarHBondContact O-N 3.49Å; V148-L150 PolarHBondContact O-N 3.33Å | ||
| 149 | A | 51.8 | Low | 50.5 | Low | 68 Ų | 68 | 122.1 Ų | 122.1 | 56% | 0.562 | 68% | 0.676 | S | S | * | * | trans | -63.3 | 106 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | G147 V151 | G147-A149 VanDerWaalsContact C-N 3.32Å; G147-A149 PolarHBondContact O-N 2.95Å; A149-V151 PolarHBondContact O-N 3.29Å; A149-V151 VanDerWaalsContact O-N 3.1Å | ||
| 150 | L | 53 | Low | 50.3 | Low | 141 Ų | 141 | 125.8 Ų | 125.8 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | trans | -65.6 | 110.2 | 171.6 | -69.3 | 172.5 | 0 | 0 | 0 | 108.5 | V148 K152 A163 | V148-L150 PolarHBondContact O-N 3.33Å; L150-K152 PolarHBondContact O-N 3.01Å; L150-A163 WeakPolarHBondContact O-CB 3.3Å | ||
| 151 | V | 52.8 | Low | 50.6 | Low | 83 Ų | 83 | 124.3 Ų | 124.3 | 50% | 0.503 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.2 | 114.3 | 176.5 | -180 | 0 | 0 | 0 | 0 | 108.8 | A149 F153 F160 | A149-V151 PolarHBondContact O-N 3.29Å; A149-V151 VanDerWaalsContact O-N 3.1Å; V151-F153 PolarHBondContact O-N 3.43Å; V151-F160 HydrophobicContact CG1-CB 3.82Å; V151-F160 HydrophobicContact CG1-CD1 3.87Å; V151-F160 HydrophobicContact CG1-CG 4.32Å |
| 152 | K | 56.1 | Low | 51 | Low | 151 Ų | 151 | 123.9 Ų | 123.9 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.2 | 112.8 | 172.9 | -169.3 | 172.2 | 177.8 | 175.3 | 0 | 109.2 | L150 H154 | L150-K152 PolarHBondContact O-N 3.01Å; K152-H154 PolarHBondContact O-N 3.44Å |
| 153 | F | 48.5 | Very low | 51.4 | Low | 129 Ų | 129 | 116.6 Ų | 116.6 | 57% | 0.566 | 64% | 0.641 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 112.5 | 177.4 | -176.2 | -104.1 | 0 | 0 | 0 | 110.9 | V151 A155 F160 | V151-F153 PolarHBondContact O-N 3.43Å; F153-A155 HydrophobicContact CD1-CB 4.11Å; F153-A155 HydrophobicContact CE1-CB 3.86Å; F153-A155 PolarHBondContact O-N 3.14Å; F153-F160 HydrophobicContact CD2-CD1 4.3Å; F153-F160 AromaticContact CD2-CE1 3.9Å; F153-F160 HydrophobicContact CD2-CE1 3.9Å; F153-F160 HydrophobicContact CE2-CE1 4.16Å |
| 154 | H | 51.7 | Low | 52 | Low | 109 Ų | 109 | 112.2 Ų | 112.2 | 51% | 0.505 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 93.3 | 172 | -121.4 | -76.4 | 0 | 0 | 0 | 109.8 | K152 M156 K157 G158 | K152-H154 PolarHBondContact O-N 3.44Å; H154-M156 PolarHBondContact O-N 3.15Å; H154-K157 PolarHBondContact O-N 2.93Å; H154-G158 PolarHBondContact O-N 2.81Å |
| 155 | A | 58.7 | Low | 52.3 | Low | 82 Ų | 82 | 113.9 Ų | 113.9 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -22.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F153 | F153-A155 HydrophobicContact CD1-CB 4.11Å; F153-A155 HydrophobicContact CE1-CB 3.86Å; F153-A155 PolarHBondContact O-N 3.14Å |
| 156 | M | 57.8 | Low | 52.3 | Low | 183 Ų | 183 | 108.8 Ų | 108.8 | 90% | 0.901 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -21.8 | 179.4 | -73.1 | -169.9 | 73.3 | 0 | 0 | 114.7 | H154 | H154-M156 PolarHBondContact O-N 3.15Š|
| 157 | K | 57.5 | Low | 52.5 | Low | 170 Ų | 170 | 107 Ų | 107 | 74% | 0.739 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | -4.9 | -172.4 | -142.5 | 121.8 | -179.7 | -174.5 | 0 | 114.2 | H154 T159 | H154-K157 PolarHBondContact O-N 2.93Å; K157-T159 PolarHBondContact O-N 3.31Å |
| 158 | G | 51.4 | Low | 53.1 | Low | 47 Ų | 47 | 112 Ų | 112 | 49% | 0.485 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 60.9 | 15.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H154 | H154-G158 PolarHBondContact O-N 2.81Š|
| 159 | T | 53.7 | Low | 53.4 | Low | 74 Ų | 74 | 112.4 Ų | 112.4 | 45% | 0.454 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 140.1 | 178.8 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | K157 | K157-T159 PolarHBondContact O-N 3.31Å |
| 160 | F | 47.3 | Very low | 53.7 | Low | 143 Ų | 143 | 117 Ų | 117 | 63% | 0.627 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91 | 117.8 | 173.3 | -48 | -84.7 | 0 | 0 | 0 | 106.9 | V151 F153 | V151-F160 HydrophobicContact CG1-CB 3.82Å; V151-F160 HydrophobicContact CG1-CD1 3.87Å; V151-F160 HydrophobicContact CG1-CG 4.32Å; F153-F160 HydrophobicContact CD2-CD1 4.3Å; F153-F160 AromaticContact CD2-CE1 3.9Å; F153-F160 HydrophobicContact CD2-CE1 3.9Å; F153-F160 HydrophobicContact CE2-CE1 4.16Å |
| 161 | V | 55.2 | Low | 53.8 | Low | 94 Ų | 94 | 112.9 Ų | 112.9 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105 | 124.3 | 164.8 | -176.8 | 0 | 0 | 0 | 0 | 105.2 | A163 | V161-A163 PolarHBondContact O-N 3.24Å; V161-A163 VanDerWaalsContact O-N 3.09Å |
| 162 | P | 53.5 | Low | 54.6 | Low | 97 Ų | 97 | 111.3 Ų | 111.3 | 63% | 0.63 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -51.9 | 122 | 169.7 | -19.2 | 29.2 | 0 | 0 | 0 | 107.2 | A164 | P162-A164 PolarHBondContact O-N 2.82Å |
| 163 | A | 53.1 | Low | 55.7 | Low | 36 Ų | 36 | 107.4 Ų | 107.4 | 30% | 0.298 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -60 | 120.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 105.1 | L150 V161 I165 | L150-A163 WeakPolarHBondContact O-CB 3.3Å; V161-A163 PolarHBondContact O-N 3.24Å; V161-A163 VanDerWaalsContact O-N 3.09Å; A163-I165 PolarHBondContact O-N 2.97Å |
| 164 | A | 53.5 | Low | 57.2 | Low | 87 Ų | 87 | 107 Ų | 107 | 72% | 0.719 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 133.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | P162 V166 | P162-A164 PolarHBondContact O-N 2.82Å; A164-V166 VanDerWaalsContact C-N 3.3Å; A164-V166 PolarHBondContact O-N 3.42Å |
| 165 | I | 51 | Low | 58.6 | Low | 164 Ų | 164 | 108.6 Ų | 108.6 | 84% | 0.841 | 63% | 0.626 | S | S | * | * | trans | -41.3 | 101.2 | -179 | -56.8 | 159.2 | 0 | 0 | 0 | 105.9 | A163 D167 | A163-I165 PolarHBondContact O-N 2.97Å; I165-D167 PolarHBondContact O-N 3.27Å; I165-D167 VanDerWaalsContact O-N 3.08Å | ||
| 166 | V | 49 | Very low | 59.9 | Low | 102 Ų | 102 | 110 Ų | 110 | 62% | 0.618 | 62% | 0.619 | S | S | * | * | trans | -63.6 | 118.4 | 172.9 | 170.6 | 0 | 0 | 0 | 0 | 102 | A164 E168 | A164-V166 VanDerWaalsContact C-N 3.3Å; A164-V166 PolarHBondContact O-N 3.42Å; V166-E168 VanDerWaalsContact C-N 3.33Å; V166-E168 PolarHBondContact O-N 3.49Å | ||
| 167 | D | 49.6 | Very low | 61.1 | Low | 95 Ų | 95 | 105.6 Ų | 105.6 | 51% | 0.508 | 60% | 0.598 | S | S | . | * | trans | -53.7 | 103.2 | 179.7 | -174.7 | 12.2 | 0 | 0 | 0 | 107.1 | I165 N169 E170 | I165-D167 PolarHBondContact O-N 3.27Å; I165-D167 VanDerWaalsContact O-N 3.08Å; D167-N169 PolarHBondContact O-N 3.11Å; D167-N169 VanDerWaalsContact OD1-CB 3.24Å; D167-N169 WeakPolarHBondContact OD1-CB 3.42Å; D167-N169 PolarHBondContact OD1-N 3.16Å; D167-E170 PolarHBondContact O-N 3.07Å | ||
| 168 | E | 57.9 | Low | 62.5 | Low | 166 Ų | 166 | 102.4 Ų | 102.4 | 78% | 0.776 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -59.2 | -12.5 | -179.7 | -70.7 | -101.5 | 151.1 | 0 | 0 | 110.5 | V166 E170 G171 | V166-E168 VanDerWaalsContact C-N 3.33Å; V166-E168 PolarHBondContact O-N 3.49Å; E168-E170 VanDerWaalsContact C-N 3.27Å; E168-E170 PolarHBondContact O-N 3.46Å; E168-G171 PolarHBondContact O-N 3.4Å |
| 169 | N | 57.6 | Low | 64.1 | Low | 140 Ų | 140 | 108.3 Ų | 108.3 | 75% | 0.749 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -73.7 | -10.5 | 173.7 | -158.5 | 37.3 | 0 | 0 | 0 | 114.4 | D167 G171 | D167-N169 PolarHBondContact O-N 3.11Å; D167-N169 VanDerWaalsContact OD1-CB 3.24Å; D167-N169 WeakPolarHBondContact OD1-CB 3.42Å; D167-N169 PolarHBondContact OD1-N 3.16Å; N169-G171 VanDerWaalsContact C-N 3.28Å |
| 170 | E | 58.6 | Low | 65.5 | Low | 164 Ų | 164 | 110.3 Ų | 110.3 | 77% | 0.766 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -81.5 | -9.5 | 168.4 | -67.3 | -170.2 | 176.3 | 0 | 0 | 112.5 | D167 E168 | D167-E170 PolarHBondContact O-N 3.07Å; E168-E170 VanDerWaalsContact C-N 3.27Å; E168-E170 PolarHBondContact O-N 3.46Å |
| 171 | G | 55.6 | Low | 67.1 | Low | 54 Ų | 54 | 109.9 Ų | 109.9 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -83.2 | 118.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E168 N169 S173 | E168-G171 PolarHBondContact O-N 3.4Å; N169-G171 VanDerWaalsContact C-N 3.28Å; G171-S173 PolarHBondContact O-N 2.92Å |
| 172 | S | 70.5 | Confident | 68.4 | Low | 50 Ų | 50 | 113.6 Ų | 113.6 | 35% | 0.35 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 130.3 | 167 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 173 | S | 78.7 | Confident | 69.9 | Low | 69 Ų | 69 | 113.7 Ų | 113.7 | 48% | 0.483 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -55 | 148.8 | 173.8 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | G171 Q175 Q176 L177 | G171-S173 PolarHBondContact O-N 2.92Å; S173-Q175 PolarHBondContact O-N 2.85Å; S173-Q176 WeakPolarHBondContact O-CA 3.45Å; S173-Q176 VanDerWaalsContact O-CB 3.3Å; S173-Q176 WeakPolarHBondContact O-CB 3.31Å; S173-Q176 PolarHBondContact O-N 2.93Å; S173-L177 PolarHBondContact O-N 3.35Å |
| 174 | V | 78.7 | Confident | 71.1 | Confident | 122 Ų | 122 | 115.3 Ų | 115.3 | 74% | 0.739 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -51 | -37.1 | 176.6 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | L177 L178 | V174-L177 PolarHBondContact O-N 3.34Å; V174-L178 PolarHBondContact O-N 3.42Å |
| 175 | Q | 81.7 | Confident | 72.2 | Confident | 142 Ų | 142 | 115.1 Ų | 115.1 | 66% | 0.664 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.1 | -42.4 | 175.3 | -69.3 | -169.4 | -15.4 | 0 | 0 | 112 | S173 L178 W179 | S173-Q175 PolarHBondContact O-N 2.85Å; Q175-L178 PolarHBondContact O-N 3.04Å; Q175-W179 PolarHBondContact O-N 3.37Å |
| 176 | Q | 85.2 | Confident | 73.1 | Confident | 112 Ų | 112 | 110.8 Ų | 110.8 | 52% | 0.523 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.2 | -42 | 177.4 | -172.7 | 177.1 | 5 | 0 | 0 | 111.3 | S173 L178 W179 E180 | S173-Q176 WeakPolarHBondContact O-CA 3.45Å; S173-Q176 VanDerWaalsContact O-CB 3.3Å; S173-Q176 WeakPolarHBondContact O-CB 3.31Å; S173-Q176 PolarHBondContact O-N 2.93Å; Q176-L178 VanDerWaalsContact C-N 3.33Å; Q176-L178 PolarHBondContact O-N 3.45Å; Q176-W179 PolarHBondContact O-N 3.18Å; Q176-E180 WeakPolarHBondContact O-CB 3.33Å; Q176-E180 PolarHBondContact O-N 3.41Å |
| 177 | L | 84.7 | Confident | 74.1 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 47% | 0.466 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60 | -42.4 | 174 | -68.1 | 174.9 | 0 | 0 | 0 | 111.9 | S173 V174 E180 E181 | S173-L177 PolarHBondContact O-N 3.35Å; V174-L177 PolarHBondContact O-N 3.34Å; L177-E180 PolarHBondContact O-N 3.09Å; L177-E181 WeakPolarHBondContact O-CB 3.33Å; L177-E181 PolarHBondContact O-N 3.19Å |
| 178 | L | 85.8 | Confident | 75.1 | Confident | 104 Ų | 104 | 106 Ų | 106 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.5 | -39.6 | 176.8 | -178.2 | 66.7 | 0 | 0 | 0 | 112 | V174 Q175 Q176 K182 | V174-L178 PolarHBondContact O-N 3.42Å; Q175-L178 PolarHBondContact O-N 3.04Å; Q176-L178 VanDerWaalsContact C-N 3.33Å; Q176-L178 PolarHBondContact O-N 3.45Å; L178-K182 VanDerWaalsContact O-CB 3.26Å; L178-K182 WeakPolarHBondContact O-CB 3.29Å; L178-K182 PolarHBondContact O-N 3.24Å |
| 179 | W | 84.7 | Confident | 75.7 | Confident | 170 Ų | 170 | 102.4 Ų | 102.4 | 64% | 0.644 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.5 | -43 | 175.4 | -85.6 | 103.9 | 0 | 0 | 0 | 111.7 | Q175 Q176 K182 T183 | Q175-W179 PolarHBondContact O-N 3.37Å; Q176-W179 PolarHBondContact O-N 3.18Å; W179-K182 PolarHBondContact O-N 2.97Å; W179-T183 HydrophobicContact CE3-CG2 4.25Å; W179-T183 WeakPolarHBondContact O-CB 3.44Å; W179-T183 WeakPolarHBondContact O-CG2 3.42Å; W179-T183 PolarHBondContact O-N 3.4Å; W179-T183 PolarHBondContact O-OG1 3.01Å |
| 180 | E | 83.5 | Confident | 76.4 | Confident | 117 Ų | 117 | 98.2 Ų | 98.2 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.7 | -172.3 | 177.7 | 176.4 | 0 | 0 | 111 | Q176 L177 K182 T183 M184 | Q176-E180 WeakPolarHBondContact O-CB 3.33Å; Q176-E180 PolarHBondContact O-N 3.41Å; L177-E180 PolarHBondContact O-N 3.09Å; E180-K182 PolarHBondContact O-N 3.49Å; E180-T183 PolarHBondContact O-N 2.99Å; E180-T183 PolarHBondContact O-OG1 3.5Å; E180-M184 VanDerWaalsContact O-CB 3.31Å; E180-M184 WeakPolarHBondContact O-CB 3.3Å; E180-M184 PolarHBondContact O-N 2.97Å |
| 181 | E | 81.8 | Confident | 77.2 | Confident | 133 Ų | 133 | 97.2 Ų | 97.2 | 62% | 0.621 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.4 | -48.8 | 173.6 | -177.2 | -172.5 | -171 | 0 | 0 | 111.4 | L177 T183 M184 | L177-E181 WeakPolarHBondContact O-CB 3.33Å; L177-E181 PolarHBondContact O-N 3.19Å; E181-T183 VanDerWaalsContact C-N 3.27Å; E181-T183 PolarHBondContact O-N 3.21Å; E181-M184 WeakPolarHBondContact O-CB 3.32Å; E181-M184 PolarHBondContact O-N 3.27Å |
| 182 | K | 82.6 | Confident | 78 | Confident | 173 Ų | 173 | 98.6 Ų | 98.6 | 75% | 0.752 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.1 | -23.5 | -175.4 | -163.5 | 172.9 | -177.5 | -178.7 | 0 | 113.5 | L178 W179 E180 | L178-K182 VanDerWaalsContact O-CB 3.26Å; L178-K182 WeakPolarHBondContact O-CB 3.29Å; L178-K182 PolarHBondContact O-N 3.24Å; W179-K182 PolarHBondContact O-N 2.97Å; E180-K182 PolarHBondContact O-N 3.49Å |
| 183 | T | 83.2 | Confident | 78 | Confident | 98 Ų | 98 | 104.4 Ų | 104.4 | 60% | 0.601 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -102 | 0.1 | 177.9 | 58.9 | 0 | 0 | 0 | 0 | 112.7 | W179 E180 E181 S185 | W179-T183 HydrophobicContact CE3-CG2 4.25Å; W179-T183 WeakPolarHBondContact O-CB 3.44Å; W179-T183 WeakPolarHBondContact O-CG2 3.42Å; W179-T183 PolarHBondContact O-N 3.4Å; W179-T183 PolarHBondContact O-OG1 3.01Å; E180-T183 PolarHBondContact O-N 2.99Å; E180-T183 PolarHBondContact O-OG1 3.5Å; E181-T183 VanDerWaalsContact C-N 3.27Å; E181-T183 PolarHBondContact O-N 3.21Å; T183-S185 PolarHBondContact O-N 3.06Å |
| 184 | M | 79.8 | Confident | 77.6 | Confident | 71 Ų | 71 | 107.1 Ų | 107.1 | 35% | 0.35 | 56% | 0.555 | S | S | . | * | trans | -64.3 | 130.1 | 178.9 | 106.7 | -174.9 | -59.2 | 0 | 0 | 109.4 | E180 E181 E189 V192 | E180-M184 VanDerWaalsContact O-CB 3.31Å; E180-M184 WeakPolarHBondContact O-CB 3.3Å; E180-M184 PolarHBondContact O-N 2.97Å; E181-M184 WeakPolarHBondContact O-CB 3.32Å; E181-M184 PolarHBondContact O-N 3.27Å; M184-E189 HydrophobicContact CE-CG 4.01Å; M184-E189 HydrophobicContact CG-CG 3.59Å; M184-E189 HydrophobicContact SD-CG 3.44Å; M184-E189 WeakPolarHBondContact SD-CG 3.4Å; M184-V192 HydrophobicContact CE-CG2 4.2Å | ||
| 185 | S | 75.1 | Confident | 77 | Confident | 82 Ų | 82 | 104 Ų | 104 | 57% | 0.573 | 54% | 0.543 | S | S | * | . | trans | -82 | 149.5 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | T183 A187 G188 E189 | T183-S185 PolarHBondContact O-N 3.06Å; S185-A187 PolarHBondContact O-N 2.81Å; S185-G188 WeakPolarHBondContact O-CA 3.34Å; S185-G188 PolarHBondContact O-N 3.06Å; S185-E189 PolarHBondContact O-N 3.37Å | ||
| 186 | A | 71 | Confident | 76 | Confident | 73 Ų | 73 | 100.4 Ų | 100.4 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -52.9 | -27 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S190 | A186-S190 PolarHBondContact O-N 3.32Å |
| 187 | A | 70.7 | Confident | 74.8 | Confident | 68 Ų | 68 | 101.5 Ų | 101.5 | 56% | 0.562 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S185 S190 E191 | S185-A187 PolarHBondContact O-N 2.81Å; A187-S190 PolarHBondContact O-N 3.04Å; A187-S190 PolarHBondContact O-OG 3.47Å; A187-E191 PolarHBondContact O-N 3.2Å |
| 188 | G | 69 | Low | 73.6 | Confident | 28 Ų | 28 | 105 Ų | 105 | 29% | 0.289 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S185 S190 E191 V192 | S185-G188 WeakPolarHBondContact O-CA 3.34Å; S185-G188 PolarHBondContact O-N 3.06Å; G188-S190 VanDerWaalsContact C-N 3.28Å; G188-S190 PolarHBondContact O-N 3.27Å; G188-E191 PolarHBondContact O-N 2.64Å; G188-E191 VanDerWaalsContact O-N 3.16Å; G188-V192 WeakPolarHBondContact O-CG2 3.24Å; G188-V192 PolarHBondContact O-N 2.96Å; G188-V192 VanDerWaalsContact O-N 3.11Å |
| 189 | E | 70.2 | Confident | 72.2 | Confident | 92 Ų | 92 | 103.7 Ų | 103.7 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56 | -43.8 | 172.3 | -69.4 | 177.5 | -163.5 | 0 | 0 | 111.7 | M184 S185 E191 V192 Y193 | M184-E189 HydrophobicContact CE-CG 4.01Å; M184-E189 HydrophobicContact CG-CG 3.59Å; M184-E189 HydrophobicContact SD-CG 3.44Å; M184-E189 WeakPolarHBondContact SD-CG 3.4Å; S185-E189 PolarHBondContact O-N 3.37Å; E189-E191 VanDerWaalsContact C-N 3.3Å; E189-E191 PolarHBondContact O-N 3.31Å; E189-V192 PolarHBondContact O-N 2.75Å; E189-Y193 WeakPolarHBondContact O-CD2 3.43Å; E189-Y193 PolarHBondContact O-N 2.81Å |
| 190 | S | 73.4 | Confident | 70.8 | Confident | 52 Ų | 52 | 100.7 Ų | 100.7 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.6 | -33.3 | -179.5 | 100.9 | 0 | 0 | 0 | 0 | 112.7 | A186 A187 G188 K194 | A186-S190 PolarHBondContact O-N 3.32Å; A187-S190 PolarHBondContact O-N 3.04Å; A187-S190 PolarHBondContact O-OG 3.47Å; G188-S190 VanDerWaalsContact C-N 3.28Å; G188-S190 PolarHBondContact O-N 3.27Å; S190-K194 WeakPolarHBondContact O-CB 3.11Å; S190-K194 WeakPolarHBondContact O-CG 3.45Å; S190-K194 PolarHBondContact O-N 2.71Å |
| 191 | E | 74.6 | Confident | 69.3 | Low | 143 Ų | 143 | 99.4 Ų | 99.4 | 67% | 0.668 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.3 | -41.5 | 176.2 | -77.1 | -169.9 | 167.4 | 0 | 0 | 111.6 | A187 G188 E189 Y193 K194 A195 | A187-E191 PolarHBondContact O-N 3.2Å; G188-E191 PolarHBondContact O-N 2.64Å; G188-E191 VanDerWaalsContact O-N 3.16Å; E189-E191 VanDerWaalsContact C-N 3.3Å; E189-E191 PolarHBondContact O-N 3.31Å; E191-Y193 PolarHBondContact O-N 2.8Å; E191-K194 PolarHBondContact O-N 3.19Å; E191-A195 VanDerWaalsContact O-CB 3.31Å; E191-A195 WeakPolarHBondContact O-CB 3.24Å; E191-A195 PolarHBondContact O-N 2.96Å |
| 192 | V | 73.2 | Confident | 68.2 | Low | 83 Ų | 83 | 96.8 Ų | 96.8 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59 | -48.6 | 174.6 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | M184 G188 E189 K194 A195 S196 | M184-V192 HydrophobicContact CE-CG2 4.2Å; G188-V192 WeakPolarHBondContact O-CG2 3.24Å; G188-V192 PolarHBondContact O-N 2.96Å; G188-V192 VanDerWaalsContact O-N 3.11Å; E189-V192 PolarHBondContact O-N 2.75Å; V192-K194 PolarHBondContact O-N 3.43Å; V192-A195 PolarHBondContact O-N 2.95Å; V192-S196 PolarHBondContact O-N 3.34Å; V192-S196 PolarHBondContact O-OG 3.11Å |
| 193 | Y | 70.6 | Confident | 67 | Low | 172 Ų | 172 | 98.4 Ų | 98.4 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.3 | -43.3 | 176.7 | -91.9 | -81.1 | 0 | 0 | 0 | 113 | E189 E191 S196 Q197 | E189-Y193 WeakPolarHBondContact O-CD2 3.43Å; E189-Y193 PolarHBondContact O-N 2.81Å; E191-Y193 PolarHBondContact O-N 2.8Å; Y193-S196 PolarHBondContact O-N 2.61Å; Y193-Q197 PolarHBondContact O-N 2.85Å; Y193-Q197 VanDerWaalsContact O-N 3.14Å |
| 194 | K | 70.7 | Confident | 65.8 | Low | 125 Ų | 125 | 98.1 Ų | 98.1 | 54% | 0.543 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.4 | -35.8 | 177.3 | -77.5 | 176.9 | -178.6 | 171.5 | 0 | 112.4 | S190 E191 V192 Q197 K198 | S190-K194 WeakPolarHBondContact O-CB 3.11Å; S190-K194 WeakPolarHBondContact O-CG 3.45Å; S190-K194 PolarHBondContact O-N 2.71Å; E191-K194 PolarHBondContact O-N 3.19Å; V192-K194 PolarHBondContact O-N 3.43Å; K194-Q197 PolarHBondContact O-N 2.99Å; K194-K198 WeakPolarHBondContact O-CG 3.49Å; K194-K198 PolarHBondContact O-N 3.33Å |
| 195 | A | 65 | Low | 65.1 | Low | 57 Ų | 57 | 98.4 Ų | 98.4 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.2 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E191 V192 Q197 K198 A199 | E191-A195 VanDerWaalsContact O-CB 3.31Å; E191-A195 WeakPolarHBondContact O-CB 3.24Å; E191-A195 PolarHBondContact O-N 2.96Å; V192-A195 PolarHBondContact O-N 2.95Å; A195-Q197 VanDerWaalsContact C-N 3.34Å; A195-Q197 PolarHBondContact O-N 3.11Å; A195-K198 PolarHBondContact O-N 3.32Å; A195-A199 PolarHBondContact O-N 2.93Å |
| 196 | S | 62.3 | Low | 64.8 | Low | 66 Ų | 66 | 103.6 Ų | 103.6 | 46% | 0.462 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.4 | -43.2 | 174.9 | -59.5 | 0 | 0 | 0 | 0 | 112 | V192 Y193 K198 A199 T200 | V192-S196 PolarHBondContact O-N 3.34Å; V192-S196 PolarHBondContact O-OG 3.11Å; Y193-S196 PolarHBondContact O-N 2.61Å; S196-K198 PolarHBondContact O-N 2.96Å; S196-A199 PolarHBondContact O-N 3.25Å; S196-T200 WeakPolarHBondContact O-CG2 3.41Å; S196-T200 PolarHBondContact O-N 3.09Å; S196-T200 PolarHBondContact O-OG1 3.47Å |
| 197 | Q | 60 | Low | 65.2 | Low | 136 Ų | 136 | 107 Ų | 107 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65 | -38.4 | 176.3 | -71.9 | -173.3 | -15.2 | 0 | 0 | 113.1 | Y193 K194 A195 A199 T200 S201 | Y193-Q197 PolarHBondContact O-N 2.85Å; Y193-Q197 VanDerWaalsContact O-N 3.14Å; K194-Q197 PolarHBondContact O-N 2.99Å; A195-Q197 VanDerWaalsContact C-N 3.34Å; A195-Q197 PolarHBondContact O-N 3.11Å; Q197-A199 VanDerWaalsContact C-N 3.32Å; Q197-A199 PolarHBondContact O-N 3.27Å; Q197-T200 WeakPolarHBondContact CA-OG1 3.47Å; Q197-T200 PolarHBondContact O-N 3.15Å; Q197-T200 PolarHBondContact O-OG1 2.8Å; Q197-S201 PolarHBondContact O-N 3.45Å |
| 198 | K | 57.6 | Low | 65.8 | Low | 161 Ų | 161 | 111.3 Ų | 111.3 | 70% | 0.7 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.8 | -38.7 | 175.3 | -73.5 | 175.1 | -178.3 | 179 | 0 | 111.2 | K194 A195 S196 S201 | K194-K198 WeakPolarHBondContact O-CG 3.49Å; K194-K198 PolarHBondContact O-N 3.33Å; A195-K198 PolarHBondContact O-N 3.32Å; S196-K198 PolarHBondContact O-N 2.96Å; K198-S201 PolarHBondContact O-N 3.34Å; K198-S201 PolarHBondContact O-OG 3.28Å |
| 199 | A | 57.2 | Low | 66.4 | Low | 77 Ų | 77 | 113.3 Ų | 113.3 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.5 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A195 S196 Q197 S201 | A195-A199 PolarHBondContact O-N 2.93Å; S196-A199 PolarHBondContact O-N 3.25Å; Q197-A199 VanDerWaalsContact C-N 3.32Å; Q197-A199 PolarHBondContact O-N 3.27Å; A199-S201 VanDerWaalsContact C-N 3.32Å |
| 200 | T | 54.7 | Low | 67 | Low | 107 Ų | 107 | 113.3 Ų | 113.3 | 66% | 0.656 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -81.1 | -7.9 | 177.7 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | S196 Q197 S202 | S196-T200 WeakPolarHBondContact O-CG2 3.41Å; S196-T200 PolarHBondContact O-N 3.09Å; S196-T200 PolarHBondContact O-OG1 3.47Å; Q197-T200 WeakPolarHBondContact CA-OG1 3.47Å; Q197-T200 PolarHBondContact O-N 3.15Å; Q197-T200 PolarHBondContact O-OG1 2.8Å; T200-S202 CarbonylContact O-C 3.54Å; T200-S202 PolarHBondContact O-N 3.24Å; T200-S202 VanDerWaalsContact O-O 3.08Å |
| 201 | S | 52.8 | Low | 67.6 | Low | 90 Ų | 90 | 116.1 Ų | 116.1 | 63% | 0.629 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -7 | 173.3 | 74.3 | 0 | 0 | 0 | 0 | 114.2 | Q197 K198 A199 K203 | Q197-S201 PolarHBondContact O-N 3.45Å; K198-S201 PolarHBondContact O-N 3.34Å; K198-S201 PolarHBondContact O-OG 3.28Å; A199-S201 VanDerWaalsContact C-N 3.32Å; S201-K203 PolarHBondContact O-N 2.79Å |
| 202 | S | 58 | Low | 68 | Low | 78 Ų | 78 | 112.6 Ų | 112.6 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -60 | 103.4 | 159 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | T200 V204 | T200-S202 CarbonylContact O-C 3.54Å; T200-S202 PolarHBondContact O-N 3.24Å; T200-S202 VanDerWaalsContact O-O 3.08Å; S202-V204 PolarHBondContact O-N 2.8Å |
| 203 | K | 57.2 | Low | 68.5 | Low | 208 Ų | 208 | 112.9 Ų | 112.9 | 90% | 0.904 | 60% | 0.6 | S | S | * | * | trans | -53.3 | 73.9 | 173.3 | -76.8 | 153.1 | 171.2 | 163.6 | 0 | 111.5 | S201 | S201-K203 PolarHBondContact O-N 2.79Š| ||
| 204 | V | 58.1 | Low | 69.1 | Low | 91 Ų | 91 | 108.2 Ų | 108.2 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | trans | -112.9 | 106.8 | 166.6 | 179.9 | 0 | 0 | 0 | 0 | 102.6 | S202 W208 | S202-V204 PolarHBondContact O-N 2.8Å; V204-W208 HydrophobicContact CG1-CB 4.19Å; V204-W208 HydrophobicContact CG1-CG 4.22Å | ||
| 205 | S | 65.8 | Low | 69.7 | Low | 78 Ų | 78 | 104.9 Ų | 104.9 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | trans | -56.5 | 145.6 | 170.7 | 48.8 | 0 | 0 | 0 | 0 | 108.9 | D207 W208 | S205-D207 PolarHBondContact O-N 3.31Å; S205-D207 VanDerWaalsContact O-N 3.09Å; S205-W208 PolarHBondContact O-N 3.1Å | ||
| 206 | E | 69.1 | Low | 70.5 | Confident | 191 Ų | 191 | 105.9 Ų | 105.9 | 89% | 0.893 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -57.6 | -24.2 | 177.7 | -69.3 | 162.4 | -173.8 | 0 | 0 | 111.6 | W208 | E206-W208 PolarHBondContact O-N 2.84Š|
| 207 | D | 80.2 | Confident | 71.3 | Confident | 143 Ų | 143 | 109.9 Ų | 109.9 | 77% | 0.765 | 58% | 0.578 | S | S | * | * | trans | -92.5 | 47 | 177.8 | -59.6 | -34.4 | 0 | 0 | 0 | 113.8 | S205 | S205-D207 PolarHBondContact O-N 3.31Å; S205-D207 VanDerWaalsContact O-N 3.09Å | ||
| 208 | W | 81.8 | Confident | 72.3 | Confident | 159 Ų | 159 | 110 Ų | 110 | 60% | 0.602 | 58% | 0.577 | S | S | * | * | trans | -77.2 | 131.1 | 175.8 | 65.5 | -83.6 | 0 | 0 | 0 | 111.4 | V204 S205 E206 | V204-W208 HydrophobicContact CG1-CB 4.19Å; V204-W208 HydrophobicContact CG1-CG 4.22Å; S205-W208 PolarHBondContact O-N 3.1Å; E206-W208 PolarHBondContact O-N 2.84Å | ||
| 209 | T | 82.1 | Confident | 73.3 | Confident | 71 Ų | 71 | 109.4 Ų | 109.4 | 44% | 0.436 | 57% | 0.57 | S | S | . | * | trans | -100.1 | 164.2 | 170.6 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | D211 D212 M213 | T209-D211 PolarHBondContact O-N 3.08Å; T209-D212 PolarHBondContact N-OD2 3.09Å; T209-D212 WeakPolarHBondContact O-CB 3.42Å; T209-D212 PolarHBondContact O-N 3.16Å; T209-D212 PolarHBondContact OG1-N 2.8Å; T209-D212 PolarHBondContact OG1-OD2 3.32Å; T209-M213 PolarHBondContact O-N 3.07Å | ||
| 210 | V | 83.3 | Confident | 74.2 | Confident | 91 Ų | 91 | 112.1 Ų | 112.1 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58 | -33.5 | 172.5 | 175.9 | 0 | 0 | 0 | 0 | 111 | D212 M213 I214 | V210-D212 VanDerWaalsContact C-N 3.31Å; V210-D212 PolarHBondContact O-N 2.95Å; V210-M213 HydrophobicContact CG1-CE 4.31Å; V210-M213 WeakPolarHBondContact O-CB 3.46Å; V210-M213 PolarHBondContact O-N 3.01Å; V210-I214 HydrophobicContact CG1-CD1 4.15Å; V210-I214 WeakPolarHBondContact O-CG1 3.22Å; V210-I214 PolarHBondContact O-N 2.73Å; V210-I214 VanDerWaalsContact O-N 3.09Å |
| 211 | D | 85.2 | Confident | 75.2 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 59% | 0.594 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.1 | -32.9 | 176.5 | -71 | -28.6 | 0 | 0 | 0 | 112.3 | T209 I214 S215 | T209-D211 PolarHBondContact O-N 3.08Å; D211-I214 PolarHBondContact O-N 3.39Å; D211-S215 WeakPolarHBondContact O-CB 3.25Å; D211-S215 PolarHBondContact O-N 2.83Å; D211-S215 PolarHBondContact O-OG 3.46Å |
| 212 | D | 84.3 | Confident | 76.1 | Confident | 70 Ų | 70 | 110.4 Ų | 110.4 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.7 | -41 | 173.2 | -63.4 | -50.3 | 0 | 0 | 0 | 111.4 | T209 V210 I214 S215 E216 | T209-D212 PolarHBondContact N-OD2 3.09Å; T209-D212 WeakPolarHBondContact O-CB 3.42Å; T209-D212 PolarHBondContact O-N 3.16Å; T209-D212 PolarHBondContact OG1-N 2.8Å; T209-D212 PolarHBondContact OG1-OD2 3.32Å; V210-D212 VanDerWaalsContact C-N 3.31Å; V210-D212 PolarHBondContact O-N 2.95Å; D212-I214 VanDerWaalsContact C-N 3.33Å; D212-I214 PolarHBondContact O-N 3.4Å; D212-S215 PolarHBondContact O-N 3.29Å; D212-E216 VanDerWaalsContact O-CB 3.24Å; D212-E216 WeakPolarHBondContact O-CB 3.24Å; D212-E216 VanDerWaalsContact O-CG 3.24Å; D212-E216 WeakPolarHBondContact O-CG 3.24Å; D212-E216 PolarHBondContact O-N 3.2Å |
| 213 | M | 82 | Confident | 76.7 | Confident | 89 Ų | 89 | 109.4 Ų | 109.4 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 175 | -178.4 | -175.1 | 57 | 0 | 0 | 111.7 | T209 V210 R217 | T209-M213 PolarHBondContact O-N 3.07Å; V210-M213 HydrophobicContact CG1-CE 4.31Å; V210-M213 WeakPolarHBondContact O-CB 3.46Å; V210-M213 PolarHBondContact O-N 3.01Å; M213-R217 WeakPolarHBondContact O-CB 3.27Å; M213-R217 PolarHBondContact O-N 3.27Å; M213-R217 VanDerWaalsContact O-N 3.09Å |
| 214 | I | 84.6 | Confident | 77.3 | Confident | 73 Ų | 73 | 105 Ų | 105 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 176.9 | -64.2 | 168.8 | 0 | 0 | 0 | 109.8 | V210 D211 D212 R217 K218 | V210-I214 HydrophobicContact CG1-CD1 4.15Å; V210-I214 WeakPolarHBondContact O-CG1 3.22Å; V210-I214 PolarHBondContact O-N 2.73Å; V210-I214 VanDerWaalsContact O-N 3.09Å; D211-I214 PolarHBondContact O-N 3.39Å; D212-I214 VanDerWaalsContact C-N 3.33Å; D212-I214 PolarHBondContact O-N 3.4Å; I214-R217 PolarHBondContact O-N 2.83Å; I214-K218 HydrophobicContact CG2-CG 4.2Å; I214-K218 WeakPolarHBondContact O-CB 3.44Å; I214-K218 VanDerWaalsContact O-CG 3.25Å; I214-K218 WeakPolarHBondContact O-CG 3.14Å; I214-K218 PolarHBondContact O-N 3.07Å |
| 215 | S | 82.5 | Confident | 78.1 | Confident | 55 Ų | 55 | 103.6 Ų | 103.6 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 179.2 | -65.7 | 0 | 0 | 0 | 0 | 112 | D211 D212 R217 K218 R219 | D211-S215 WeakPolarHBondContact O-CB 3.25Å; D211-S215 PolarHBondContact O-N 2.83Å; D211-S215 PolarHBondContact O-OG 3.46Å; D212-S215 PolarHBondContact O-N 3.29Å; S215-R217 PolarHBondContact O-N 3.25Å; S215-K218 PolarHBondContact O-N 2.99Å; S215-R219 VanDerWaalsContact O-CB 3.27Å; S215-R219 WeakPolarHBondContact O-CB 3.35Å; S215-R219 PolarHBondContact O-N 3.04Å |
| 216 | E | 81.5 | Confident | 78.3 | Confident | 79 Ų | 79 | 103.2 Ų | 103.2 | 37% | 0.369 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -51.3 | -51.9 | 169.2 | -85.1 | -88.4 | 124 | 0 | 0 | 111.5 | D212 R219 K220 | D212-E216 VanDerWaalsContact O-CB 3.24Å; D212-E216 WeakPolarHBondContact O-CB 3.24Å; D212-E216 VanDerWaalsContact O-CG 3.24Å; D212-E216 WeakPolarHBondContact O-CG 3.24Å; D212-E216 PolarHBondContact O-N 3.2Å; E216-R219 PolarHBondContact O-N 3.18Å; E216-R219 IonicContact OE1-NH1 2.64Å; E216-R219 PolarHBondContact OE1-NH1 2.9Å; E216-R219 VanDerWaalsContact OE1-NH1 3.07Å; E216-K220 WeakPolarHBondContact O-CG 3.45Å; E216-K220 PolarHBondContact O-N 3.05Å; E216-K220 WeakPolarHBondContact OE2-CE 3.42Å; E216-K220 IonicContact OE2-NZ 2.8Å; E216-K220 PolarHBondContact OE2-NZ 3.09Å |
| 217 | R | 80.3 | Confident | 78.6 | Confident | 149 Ų | 149 | 100.3 Ų | 100.3 | 56% | 0.562 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -42.6 | -179.7 | -177.6 | -179.1 | -79.6 | 137.2 | -4.7 | 111.4 | M213 I214 S215 K220 L221 | M213-R217 WeakPolarHBondContact O-CB 3.27Å; M213-R217 PolarHBondContact O-N 3.27Å; M213-R217 VanDerWaalsContact O-N 3.09Å; I214-R217 PolarHBondContact O-N 2.83Å; S215-R217 PolarHBondContact O-N 3.25Å; R217-K220 PolarHBondContact O-N 3.33Å; R217-L221 HydrophobicContact CG-CD1 4.38Å; R217-L221 WeakPolarHBondContact O-CG 3.49Å; R217-L221 PolarHBondContact O-N 3.5Å; R217-L221 VanDerWaalsContact O-N 3.14Å |
| 218 | K | 80 | Confident | 78.3 | Confident | 140 Ų | 140 | 97.1 Ų | 97.1 | 61% | 0.609 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.4 | -41.3 | 178.2 | -70.4 | -74 | -179.3 | 175.1 | 0 | 111.7 | I214 S215 K220 L221 A222 | I214-K218 HydrophobicContact CG2-CG 4.2Å; I214-K218 WeakPolarHBondContact O-CB 3.44Å; I214-K218 VanDerWaalsContact O-CG 3.25Å; I214-K218 WeakPolarHBondContact O-CG 3.14Å; I214-K218 PolarHBondContact O-N 3.07Å; S215-K218 PolarHBondContact O-N 2.99Å; K218-K220 PolarHBondContact O-N 3.14Å; K218-L221 PolarHBondContact O-N 3.05Å; K218-A222 WeakPolarHBondContact O-CB 3.41Å; K218-A222 PolarHBondContact O-N 3.39Å |
| 219 | R | 79.2 | Confident | 78 | Confident | 148 Ų | 148 | 97 Ų | 97 | 56% | 0.558 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62 | -43 | 176.9 | -165.2 | -173.2 | -55.5 | 116.5 | 1 | 111.8 | S215 E216 A222 S223 | S215-R219 VanDerWaalsContact O-CB 3.27Å; S215-R219 WeakPolarHBondContact O-CB 3.35Å; S215-R219 PolarHBondContact O-N 3.04Å; E216-R219 PolarHBondContact O-N 3.18Å; E216-R219 IonicContact OE1-NH1 2.64Å; E216-R219 PolarHBondContact OE1-NH1 2.9Å; E216-R219 VanDerWaalsContact OE1-NH1 3.07Å; R219-A222 PolarHBondContact O-N 3.06Å; R219-S223 WeakPolarHBondContact O-CB 3.39Å; R219-S223 PolarHBondContact O-N 3.5Å |
| 220 | K | 76.3 | Confident | 77.5 | Confident | 134 Ų | 134 | 100.1 Ų | 100.1 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -45.3 | 176.2 | -72.3 | 170.9 | -172.9 | 162 | 0 | 111.6 | E216 R217 K218 Q224 | E216-K220 WeakPolarHBondContact O-CG 3.45Å; E216-K220 PolarHBondContact O-N 3.05Å; E216-K220 WeakPolarHBondContact OE2-CE 3.42Å; E216-K220 IonicContact OE2-NZ 2.8Å; E216-K220 PolarHBondContact OE2-NZ 3.09Å; R217-K220 PolarHBondContact O-N 3.33Å; K218-K220 PolarHBondContact O-N 3.14Å; K220-Q224 PolarHBondContact O-N 3.5Å |
| 221 | L | 74.2 | Confident | 77 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 177.5 | -74.4 | 171.9 | 0 | 0 | 0 | 112.9 | R217 K218 S223 Q224 A225 | R217-L221 HydrophobicContact CG-CD1 4.38Å; R217-L221 WeakPolarHBondContact O-CG 3.49Å; R217-L221 PolarHBondContact O-N 3.5Å; R217-L221 VanDerWaalsContact O-N 3.14Å; K218-L221 PolarHBondContact O-N 3.05Å; L221-S223 PolarHBondContact O-N 3.2Å; L221-Q224 PolarHBondContact O-N 2.99Å; L221-A225 PolarHBondContact O-N 3.32Å |
| 222 | A | 72.6 | Confident | 76.2 | Confident | 62 Ų | 62 | 103.9 Ų | 103.9 | 51% | 0.512 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | K218 R219 Q224 A225 E226 | K218-A222 WeakPolarHBondContact O-CB 3.41Å; K218-A222 PolarHBondContact O-N 3.39Å; R219-A222 PolarHBondContact O-N 3.06Å; A222-Q224 VanDerWaalsContact C-N 3.29Å; A222-Q224 PolarHBondContact O-N 2.98Å; A222-A225 PolarHBondContact O-N 3.25Å; A222-E226 PolarHBondContact O-N 3.5Å |
| 223 | S | 70.5 | Confident | 75.6 | Confident | 56 Ų | 56 | 105.2 Ų | 105.2 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 175.9 | -171.1 | 0 | 0 | 0 | 0 | 112 | R219 L221 K227 | R219-S223 WeakPolarHBondContact O-CB 3.39Å; R219-S223 PolarHBondContact O-N 3.5Å; L221-S223 PolarHBondContact O-N 3.2Å; S223-K227 VanDerWaalsContact O-CG 3.23Å; S223-K227 WeakPolarHBondContact O-CG 3.44Å; S223-K227 PolarHBondContact O-N 3.46Å; S223-K227 VanDerWaalsContact O-N 3.12Å |
| 224 | Q | 70.7 | Confident | 74.7 | Confident | 116 Ų | 116 | 108.3 Ų | 108.3 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.8 | -43.2 | 177.3 | -169.6 | 177.8 | -2 | 0 | 0 | 112 | K220 L221 A222 E226 K227 N228 | K220-Q224 PolarHBondContact O-N 3.5Å; L221-Q224 PolarHBondContact O-N 2.99Å; A222-Q224 VanDerWaalsContact C-N 3.29Å; A222-Q224 PolarHBondContact O-N 2.98Å; Q224-E226 PolarHBondContact O-N 2.79Å; Q224-K227 PolarHBondContact O-N 3.07Å; Q224-N228 VanDerWaalsContact O-CG 3.29Å; Q224-N228 PolarHBondContact O-N 3.07Å; Q224-N228 VanDerWaalsContact O-N 3.07Å; Q224-N228 PolarHBondContact O-ND2 2.87Å |
| 225 | A | 73 | Confident | 73.6 | Confident | 62 Ų | 62 | 111.6 Ų | 111.6 | 51% | 0.512 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L221 A222 N228 R229 | L221-A225 PolarHBondContact O-N 3.32Å; A222-A225 PolarHBondContact O-N 3.25Å; A225-N228 PolarHBondContact O-N 3.12Å; A225-R229 PolarHBondContact O-N 3.09Å |
| 226 | E | 71.5 | Confident | 72.5 | Confident | 70 Ų | 70 | 118.5 Ų | 118.5 | 33% | 0.327 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.6 | -38 | 179.5 | -177.4 | 57.5 | -163 | 0 | 0 | 112.5 | A222 Q224 N228 R229 K230 | A222-E226 PolarHBondContact O-N 3.5Å; Q224-E226 PolarHBondContact O-N 2.79Å; E226-N228 VanDerWaalsContact C-N 3.32Å; E226-N228 PolarHBondContact O-N 3.49Å; E226-R229 VanDerWaalsContact CD-NH2 3.33Å; E226-R229 PolarHBondContact O-N 3.32Å; E226-R229 IonicContact OE1-CZ 3.65Å; E226-R229 IonicContact OE1-NE 3.63Å; E226-R229 IonicContact OE1-NH2 2.79Å; E226-R229 PolarHBondContact OE1-NH2 3.12Å; E226-R229 IonicContact OE2-CZ 3.33Å; E226-R229 IonicContact OE2-NE 2.87Å; E226-R229 PolarHBondContact OE2-NE 3.42Å; E226-R229 IonicContact OE2-NH2 3.07Å; E226-R229 PolarHBondContact OE2-NH2 3.5Å; E226-R229 VanDerWaalsContact OE2-NH2 3.07Å; E226-K230 PolarHBondContact O-N 3.45Å; E226-K230 VanDerWaalsContact O-N 3.12Å; E226-K230 WeakPolarHBondContact OE1-CE 3.23Å |
| 227 | K | 74.7 | Confident | 71 | Confident | 130 Ų | 130 | 120.7 Ų | 120.7 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.4 | -39.8 | 173 | -73.3 | 172.1 | -174.1 | 178.9 | 0 | 111.8 | S223 Q224 K230 K231 | S223-K227 VanDerWaalsContact O-CG 3.23Å; S223-K227 WeakPolarHBondContact O-CG 3.44Å; S223-K227 PolarHBondContact O-N 3.46Å; S223-K227 VanDerWaalsContact O-N 3.12Å; Q224-K227 PolarHBondContact O-N 3.07Å; K227-K230 PolarHBondContact O-N 3.2Å; K227-K231 WeakPolarHBondContact O-CG 3.45Å; K227-K231 PolarHBondContact O-N 3.4Å |
| 228 | N | 75.2 | Confident | 70.6 | Confident | 75 Ų | 75 | 119.3 Ų | 119.3 | 40% | 0.401 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.9 | -38.1 | 177.4 | -70.4 | -15.2 | 0 | 0 | 0 | 111.8 | Q224 A225 E226 K231 Q232 | Q224-N228 VanDerWaalsContact O-CG 3.29Å; Q224-N228 PolarHBondContact O-N 3.07Å; Q224-N228 VanDerWaalsContact O-N 3.07Å; Q224-N228 PolarHBondContact O-ND2 2.87Å; A225-N228 PolarHBondContact O-N 3.12Å; E226-N228 VanDerWaalsContact C-N 3.32Å; E226-N228 PolarHBondContact O-N 3.49Å; N228-K231 PolarHBondContact O-N 3.33Å; N228-Q232 PolarHBondContact O-N 2.99Å; N228-Q232 VanDerWaalsContact O-N 3.09Å |
| 229 | R | 73.9 | Confident | 70.1 | Confident | 157 Ų | 157 | 118.2 Ų | 118.2 | 59% | 0.592 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.2 | -46.7 | 174.7 | -169 | 174.8 | 70.6 | 125 | 4.8 | 111.7 | A225 E226 K231 Q232 V233 | A225-R229 PolarHBondContact O-N 3.09Å; E226-R229 VanDerWaalsContact CD-NH2 3.33Å; E226-R229 PolarHBondContact O-N 3.32Å; E226-R229 IonicContact OE1-CZ 3.65Å; E226-R229 IonicContact OE1-NE 3.63Å; E226-R229 IonicContact OE1-NH2 2.79Å; E226-R229 PolarHBondContact OE1-NH2 3.12Å; E226-R229 IonicContact OE2-CZ 3.33Å; E226-R229 IonicContact OE2-NE 2.87Å; E226-R229 PolarHBondContact OE2-NE 3.42Å; E226-R229 IonicContact OE2-NH2 3.07Å; E226-R229 PolarHBondContact OE2-NH2 3.5Å; E226-R229 VanDerWaalsContact OE2-NH2 3.07Å; R229-K231 VanDerWaalsContact C-N 3.33Å; R229-K231 PolarHBondContact O-N 3.47Å; R229-Q232 PolarHBondContact O-N 3.26Å; R229-V233 WeakPolarHBondContact O-CG2 3.45Å; R229-V233 PolarHBondContact O-N 3.25Å; R229-V233 VanDerWaalsContact O-N 3.09Å |
| 230 | K | 73.1 | Confident | 69.6 | Low | 136 Ų | 136 | 116.6 Ų | 116.6 | 59% | 0.591 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.4 | -38 | 177.3 | -70 | -178.5 | -179.7 | -175 | 0 | 113.1 | E226 K227 V233 L234 | E226-K230 PolarHBondContact O-N 3.45Å; E226-K230 VanDerWaalsContact O-N 3.12Å; E226-K230 WeakPolarHBondContact OE1-CE 3.23Å; K227-K230 PolarHBondContact O-N 3.2Å; K230-V233 PolarHBondContact O-N 3.09Å; K230-L234 PolarHBondContact O-N 3.2Å |
| 231 | K | 72.1 | Confident | 69.2 | Low | 140 Ų | 140 | 115.5 Ų | 115.5 | 61% | 0.609 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.7 | -38.6 | 174.9 | -71 | 179.7 | 178.9 | -174.1 | 0 | 112.6 | K227 N228 R229 L234 I235 | K227-K231 WeakPolarHBondContact O-CG 3.45Å; K227-K231 PolarHBondContact O-N 3.4Å; N228-K231 PolarHBondContact O-N 3.33Å; R229-K231 VanDerWaalsContact C-N 3.33Å; R229-K231 PolarHBondContact O-N 3.47Å; K231-L234 PolarHBondContact O-N 3.37Å; K231-I235 WeakPolarHBondContact O-CG1 3.43Å; K231-I235 PolarHBondContact O-N 3.38Å |
| 232 | Q | 69.1 | Low | 68.9 | Low | 142 Ų | 142 | 116.6 Ų | 116.6 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.6 | -34.6 | 177.4 | -70.9 | -166.3 | 31.5 | 0 | 0 | 112.7 | N228 R229 L234 I235 K236 | N228-Q232 PolarHBondContact O-N 2.99Å; N228-Q232 VanDerWaalsContact O-N 3.09Å; R229-Q232 PolarHBondContact O-N 3.26Å; Q232-L234 VanDerWaalsContact C-N 3.31Å; Q232-L234 PolarHBondContact O-N 3.3Å; Q232-I235 PolarHBondContact O-N 3.26Å; Q232-K236 PolarHBondContact O-N 3.49Å |
| 233 | V | 71.7 | Confident | 68.6 | Low | 98 Ų | 98 | 120.2 Ų | 120.2 | 59% | 0.594 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.9 | -38.1 | 174.5 | 175.4 | 0 | 0 | 0 | 0 | 111 | R229 K230 I235 K236 G237 | R229-V233 WeakPolarHBondContact O-CG2 3.45Å; R229-V233 PolarHBondContact O-N 3.25Å; R229-V233 VanDerWaalsContact O-N 3.09Å; K230-V233 PolarHBondContact O-N 3.09Å; V233-I235 VanDerWaalsContact C-N 3.29Å; V233-I235 PolarHBondContact O-N 3.39Å; V233-K236 PolarHBondContact O-N 3.11Å; V233-G237 PolarHBondContact O-N 3.35Å; V233-G237 VanDerWaalsContact O-N 3.11Å |
| 234 | L | 62.6 | Low | 68.5 | Low | 153 Ų | 153 | 124.8 Ų | 124.8 | 80% | 0.801 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.1 | -24.2 | 177.5 | -121.3 | 76.4 | 0 | 0 | 0 | 114.3 | K230 K231 Q232 | K230-L234 PolarHBondContact O-N 3.2Å; K231-L234 PolarHBondContact O-N 3.37Å; Q232-L234 VanDerWaalsContact C-N 3.31Å; Q232-L234 PolarHBondContact O-N 3.3Å |
| 235 | I | 61.9 | Low | 68.3 | Low | 143 Ų | 143 | 125.5 Ų | 125.5 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -85.7 | -25 | 178.9 | -64.6 | 166.8 | 0 | 0 | 0 | 111.3 | K231 Q232 V233 | K231-I235 WeakPolarHBondContact O-CG1 3.43Å; K231-I235 PolarHBondContact O-N 3.38Å; Q232-I235 PolarHBondContact O-N 3.26Å; V233-I235 VanDerWaalsContact C-N 3.29Å; V233-I235 PolarHBondContact O-N 3.39Å |
| 236 | K | 59.1 | Low | 67.9 | Low | 199 Ų | 199 | 130.8 Ų | 130.8 | 87% | 0.865 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -100.5 | -9.1 | -176.1 | -117.8 | 177.5 | 179.5 | 178.8 | 0 | 114.4 | Q232 V233 | Q232-K236 PolarHBondContact O-N 3.49Å; V233-K236 PolarHBondContact O-N 3.11Å |
| 237 | G | 50.6 | Low | 67.6 | Low | 126 Ų | 126 | 136.3 Ų | 136.3 | 100% | 1.299 | 70% | 0.701 | S | S | * | * | trans | -94.2 | 0 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V233 | V233-G237 PolarHBondContact O-N 3.35Å; V233-G237 VanDerWaalsContact O-N 3.11Å |
Retrieved 237 of 237 residues in 51.8 ms
(Link to these results)