| 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 | 43 | Very low | 41.2 | Very low | 250 Ų | 250 | 185.9 Ų | 185.9 | 100% | 1.232 | 91% | 0.911 | S | S | * | * | 0 | 80.8 | 0 | -73.7 | -72.1 | -151.6 | 0 | 0 | 109.3 | |||||
| 2 | A | 38.7 | Very low | 41 | Very low | 100 Ų | 100 | 178.4 Ų | 178.4 | 83% | 0.826 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 118.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | R4 | A2-R4 PolarHBondContact O-N 3Š|
| 3 | A | 43.4 | Very low | 41.2 | Very low | 101 Ų | 101 | 173.5 Ų | 173.5 | 84% | 0.835 | 89% | 0.885 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 127.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R5 | A3-R5 PolarHBondContact O-N 3.01Š|
| 4 | R | 44.3 | Very low | 41.5 | Very low | 244 Ų | 244 | 173.5 Ų | 173.5 | 92% | 0.921 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 118.6 | -179.4 | -69.5 | 175.6 | 172 | -177.2 | -3.8 | 110.7 | A2 R6 | A2-R4 PolarHBondContact O-N 3Å; R4-R6 PolarHBondContact O-N 3.42Å |
| 5 | R | 44.8 | Very low | 41.8 | Very low | 249 Ų | 249 | 171 Ų | 171 | 94% | 0.94 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 116.2 | 165.4 | -72.5 | 177.8 | 174.2 | 171.3 | -2.3 | 109.2 | A3 | A3-R5 PolarHBondContact O-N 3.01Š|
| 6 | R | 43.2 | Very low | 42.6 | Very low | 245 Ų | 245 | 165.1 Ų | 165.1 | 93% | 0.925 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 121.5 | 165 | -81.1 | -173.8 | 172.9 | -173.6 | -1.1 | 109.3 | R4 | R4-R6 PolarHBondContact O-N 3.42Š|
| 7 | L | 38.6 | Very low | 42.7 | Very low | 169 Ų | 169 | 166.6 Ų | 166.6 | 89% | 0.885 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 120.3 | 174.7 | -70.1 | 155.6 | 0 | 0 | 0 | 110.1 | R9 | L7-R9 PolarHBondContact O-N 3.35Š|
| 8 | K | 40.6 | Very low | 43.1 | Very low | 206 Ų | 206 | 164.8 Ų | 164.8 | 90% | 0.896 | 86% | 0.862 | S | S | * | * | trans | -77.9 | 114.6 | 161.9 | -90.5 | -177.7 | 174.7 | 180 | 0 | 107.9 | V10 | K8-V10 PolarHBondContact O-N 3.49Š| ||
| 9 | R | 38.8 | Very low | 43.1 | Very low | 246 Ų | 246 | 162.1 Ų | 162.1 | 93% | 0.928 | 86% | 0.858 | S | S | * | * | trans | -68 | 117 | 169.5 | -66.8 | -179.8 | -177.8 | 179.3 | -0.5 | 108.1 | L7 | L7-R9 PolarHBondContact O-N 3.35Š| ||
| 10 | V | 37.7 | Very low | 43.4 | Very low | 138 Ų | 138 | 162.4 Ų | 162.4 | 84% | 0.836 | 85% | 0.852 | S | S | * | * | trans | -82.3 | 114.1 | 163.8 | 175.1 | 0 | 0 | 0 | 0 | 106 | K8 S12 | K8-V10 PolarHBondContact O-N 3.49Å; V10-S12 PolarHBondContact O-N 3.14Å | ||
| 11 | A | 39.7 | Very low | 43.5 | Very low | 97 Ų | 97 | 164.1 Ų | 164.1 | 80% | 0.802 | 85% | 0.853 | S | S | * | * | trans | -73.6 | 115.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | S13 | A11-S13 PolarHBondContact O-N 3.37Š| ||
| 12 | S | 39.6 | Very low | 43.4 | Very low | 96 Ų | 96 | 155.9 Ų | 155.9 | 67% | 0.671 | 82% | 0.82 | S | S | * | * | trans | -71 | 114.7 | 168.8 | 54.3 | 0 | 0 | 0 | 0 | 108.8 | V10 Q14 | V10-S12 PolarHBondContact O-N 3.14Å; S12-Q14 PolarHBondContact O-N 2.86Å | ||
| 13 | S | 43.1 | Very low | 43.9 | Very low | 115 Ų | 115 | 157.1 Ų | 157.1 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -63.8 | 115.3 | 171.3 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | A11 | A11-S13 PolarHBondContact O-N 3.37Š| ||
| 14 | Q | 45.1 | Very low | 44 | Very low | 173 Ų | 173 | 156.7 Ų | 156.7 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -73.7 | 124.8 | 171.3 | -72.3 | -96.4 | -37 | 0 | 0 | 109.1 | S12 G16 | S12-Q14 PolarHBondContact O-N 2.86Å; Q14-G16 PolarHBondContact O-N 3.21Å | ||
| 15 | P | 47.2 | Very low | 43.8 | Very low | 136 Ų | 136 | 151.6 Ų | 151.6 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -88 | 91.7 | -178.6 | 33.7 | -29.6 | 0 | 0 | 0 | 109.3 | ||
| 16 | G | 54 | Low | 44 | Very low | 76 Ų | 76 | 145.3 Ų | 145.3 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | -167.7 | 15.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q14 | Q14-G16 PolarHBondContact O-N 3.21Š| ||
| 17 | F | 44.3 | Very low | 44 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -121.7 | 123.1 | 175 | -148.2 | -97.7 | 0 | 0 | 0 | 107.4 | S19 | F17-S19 PolarHBondContact O-N 3.4Š|
| 18 | L | 49.9 | Very low | 44.2 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -47.4 | 113.2 | 173.8 | -70.3 | 165.1 | 0 | 0 | 0 | 108.4 | F20 | L18-F20 HydrophobicContact CB-CD2 4.1Å; L18-F20 HydrophobicContact CB-CE2 3.82Å; L18-F20 HydrophobicContact CB-CZ 4.45Å; L18-F20 HydrophobicContact CD1-CE2 4.09Å; L18-F20 HydrophobicContact CD1-CZ 4.24Å; L18-F20 PolarHBondContact O-N 3.11Å | ||
| 19 | S | 43 | Very low | 44.3 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -71.4 | 80.9 | 173.6 | 54.7 | 0 | 0 | 0 | 0 | 108.4 | F17 K21 | F17-S19 PolarHBondContact O-N 3.4Å; S19-K21 PolarHBondContact O-N 2.86Å | ||
| 20 | F | 48.9 | Very low | 44.4 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 74% | 0.737 | 77% | 0.77 | S | S | * | * | trans | -63 | 109.8 | 161.6 | -72 | -75.9 | 0 | 0 | 0 | 106.7 | L18 S22 | L18-F20 HydrophobicContact CB-CD2 4.1Å; L18-F20 HydrophobicContact CB-CE2 3.82Å; L18-F20 HydrophobicContact CB-CZ 4.45Å; L18-F20 HydrophobicContact CD1-CE2 4.09Å; L18-F20 HydrophobicContact CD1-CZ 4.24Å; L18-F20 PolarHBondContact O-N 3.11Å; F20-S22 PolarHBondContact O-N 2.89Å | ||
| 21 | K | 46.2 | Very low | 44.9 | Very low | 198 Ų | 198 | 123.2 Ų | 123.2 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -53.1 | 105.7 | 178.7 | -76 | 175.8 | 176.5 | 171.4 | 0 | 109.7 | S19 | S19-K21 PolarHBondContact O-N 2.86Š| ||
| 22 | S | 41.2 | Very low | 45.5 | Very low | 78 Ų | 78 | 122.7 Ų | 122.7 | 55% | 0.545 | 75% | 0.753 | S | S | . | * | trans | -68 | 136.5 | 165.8 | 46.3 | 0 | 0 | 0 | 0 | 109.3 | F20 S24 | F20-S22 PolarHBondContact O-N 2.89Å; S22-S24 PolarHBondContact O-N 3.1Å | ||
| 23 | P | 48.7 | Very low | 46.3 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 12.4 | -168.2 | 31.4 | -36 | 0 | 0 | 0 | 114.9 | ||
| 24 | S | 45.6 | Very low | 47.1 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -5.7 | -172.7 | 56.4 | 0 | 0 | 0 | 0 | 115.6 | S22 | S22-S24 PolarHBondContact O-N 3.1Š|
| 25 | D | 40.1 | Very low | 48.1 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -105.6 | 73.8 | 174.3 | -71.8 | -19.2 | 0 | 0 | 0 | 110.6 | ||||
| 26 | T | 47.8 | Very low | 49.1 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -103.8 | 51.4 | 179.6 | 47.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 27 | T | 44.4 | Very low | 49.9 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -127.4 | 10.2 | 170.7 | 56.1 | 0 | 0 | 0 | 0 | 115 | ||
| 28 | A | 42.6 | Very low | 51.3 | Low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -153.9 | 38.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 29 | S | 42.4 | Very low | 52.5 | Low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | trans | -141.2 | 85 | 164.7 | -174.3 | 0 | 0 | 0 | 0 | 109 | G31 | S29-G31 VanDerWaalsContact C-N 3.27Å; S29-G31 PolarHBondContact O-N 3.47Å | ||
| 30 | V | 40.7 | Very low | 54.3 | Low | 138 Ų | 138 | 135.5 Ų | 135.5 | 84% | 0.836 | 72% | 0.719 | S | S | * | * | trans | -56 | 105.3 | 152.2 | 174.1 | 0 | 0 | 0 | 0 | 105 | S32 | V30-S32 PolarHBondContact O-N 3.21Š| ||
| 31 | G | 48.8 | Very low | 55.9 | Low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | trans | -58.7 | 86.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | S29 R33 | S29-G31 VanDerWaalsContact C-N 3.27Å; S29-G31 PolarHBondContact O-N 3.47Å; G31-R33 PolarHBondContact O-N 3.4Å | ||
| 32 | S | 51.5 | Low | 57.6 | Low | 86 Ų | 86 | 133.3 Ų | 133.3 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | trans | -57.5 | 107 | 171.5 | 162.3 | 0 | 0 | 0 | 0 | 105.9 | V30 R34 | V30-S32 PolarHBondContact O-N 3.21Å; S32-R34 PolarHBondContact O-N 3.15Å | ||
| 33 | R | 56.9 | Low | 59.6 | Low | 228 Ų | 228 | 136.6 Ų | 136.6 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | trans | -40.9 | 122 | 166.7 | -78.7 | -180 | 176.5 | 170.4 | -1.2 | 107.3 | G31 K35 | G31-R33 PolarHBondContact O-N 3.4Å; R33-K35 PolarHBondContact O-N 3.35Å | ||
| 34 | R | 60.1 | Low | 61.2 | Low | 241 Ų | 241 | 132.6 Ų | 132.6 | 91% | 0.909 | 69% | 0.685 | S | S | * | * | trans | -52.1 | 107.5 | 177.9 | -73.3 | -177.5 | -176.2 | 170.5 | 0.5 | 107.1 | S32 R36 | S32-R34 PolarHBondContact O-N 3.15Å; R34-R36 PolarHBondContact O-N 3.43Å; R34-R36 VanDerWaalsContact O-N 3.07Å | ||
| 35 | K | 65.5 | Low | 62.8 | Low | 155 Ų | 155 | 135.6 Ų | 135.6 | 67% | 0.674 | 68% | 0.683 | S | S | * | * | trans | -59.8 | 119.6 | 178.7 | -72.7 | -178.4 | 178.6 | 177.4 | 0 | 106.1 | R33 V37 | R33-K35 PolarHBondContact O-N 3.35Å; K35-V37 HydrophobicContact CB-CG2 3.75Å; K35-V37 PolarHBondContact O-N 3.45Å | ||
| 36 | R | 68.3 | Low | 64.7 | Low | 259 Ų | 259 | 134.5 Ų | 134.5 | 98% | 0.977 | 68% | 0.677 | S | S | * | * | trans | -70.2 | 84.4 | 173.4 | -74.6 | -176.1 | 171 | -173.3 | -2.5 | 107.5 | R34 | R34-R36 PolarHBondContact O-N 3.43Å; R34-R36 VanDerWaalsContact O-N 3.07Å | ||
| 37 | V | 70.8 | Confident | 66.2 | Low | 43 Ų | 43 | 135.6 Ų | 135.6 | 26% | 0.261 | 67% | 0.672 | S | S | . | * | trans | -97.6 | 135.3 | 178.1 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | K35 K39 N44 Y48 | K35-V37 HydrophobicContact CB-CG2 3.75Å; K35-V37 PolarHBondContact O-N 3.45Å; V37-K39 PolarHBondContact O-N 3.33Å; V37-N44 HydrophobicContact CG1-CB 4.05Å; V37-N44 WeakPolarHBondContact CG1-ND2 3.3Å; V37-Y48 HydrophobicContact CB-CD2 4.08Å; V37-Y48 HydrophobicContact CB-CE2 4.29Å; V37-Y48 HydrophobicContact CG1-CD2 3.94Å; V37-Y48 HydrophobicContact CG1-CE2 3.84Å; V37-Y48 HydrophobicContact CG2-CD1 4.34Å; V37-Y48 HydrophobicContact CG2-CD2 4Å; V37-Y48 HydrophobicContact CG2-CE1 4.3Å; V37-Y48 HydrophobicContact CG2-CE2 3.96Å; V37-Y48 HydrophobicContact CG2-CG 4.19Å | ||
| 38 | N | 74.4 | Confident | 67.8 | Low | 101 Ų | 101 | 134.6 Ų | 134.6 | 54% | 0.54 | 65% | 0.653 | S | S | . | * | trans | -59.7 | 118.3 | 175.4 | -175.6 | -16.2 | 0 | 0 | 0 | 110.4 | N40 N44 | N38-N40 VanDerWaalsContact C-N 3.34Å; N38-N40 VanDerWaalsContact OD1-CB 3.25Å; N38-N40 WeakPolarHBondContact OD1-CB 3.22Å; N38-N40 PolarHBondContact OD1-N 3.28Å; N38-N40 PolarHBondContact OD1-ND2 2.89Å; N38-N40 PolarHBondContact OD1-OD1 3.25Å; N38-N44 WeakPolarHBondContact O-CB 3.24Å; N38-N44 PolarHBondContact O-ND2 2.92Å | ||
| 39 | K | 75.1 | Confident | 69.5 | Low | 132 Ų | 132 | 131.4 Ų | 131.4 | 57% | 0.574 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 5.7 | -175.8 | -65.8 | -172.4 | 179.1 | -173.6 | 0 | 114.1 | V37 K41 | V37-K39 PolarHBondContact O-N 3.33Å; K39-K41 PolarHBondContact O-N 3Å; K39-K41 VanDerWaalsContact O-N 3.14Å |
| 40 | N | 81 | Confident | 71.4 | Confident | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -15.4 | -178.5 | -62.4 | -0.8 | 0 | 0 | 0 | 113.5 | N38 | N38-N40 VanDerWaalsContact C-N 3.34Å; N38-N40 VanDerWaalsContact OD1-CB 3.25Å; N38-N40 WeakPolarHBondContact OD1-CB 3.22Å; N38-N40 PolarHBondContact OD1-N 3.28Å; N38-N40 PolarHBondContact OD1-ND2 2.89Å; N38-N40 PolarHBondContact OD1-OD1 3.25Å |
| 41 | K | 81.9 | Confident | 73.5 | Confident | 156 Ų | 156 | 129.9 Ų | 129.9 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -109.6 | 131.6 | 178 | -63.8 | -176.4 | -179.7 | -178.7 | 0 | 111 | K39 K43 N44 W45 | K39-K41 PolarHBondContact O-N 3Å; K39-K41 VanDerWaalsContact O-N 3.14Å; K41-K43 PolarHBondContact O-N 3.46Å; K41-K43 VanDerWaalsContact O-N 3.1Å; K41-N44 PolarHBondContact O-N 3.38Å; K41-W45 PolarHBondContact O-N 3.33Å |
| 42 | K | 81.9 | Confident | 75.3 | Confident | 164 Ų | 164 | 131.4 Ų | 131.4 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -50.7 | -37.1 | 178.6 | -170.2 | 174.7 | -177.4 | 176.9 | 0 | 113.7 | N44 W45 N46 | K42-N44 VanDerWaalsContact C-N 3.28Å; K42-N44 PolarHBondContact O-N 2.98Å; K42-W45 PolarHBondContact O-N 2.91Å; K42-W45 VanDerWaalsContact O-N 3.15Å; K42-N46 PolarHBondContact O-N 3.34Å; K42-N46 PolarHBondContact O-OD1 3.04Å |
| 43 | K | 82 | Confident | 77.1 | Confident | 146 Ų | 146 | 133.4 Ų | 133.4 | 64% | 0.635 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.5 | -33.6 | 177.7 | -170.6 | 176 | -177.7 | 177.9 | 0 | 113.3 | K41 K47 | K41-K43 PolarHBondContact O-N 3.46Å; K41-K43 VanDerWaalsContact O-N 3.1Å; K43-K47 WeakPolarHBondContact O-CG 3.24Å |
| 44 | N | 82.4 | Confident | 78.6 | Confident | 41 Ų | 41 | 126.3 Ų | 126.3 | 22% | 0.219 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -80 | -33.6 | 177.2 | -70.6 | -9.7 | 0 | 0 | 0 | 111.1 | V37 N38 K41 K42 K47 Y48 | V37-N44 HydrophobicContact CG1-CB 4.05Å; V37-N44 WeakPolarHBondContact CG1-ND2 3.3Å; N38-N44 WeakPolarHBondContact O-CB 3.24Å; N38-N44 PolarHBondContact O-ND2 2.92Å; K41-N44 PolarHBondContact O-N 3.38Å; K42-N44 VanDerWaalsContact C-N 3.28Å; K42-N44 PolarHBondContact O-N 2.98Å; N44-K47 PolarHBondContact O-N 3.29Å; N44-Y48 HydrophobicContact CB-CD2 4.19Å; N44-Y48 WeakPolarHBondContact O-CD2 3.43Å; N44-Y48 PolarHBondContact O-N 3.42Å; N44-Y48 VanDerWaalsContact O-N 3.1Å |
| 45 | W | 80 | Confident | 80 | Confident | 157 Ų | 157 | 118.2 Ų | 118.2 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64 | -43.3 | 176.1 | -156 | 37.6 | 0 | 0 | 0 | 111.8 | K41 K42 K47 S49 | K41-W45 PolarHBondContact O-N 3.33Å; K42-W45 PolarHBondContact O-N 2.91Å; K42-W45 VanDerWaalsContact O-N 3.15Å; W45-K47 VanDerWaalsContact C-N 3.3Å; W45-K47 PolarHBondContact O-N 3.43Å; W45-S49 PolarHBondContact NE1-OG 2.98Å; W45-S49 WeakPolarHBondContact O-CB 3.49Å; W45-S49 PolarHBondContact O-N 3.33Å; W45-S49 PolarHBondContact O-OG 2.88Å |
| 46 | N | 79.4 | Confident | 81.3 | Confident | 114 Ų | 114 | 116.6 Ų | 116.6 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.9 | -23.5 | 177.4 | -69.1 | 14.1 | 0 | 0 | 0 | 114.3 | K42 | K42-N46 PolarHBondContact O-N 3.34Å; K42-N46 PolarHBondContact O-OD1 3.04Å |
| 47 | K | 79.3 | Confident | 82.4 | Confident | 140 Ų | 140 | 110.5 Ų | 110.5 | 61% | 0.609 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -99.9 | -26.1 | -173.1 | -75.1 | -172.7 | 176.7 | -156.3 | 0 | 114.5 | K43 N44 W45 | K43-K47 WeakPolarHBondContact O-CG 3.24Å; N44-K47 PolarHBondContact O-N 3.29Å; W45-K47 VanDerWaalsContact C-N 3.3Å; W45-K47 PolarHBondContact O-N 3.43Å |
| 48 | Y | 78 | Confident | 83.4 | Confident | 122 Ų | 122 | 111.5 Ų | 111.5 | 48% | 0.478 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -124 | 0.5 | -170 | -58.2 | -71.1 | 0 | 0 | 0 | 113.6 | V37 N44 | V37-Y48 HydrophobicContact CB-CD2 4.08Å; V37-Y48 HydrophobicContact CB-CE2 4.29Å; V37-Y48 HydrophobicContact CG1-CD2 3.94Å; V37-Y48 HydrophobicContact CG1-CE2 3.84Å; V37-Y48 HydrophobicContact CG2-CD1 4.34Å; V37-Y48 HydrophobicContact CG2-CD2 4Å; V37-Y48 HydrophobicContact CG2-CE1 4.3Å; V37-Y48 HydrophobicContact CG2-CE2 3.96Å; V37-Y48 HydrophobicContact CG2-CG 4.19Å; N44-Y48 HydrophobicContact CB-CD2 4.19Å; N44-Y48 WeakPolarHBondContact O-CD2 3.43Å; N44-Y48 PolarHBondContact O-N 3.42Å; N44-Y48 VanDerWaalsContact O-N 3.1Å |
| 49 | S | 79.4 | Confident | 84.2 | Confident | 35 Ų | 35 | 112.2 Ų | 112.2 | 25% | 0.245 | 54% | 0.538 | C | S | . | . | trans | -92.5 | 117 | 165.3 | -56.4 | 0 | 0 | 0 | 0 | 107.8 | W45 | W45-S49 PolarHBondContact NE1-OG 2.98Å; W45-S49 WeakPolarHBondContact O-CB 3.49Å; W45-S49 PolarHBondContact O-N 3.33Å; W45-S49 PolarHBondContact O-OG 2.88Å | ||
| 50 | D | 82.4 | Confident | 84.9 | Confident | 133 Ų | 133 | 110.7 Ų | 110.7 | 71% | 0.711 | 54% | 0.537 | S | S | * | . | trans | -83.7 | 111.4 | 169.8 | -167.5 | 0 | 0 | 0 | 0 | 107.4 | N52 | D50-N52 WeakPolarHBondContact OD1-CB 3.33Å; D50-N52 PolarHBondContact OD1-N 3.3Å; D50-N52 PolarHBondContact OD1-ND2 2.82Å | ||
| 51 | V | 84.4 | Confident | 85.3 | Confident | 63 Ų | 63 | 105.4 Ų | 105.4 | 38% | 0.382 | 51% | 0.508 | S | S | . | . | trans | -114.5 | 4.5 | -178.3 | -168.2 | 0 | 0 | 0 | 0 | 110 | D53 V54 D55 | V51-D53 VanDerWaalsContact C-N 3.25Å; V51-D53 PolarHBondContact O-N 3.47Å; V51-V54 HydrophobicContact CG1-CB 3.84Å; V51-V54 HydrophobicContact CG1-CG1 4.38Å; V51-V54 HydrophobicContact CG1-CG2 4.38Å; V51-V54 PolarHBondContact O-N 2.9Å; V51-D55 PolarHBondContact O-N 3.49Å | ||
| 52 | N | 86.7 | Confident | 85.6 | Confident | 99 Ų | 99 | 102.7 Ų | 102.7 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.8 | -39.2 | -174.5 | -68.2 | -12.2 | 0 | 0 | 0 | 112.1 | D50 V54 D55 E56 | D50-N52 WeakPolarHBondContact OD1-CB 3.33Å; D50-N52 PolarHBondContact OD1-N 3.3Å; D50-N52 PolarHBondContact OD1-ND2 2.82Å; N52-V54 PolarHBondContact O-N 3.38Å; N52-D55 PolarHBondContact O-N 3Å; N52-E56 VanDerWaalsContact O-CB 3.28Å; N52-E56 WeakPolarHBondContact O-CB 3.27Å; N52-E56 VanDerWaalsContact O-CG 3.22Å; N52-E56 WeakPolarHBondContact O-CG 3.48Å; N52-E56 PolarHBondContact O-N 3.18Å |
| 53 | D | 88.8 | Confident | 85.8 | Confident | 128 Ų | 128 | 100 Ų | 100 | 68% | 0.684 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.2 | -42.8 | 175.7 | -175.3 | 14.3 | 0 | 0 | 0 | 112.4 | V51 F57 | V51-D53 VanDerWaalsContact C-N 3.25Å; V51-D53 PolarHBondContact O-N 3.47Å; D53-F57 WeakPolarHBondContact O-CB 3.47Å; D53-F57 PolarHBondContact O-N 2.88Å |
| 54 | V | 88.7 | Confident | 86.1 | Confident | 78 Ų | 78 | 96.4 Ų | 96.4 | 47% | 0.473 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.9 | -37.9 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | V51 N52 L58 | V51-V54 HydrophobicContact CG1-CB 3.84Å; V51-V54 HydrophobicContact CG1-CG1 4.38Å; V51-V54 HydrophobicContact CG1-CG2 4.38Å; V51-V54 PolarHBondContact O-N 2.9Å; N52-V54 PolarHBondContact O-N 3.38Å; V54-L58 HydrophobicContact CG1-CD1 4.12Å; V54-L58 HydrophobicContact CG1-CG 4.47Å; V54-L58 WeakPolarHBondContact O-CB 3.37Å; V54-L58 VanDerWaalsContact O-CG 3.24Å; V54-L58 WeakPolarHBondContact O-CG 3.3Å; V54-L58 PolarHBondContact O-N 2.87Å |
| 55 | D | 89.1 | Confident | 86.2 | Confident | 72 Ų | 72 | 98 Ų | 98 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 177.5 | -75.3 | -26.9 | 0 | 0 | 0 | 111.2 | V51 N52 L58 E59 | V51-D55 PolarHBondContact O-N 3.49Å; N52-D55 PolarHBondContact O-N 3Å; D55-L58 PolarHBondContact O-N 3.03Å; D55-E59 WeakPolarHBondContact O-CB 3.34Å; D55-E59 VanDerWaalsContact O-CG 3.28Å; D55-E59 WeakPolarHBondContact O-CG 3.49Å; D55-E59 PolarHBondContact O-N 2.98Å |
| 56 | E | 92.7 | Very high | 86.5 | Confident | 120 Ų | 120 | 96.8 Ų | 96.8 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.5 | -46.6 | 173.8 | -76.1 | 171.6 | -163.4 | 0 | 0 | 110.7 | N52 L58 E59 D60 | N52-E56 VanDerWaalsContact O-CB 3.28Å; N52-E56 WeakPolarHBondContact O-CB 3.27Å; N52-E56 VanDerWaalsContact O-CG 3.22Å; N52-E56 WeakPolarHBondContact O-CG 3.48Å; N52-E56 PolarHBondContact O-N 3.18Å; E56-L58 PolarHBondContact O-N 3.24Å; E56-E59 PolarHBondContact O-N 3.49Å; E56-D60 WeakPolarHBondContact O-CB 3.43Å; E56-D60 PolarHBondContact O-N 2.9Å |
| 57 | F | 91.8 | Very high | 86.7 | Confident | 131 Ų | 131 | 95.4 Ų | 95.4 | 58% | 0.575 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.5 | -43.3 | 175.2 | 175.5 | -104.8 | 0 | 0 | 0 | 113 | D53 D60 I61 | D53-F57 WeakPolarHBondContact O-CB 3.47Å; D53-F57 PolarHBondContact O-N 2.88Å; F57-D60 PolarHBondContact O-N 2.93Å; F57-I61 HydrophobicContact CD1-CD1 3.84Å; F57-I61 HydrophobicContact CE1-CD1 3.32Å; F57-I61 HydrophobicContact CE1-CG1 4.47Å; F57-I61 HydrophobicContact CE2-CD1 4.15Å; F57-I61 HydrophobicContact CG-CD1 4.46Å; F57-I61 HydrophobicContact CZ-CD1 3.5Å; F57-I61 HydrophobicContact CZ-CG1 4.37Å; F57-I61 WeakPolarHBondContact O-CG1 3.47Å; F57-I61 PolarHBondContact O-N 2.86Å |
| 58 | L | 92.2 | Very high | 86.8 | Confident | 64 Ų | 64 | 90.6 Ų | 90.6 | 34% | 0.335 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.7 | -32.2 | 177.2 | -70.3 | 175.2 | 0 | 0 | 0 | 112.3 | V54 D55 E56 I61 R62 | V54-L58 HydrophobicContact CG1-CD1 4.12Å; V54-L58 HydrophobicContact CG1-CG 4.47Å; V54-L58 WeakPolarHBondContact O-CB 3.37Å; V54-L58 VanDerWaalsContact O-CG 3.24Å; V54-L58 WeakPolarHBondContact O-CG 3.3Å; V54-L58 PolarHBondContact O-N 2.87Å; D55-L58 PolarHBondContact O-N 3.03Å; E56-L58 PolarHBondContact O-N 3.24Å; L58-I61 HydrophobicContact CD2-CD1 4.44Å; L58-R62 WeakPolarHBondContact O-CG 3.4Å; L58-R62 PolarHBondContact O-N 2.84Å |
| 59 | E | 89.9 | Confident | 86.8 | Confident | 116 Ų | 116 | 87 Ų | 87 | 54% | 0.542 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 173.1 | -77.9 | -176.7 | -179.5 | 0 | 0 | 111.8 | D55 E56 R62 H63 | D55-E59 WeakPolarHBondContact O-CB 3.34Å; D55-E59 VanDerWaalsContact O-CG 3.28Å; D55-E59 WeakPolarHBondContact O-CG 3.49Å; D55-E59 PolarHBondContact O-N 2.98Å; E56-E59 PolarHBondContact O-N 3.49Å; E59-R62 PolarHBondContact O-N 3.19Å; E59-H63 VanDerWaalsContact O-CB 3.32Å; E59-H63 WeakPolarHBondContact O-CB 3.47Å; E59-H63 PolarHBondContact O-N 2.95Å |
| 60 | D | 90 | Very high | 87 | Confident | 101 Ų | 101 | 86.3 Ų | 86.3 | 54% | 0.54 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 173.8 | -84.1 | -10.6 | 0 | 0 | 0 | 111.8 | E56 F57 R62 H63 Q64 | E56-D60 WeakPolarHBondContact O-CB 3.43Å; E56-D60 PolarHBondContact O-N 2.9Å; F57-D60 PolarHBondContact O-N 2.93Å; D60-R62 PolarHBondContact O-N 3.24Å; D60-H63 WeakPolarHBondContact O-CB 3.37Å; D60-H63 PolarHBondContact O-N 3.27Å; D60-Q64 WeakPolarHBondContact O-CG 3.43Å; D60-Q64 PolarHBondContact O-N 2.93Å |
| 61 | I | 90.5 | Very high | 87.1 | Confident | 33 Ų | 33 | 82.1 Ų | 82.1 | 17% | 0.169 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 173 | -72.7 | 166 | 0 | 0 | 0 | 110.6 | F57 L58 H63 Q64 E65 L71 | F57-I61 HydrophobicContact CD1-CD1 3.84Å; F57-I61 HydrophobicContact CE1-CD1 3.32Å; F57-I61 HydrophobicContact CE1-CG1 4.47Å; F57-I61 HydrophobicContact CE2-CD1 4.15Å; F57-I61 HydrophobicContact CG-CD1 4.46Å; F57-I61 HydrophobicContact CZ-CD1 3.5Å; F57-I61 HydrophobicContact CZ-CG1 4.37Å; F57-I61 WeakPolarHBondContact O-CG1 3.47Å; F57-I61 PolarHBondContact O-N 2.86Å; L58-I61 HydrophobicContact CD2-CD1 4.44Å; I61-H63 PolarHBondContact O-N 3.01Å; I61-Q64 WeakPolarHBondContact O-CB 3.49Å; I61-Q64 PolarHBondContact O-N 2.95Å; I61-Q64 VanDerWaalsContact O-N 3.17Å; I61-E65 HydrophobicContact CG2-CG 4.46Å; I61-E65 WeakPolarHBondContact O-CG 3.28Å; I61-E65 PolarHBondContact O-N 2.85Å; I61-L71 HydrophobicContact CG2-CD1 3.87Å |
| 62 | R | 87.6 | Confident | 87 | Confident | 100 Ų | 100 | 83.4 Ų | 83.4 | 38% | 0.377 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.4 | -34.6 | 178.5 | -70.1 | 171.5 | -158.8 | 131.3 | 0.3 | 111.7 | L58 E59 D60 R66 | L58-R62 WeakPolarHBondContact O-CG 3.4Å; L58-R62 PolarHBondContact O-N 2.84Å; E59-R62 PolarHBondContact O-N 3.19Å; D60-R62 PolarHBondContact O-N 3.24Å; R62-R66 VanDerWaalsContact O-CG 3.23Å; R62-R66 WeakPolarHBondContact O-CG 3.36Å; R62-R66 PolarHBondContact O-N 2.9Å |
| 63 | H | 87.5 | Confident | 86.9 | Confident | 108 Ų | 108 | 83.5 Ų | 83.5 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 177.2 | -176 | -86.3 | 0 | 0 | 0 | 111.5 | E59 D60 I61 R66 T67 | E59-H63 VanDerWaalsContact O-CB 3.32Å; E59-H63 WeakPolarHBondContact O-CB 3.47Å; E59-H63 PolarHBondContact O-N 2.95Å; D60-H63 WeakPolarHBondContact O-CB 3.37Å; D60-H63 PolarHBondContact O-N 3.27Å; I61-H63 PolarHBondContact O-N 3.01Å; H63-R66 PolarHBondContact O-N 3.2Å; H63-T67 WeakPolarHBondContact O-CB 3.23Å; H63-T67 PolarHBondContact O-N 3.43Å; H63-T67 PolarHBondContact O-OG1 2.84Å |
| 64 | Q | 87.7 | Confident | 86.7 | Confident | 70 Ų | 70 | 84.7 Ų | 84.7 | 33% | 0.327 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 173.7 | -69.1 | 176 | 26.8 | 0 | 0 | 111.5 | D60 I61 R66 T67 T68 G70 | D60-Q64 WeakPolarHBondContact O-CG 3.43Å; D60-Q64 PolarHBondContact O-N 2.93Å; I61-Q64 WeakPolarHBondContact O-CB 3.49Å; I61-Q64 PolarHBondContact O-N 2.95Å; I61-Q64 VanDerWaalsContact O-N 3.17Å; Q64-R66 PolarHBondContact O-N 3.35Å; Q64-T67 PolarHBondContact O-N 2.91Å; Q64-T68 WeakPolarHBondContact O-CA 3.46Å; Q64-T68 WeakPolarHBondContact O-CB 3.23Å; Q64-T68 PolarHBondContact O-N 3.14Å; Q64-T68 PolarHBondContact O-OG1 3.25Å; Q64-G70 CarbonylContact C-O 3.47Å |
| 65 | E | 85.1 | Confident | 86.5 | Confident | 74 Ų | 74 | 83.8 Ų | 83.8 | 35% | 0.346 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 175.7 | -71.5 | 177.4 | 167.7 | 0 | 0 | 112.4 | I61 G69 L71 V126 | I61-E65 HydrophobicContact CG2-CG 4.46Å; I61-E65 WeakPolarHBondContact O-CG 3.28Å; I61-E65 PolarHBondContact O-N 2.85Å; E65-G69 WeakPolarHBondContact O-CA 3.42Å; E65-G69 PolarHBondContact O-N 3.46Å; E65-L71 HydrophobicContact CG-CD1 4.48Å; E65-V126 HydrophobicContact CB-CG2 3.98Å |
| 66 | R | 85.6 | Confident | 86.5 | Confident | 131 Ų | 131 | 84.9 Ų | 84.9 | 49% | 0.494 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 178.5 | -72.8 | 171.9 | -160 | 146.7 | 3.1 | 112.8 | R62 H63 Q64 L125 V126 | R62-R66 VanDerWaalsContact O-CG 3.23Å; R62-R66 WeakPolarHBondContact O-CG 3.36Å; R62-R66 PolarHBondContact O-N 2.9Å; H63-R66 PolarHBondContact O-N 3.2Å; Q64-R66 PolarHBondContact O-N 3.35Å; R66-L125 PolarHBondContact O-N 2.89Å; R66-L125 VanDerWaalsContact O-N 3.12Å; R66-V126 HydrophobicContact CG-CG2 4.3Å |
| 67 | T | 83.8 | Confident | 86.1 | Confident | 86 Ų | 86 | 84.5 Ų | 84.5 | 53% | 0.528 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -83 | -37.7 | -170.4 | -49.2 | 0 | 0 | 0 | 0 | 112 | H63 Q64 L125 | H63-T67 WeakPolarHBondContact O-CB 3.23Å; H63-T67 PolarHBondContact O-N 3.43Å; H63-T67 PolarHBondContact O-OG1 2.84Å; Q64-T67 PolarHBondContact O-N 2.91Å; T67-L125 WeakPolarHBondContact O-CD1 3.45Å |
| 68 | T | 80.6 | Confident | 85.8 | Confident | 38 Ų | 38 | 85.5 Ų | 85.5 | 23% | 0.233 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -113.7 | -14 | -172.1 | 79.1 | 0 | 0 | 0 | 0 | 112.6 | Q64 G70 L72 K75 | Q64-T68 WeakPolarHBondContact O-CA 3.46Å; Q64-T68 WeakPolarHBondContact O-CB 3.23Å; Q64-T68 PolarHBondContact O-N 3.14Å; Q64-T68 PolarHBondContact O-OG1 3.25Å; T68-G70 PolarHBondContact OG1-O 2.99Å; T68-L72 HydrophobicContact CG2-CD1 4.15Å; T68-K75 VanDerWaalsContact O-CE 3.27Å; T68-K75 WeakPolarHBondContact O-CE 3.42Å; T68-K75 PolarHBondContact O-NZ 2.98Å |
| 69 | G | 78.6 | Confident | 85.4 | Confident | 48 Ų | 48 | 86.2 Ų | 86.2 | 50% | 0.495 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 83.3 | 15.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E65 | E65-G69 WeakPolarHBondContact O-CA 3.42Å; E65-G69 PolarHBondContact O-N 3.46Å |
| 70 | G | 82.5 | Confident | 85.1 | Confident | 20 Ų | 20 | 83.5 Ų | 83.5 | 21% | 0.206 | 45% | 0.45 | C | S | . | . | S | Bend | trans | 171.8 | -178 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q64 T68 | Q64-G70 CarbonylContact C-O 3.47Å; T68-G70 PolarHBondContact OG1-O 2.99Å |
| 71 | L | 84.8 | Confident | 84.8 | Confident | 45 Ų | 45 | 85.6 Ų | 85.6 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | trans | -70.2 | 139.8 | 170.8 | -94.2 | 67.1 | 0 | 0 | 0 | 110.2 | I61 E65 S73 E74 | I61-L71 HydrophobicContact CG2-CD1 3.87Å; E65-L71 HydrophobicContact CG-CD1 4.48Å; L71-S73 PolarHBondContact O-N 3.37Å; L71-E74 HydrophobicContact CB-CG 4.14Å; L71-E74 PolarHBondContact O-N 3.44Å | ||
| 72 | L | 82.1 | Confident | 84.4 | Confident | 89 Ų | 89 | 92 Ų | 92 | 47% | 0.466 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -63.7 | -29.7 | -179.6 | -152.9 | 74.5 | 0 | 0 | 0 | 112.1 | T68 E74 L80 | T68-L72 HydrophobicContact CG2-CD1 4.15Å; L72-E74 VanDerWaalsContact C-N 3.33Å; L72-E74 PolarHBondContact O-N 3.45Å; L72-L80 HydrophobicContact CD1-CD2 3.71Å; L72-L80 HydrophobicContact CG-CD2 4.03Å |
| 73 | S | 84.4 | Confident | 84.2 | Confident | 102 Ų | 102 | 94.7 Ų | 94.7 | 71% | 0.713 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -70.6 | -22.2 | 178.6 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | L71 | L71-S73 PolarHBondContact O-N 3.37Š|
| 74 | E | 86.3 | Confident | 83.7 | Confident | 152 Ų | 152 | 95.6 Ų | 95.6 | 71% | 0.71 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -93.9 | -10.4 | -177.3 | -64.5 | -177.7 | 168.8 | 0 | 0 | 112.7 | L71 L72 | L71-E74 HydrophobicContact CB-CG 4.14Å; L71-E74 PolarHBondContact O-N 3.44Å; L72-E74 VanDerWaalsContact C-N 3.33Å; L72-E74 PolarHBondContact O-N 3.45Å |
| 75 | K | 84.1 | Confident | 83 | Confident | 59 Ų | 59 | 98.9 Ų | 98.9 | 26% | 0.257 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -77.3 | 140.7 | -179.8 | -70 | -176 | 170.2 | -147.8 | 0 | 110.9 | T68 L80 | T68-K75 VanDerWaalsContact O-CE 3.27Å; T68-K75 WeakPolarHBondContact O-CE 3.42Å; T68-K75 PolarHBondContact O-NZ 2.98Å; K75-L80 HydrophobicContact CB-CD1 4.32Å; K75-L80 HydrophobicContact CB-CD2 4.03Å; K75-L80 HydrophobicContact CB-CG 4.05Å; K75-L80 HydrophobicContact CD-CD2 3.98Å |
| 76 | T | 89.4 | Confident | 82.1 | Confident | 95 Ų | 95 | 98.3 Ų | 98.3 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | trans | -67.5 | 145.2 | 173.2 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | D78 S79 L80 | T76-D78 PolarHBondContact O-N 2.98Å; T76-D78 VanDerWaalsContact O-N 3.14Å; T76-S79 WeakPolarHBondContact O-CB 3.33Å; T76-S79 PolarHBondContact O-N 2.92Å; T76-L80 PolarHBondContact O-N 3.2Å | ||
| 77 | D | 84.4 | Confident | 80.5 | Confident | 113 Ų | 113 | 100.9 Ų | 100.9 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -53.8 | -36.3 | -179.7 | -68.9 | -25.7 | 0 | 0 | 0 | 112.5 | S79 L80 F81 | D77-S79 PolarHBondContact O-N 3.39Å; D77-S79 VanDerWaalsContact O-N 3.15Å; D77-L80 PolarHBondContact O-N 3.47Å; D77-F81 HydrophobicContact CB-CD2 4.24Å; D77-F81 WeakPolarHBondContact O-CD2 3.46Å; D77-F81 PolarHBondContact O-N 2.79Å |
| 78 | D | 84.7 | Confident | 79.1 | Confident | 152 Ų | 152 | 102 Ų | 102 | 81% | 0.813 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.9 | -25.6 | 175.7 | -62.6 | -19.3 | 0 | 0 | 0 | 114.3 | T76 | T76-D78 PolarHBondContact O-N 2.98Å; T76-D78 VanDerWaalsContact O-N 3.14Å |
| 79 | S | 83.5 | Confident | 77.8 | Confident | 78 Ų | 78 | 109 Ų | 109 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -89.8 | -22.5 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 112.4 | T76 D77 | T76-S79 WeakPolarHBondContact O-CB 3.33Å; T76-S79 PolarHBondContact O-N 2.92Å; D77-S79 PolarHBondContact O-N 3.39Å; D77-S79 VanDerWaalsContact O-N 3.15Å |
| 80 | L | 82.9 | Confident | 76.1 | Confident | 59 Ų | 59 | 116 Ų | 116 | 31% | 0.309 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -88.6 | -37.7 | -178.5 | -66.8 | 174.6 | 0 | 0 | 0 | 110.9 | L72 K75 T76 D77 | L72-L80 HydrophobicContact CD1-CD2 3.71Å; L72-L80 HydrophobicContact CG-CD2 4.03Å; K75-L80 HydrophobicContact CB-CD1 4.32Å; K75-L80 HydrophobicContact CB-CD2 4.03Å; K75-L80 HydrophobicContact CB-CG 4.05Å; K75-L80 HydrophobicContact CD-CD2 3.98Å; T76-L80 PolarHBondContact O-N 3.2Å; D77-L80 PolarHBondContact O-N 3.47Å |
| 81 | F | 84.8 | Confident | 74.2 | Confident | 146 Ų | 146 | 120.8 Ų | 120.8 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | trans | -117.4 | 124.2 | -176.2 | -54.6 | -74.2 | 0 | 0 | 0 | 109.7 | D77 | D77-F81 HydrophobicContact CB-CD2 4.24Å; D77-F81 WeakPolarHBondContact O-CD2 3.46Å; D77-F81 PolarHBondContact O-N 2.79Å | ||
| 82 | F | 82.9 | Confident | 72.2 | Confident | 166 Ų | 166 | 126.6 Ų | 126.6 | 73% | 0.728 | 67% | 0.671 | S | S | * | * | trans | -109.2 | 131.5 | 163.3 | 66.6 | -83.2 | 0 | 0 | 0 | 107.8 | D84 | F82-D84 HydrophobicContact CD2-CB 4.09Å; F82-D84 HydrophobicContact CE2-CB 3.78Å; F82-D84 PolarHBondContact O-N 3.35Å | ||
| 83 | L | 82.1 | Confident | 70.3 | Confident | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | -77.6 | 103.9 | 169.9 | -68.1 | 175.1 | 0 | 0 | 0 | 107.5 | L85 | L83-L85 PolarHBondContact O-N 3.2Š| ||
| 84 | D | 77.7 | Confident | 68 | Low | 128 Ų | 128 | 132.2 Ų | 132.2 | 68% | 0.684 | 70% | 0.695 | S | S | * | * | trans | -73.2 | 77.2 | 172.8 | -159.8 | 5.8 | 0 | 0 | 0 | 109.5 | F82 G86 | F82-D84 HydrophobicContact CD2-CB 4.09Å; F82-D84 HydrophobicContact CE2-CB 3.78Å; F82-D84 PolarHBondContact O-N 3.35Å; D84-G86 VanDerWaalsContact C-N 3.26Å; D84-G86 PolarHBondContact O-N 2.99Å | ||
| 85 | L | 72.5 | Confident | 66 | Low | 138 Ų | 138 | 129.9 Ų | 129.9 | 72% | 0.723 | 70% | 0.702 | S | S | * | * | trans | -72.5 | 92.7 | 161.8 | -58.6 | 179.2 | 0 | 0 | 0 | 105.4 | L83 Q87 | L83-L85 PolarHBondContact O-N 3.2Å; L85-Q87 PolarHBondContact O-N 3.38Å | ||
| 86 | G | 66.3 | Low | 63.7 | Low | 62 Ų | 62 | 136.1 Ų | 136.1 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | trans | -40.4 | 134.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D84 | D84-G86 VanDerWaalsContact C-N 3.26Å; D84-G86 PolarHBondContact O-N 2.99Å | ||
| 87 | Q | 53 | Low | 60.9 | Low | 185 Ų | 185 | 137.8 Ų | 137.8 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | 0.4 | 99.2 | -172.6 | -67.5 | -169.1 | -3.6 | 0 | 0 | 115 | L85 E89 | L85-Q87 PolarHBondContact O-N 3.38Å; Q87-E89 PolarHBondContact O-N 2.91Å; Q87-E89 VanDerWaalsContact O-N 3.15Å | ||
| 88 | P | 53.6 | Low | 58.8 | Low | 109 Ų | 109 | 138.6 Ų | 138.6 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | -57.8 | 126.5 | 158.9 | 24.9 | -31.5 | 0 | 0 | 0 | 107.3 | K90 | P88-K90 PolarHBondContact O-N 3.41Š| ||
| 89 | E | 53.3 | Low | 56.3 | Low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -47.6 | 128.5 | 172.6 | -68.6 | -164.2 | 157 | 0 | 0 | 108.4 | Q87 P91 | Q87-E89 PolarHBondContact O-N 2.91Å; Q87-E89 VanDerWaalsContact O-N 3.15Å; E89-P91 VanDerWaalsContact O-CD 3.29Å; E89-P91 WeakPolarHBondContact O-CD 3.27Å | ||
| 90 | K | 42 | Very low | 54 | Low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | trans | -42.9 | 114.6 | -178.8 | -68.1 | 168.5 | -177.9 | 166.3 | 0 | 109 | P88 Q92 | P88-K90 PolarHBondContact O-N 3.41Å; K90-Q92 PolarHBondContact O-N 2.86Å | ||
| 91 | P | 43.9 | Very low | 51.6 | Low | 121 Ų | 121 | 146.3 Ų | 146.3 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -62.4 | 117.4 | 174 | 21.9 | -29.4 | 0 | 0 | 0 | 107.7 | E89 | E89-P91 VanDerWaalsContact O-CD 3.29Å; E89-P91 WeakPolarHBondContact O-CD 3.27Å | ||
| 92 | Q | 43.4 | Very low | 49.4 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -55.6 | 135.8 | 166.8 | -64.5 | -177.7 | -2.3 | 0 | 0 | 107.6 | K90 Q94 | K90-Q92 PolarHBondContact O-N 2.86Å; Q92-Q94 VanDerWaalsContact C-N 3.32Å; Q92-Q94 PolarHBondContact O-N 3.13Å | ||
| 93 | P | 41.4 | Very low | 47.3 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -69 | 94.9 | 176.9 | 27.5 | -31.1 | 0 | 0 | 0 | 108.5 | ||||
| 94 | Q | 36.6 | Very low | 45.2 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -69.1 | 131.4 | 166.4 | -73 | -174.9 | -5.7 | 0 | 0 | 108.5 | Q92 E96 | Q92-Q94 VanDerWaalsContact C-N 3.32Å; Q92-Q94 PolarHBondContact O-N 3.13Å; Q94-E96 PolarHBondContact O-N 2.98Å | ||
| 95 | A | 43.1 | Very low | 43.4 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -68.1 | 116.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 96 | E | 36.3 | Very low | 42 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -109 | 139.1 | 158.8 | -71.6 | -173.5 | 177.1 | 0 | 0 | 109.9 | Q94 | Q94-E96 PolarHBondContact O-N 2.98Š| ||
| 97 | T | 31.4 | Very low | 41.1 | Very low | 131 Ų | 131 | 164 Ų | 164 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | -56.4 | 154.1 | -166 | 50.1 | 0 | 0 | 0 | 0 | 116.4 | Q99 | T97-Q99 PolarHBondContact O-N 3.49Š| ||
| 98 | P | 38.8 | Very low | 40.9 | Very low | 129 Ų | 129 | 158.2 Ų | 158.2 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -82.1 | 112.3 | -177.8 | 31.4 | -31.7 | 0 | 0 | 0 | 112 | ||||
| 99 | Q | 32.1 | Very low | 41.1 | Very low | 190 Ų | 190 | 162.8 Ų | 162.8 | 89% | 0.888 | 85% | 0.846 | S | S | * | * | trans | -97.6 | 129.2 | 152.7 | -80.8 | -175.1 | -3.6 | 0 | 0 | 109.4 | T97 D101 | T97-Q99 PolarHBondContact O-N 3.49Å; Q99-D101 PolarHBondContact O-N 3.5Å | ||
| 100 | A | 36 | Very low | 41.3 | Very low | 96 Ų | 96 | 158.6 Ų | 158.6 | 79% | 0.793 | 84% | 0.843 | S | S | * | * | trans | -68.8 | 124.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 101 | D | 33.5 | Very low | 42.4 | Very low | 166 Ų | 166 | 154.3 Ų | 154.3 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -143.4 | 106.8 | 152.3 | -108 | -15 | 0 | 0 | 0 | 108.4 | Q99 | Q99-D101 PolarHBondContact O-N 3.5Š| ||
| 102 | E | 36.8 | Very low | 43.9 | Very low | 200 Ų | 200 | 159.7 Ų | 159.7 | 94% | 0.935 | 84% | 0.842 | S | S | * | * | trans | -69.2 | 139.6 | 175.8 | -68.2 | -148.7 | 154 | 0 | 0 | 111 | ||||
| 103 | G | 39.5 | Very low | 45.5 | Very low | 76 Ų | 76 | 154.7 Ų | 154.7 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | 123 | 6.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 104 | K | 37.3 | Very low | 47.6 | Very low | 202 Ų | 202 | 153.7 Ų | 153.7 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | -119.7 | 97.9 | 167.7 | -71.9 | 178.6 | -174.4 | 168.4 | 0 | 110.5 | R106 | K104-R106 PolarHBondContact O-N 2.68Š| ||
| 105 | K | 40.3 | Very low | 49.6 | Very low | 200 Ų | 200 | 155 Ų | 155 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -40.3 | 117.9 | 164.3 | -68.8 | 177.9 | 179.8 | 177.4 | 0 | 108.1 | R107 | K105-R107 VanDerWaalsContact C-N 3.34Å; K105-R107 PolarHBondContact O-N 2.92Å | ||
| 106 | R | 44.6 | Very low | 51.6 | Low | 245 Ų | 245 | 155.4 Ų | 155.4 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -44.2 | 101.5 | 169.3 | -68.9 | 176 | 170.5 | 179.7 | -4.1 | 107.2 | K104 G108 | K104-R106 PolarHBondContact O-N 2.68Å; R106-G108 VanDerWaalsContact C-N 3.27Å; R106-G108 PolarHBondContact O-N 3.38Å | ||
| 107 | R | 46.3 | Very low | 53.8 | Low | 246 Ų | 246 | 149.8 Ų | 149.8 | 93% | 0.928 | 77% | 0.771 | S | S | * | * | trans | -62.7 | 105.2 | 164.9 | -73.8 | -172.5 | 176.7 | -173.7 | 0.1 | 102.7 | K105 K109 | K105-R107 VanDerWaalsContact C-N 3.34Å; K105-R107 PolarHBondContact O-N 2.92Å; R107-K109 PolarHBondContact O-N 2.98Å | ||
| 108 | G | 49.3 | Very low | 56.3 | Low | 62 Ų | 62 | 147.8 Ų | 147.8 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | trans | -45.5 | 135.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | R106 A110 | R106-G108 VanDerWaalsContact C-N 3.27Å; R106-G108 PolarHBondContact O-N 3.38Å; G108-A110 PolarHBondContact O-N 3.15Å | ||
| 109 | K | 57.2 | Low | 58.5 | Low | 206 Ų | 206 | 147.5 Ų | 147.5 | 90% | 0.896 | 75% | 0.745 | S | S | * | * | trans | -31.5 | 112.3 | 171.5 | -62 | 175 | -179.1 | -177.4 | 0 | 106.9 | R107 S111 | R107-K109 PolarHBondContact O-N 2.98Å; K109-S111 PolarHBondContact O-N 3.47Å | ||
| 110 | A | 57.6 | Low | 61 | Low | 96 Ų | 96 | 145.2 Ų | 145.2 | 79% | 0.793 | 74% | 0.738 | S | S | * | * | trans | -50.5 | 113.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | G108 R112 | G108-A110 PolarHBondContact O-N 3.15Å; A110-R112 PolarHBondContact O-N 3.01Å | ||
| 111 | S | 65.7 | Low | 63.2 | Low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | -55.7 | 122.9 | -175.6 | 48.8 | 0 | 0 | 0 | 0 | 105.8 | K109 P113 | K109-S111 PolarHBondContact O-N 3.47Å; S111-P113 VanDerWaalsContact O-N 3.12Å | ||
| 112 | R | 73.9 | Confident | 65.4 | Low | 234 Ų | 234 | 142.7 Ų | 142.7 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | trans | -45 | 127.8 | 170.9 | -69.6 | 173.8 | 116.3 | 163.1 | 1.4 | 106.3 | A110 L114 | A110-R112 PolarHBondContact O-N 3.01Å; R112-L114 PolarHBondContact O-N 2.87Å | ||
| 113 | P | 78.2 | Confident | 67.5 | Low | 60 Ų | 60 | 140.7 Ų | 140.7 | 39% | 0.39 | 71% | 0.709 | S | S | . | * | trans | -51.9 | 142.8 | -177.5 | 21.7 | -33.3 | 0 | 0 | 0 | 108.9 | S111 D117 L118 | S111-P113 VanDerWaalsContact O-N 3.12Å; P113-D117 HydrophobicContact CB-CB 4.43Å; P113-L118 HydrophobicContact CB-CD2 4.33Å; P113-L118 HydrophobicContact CB-CG 4.14Å; P113-L118 HydrophobicContact CG-CD1 4.23Å; P113-L118 HydrophobicContact CG-CD2 3.55Å; P113-L118 HydrophobicContact CG-CG 3.73Å | ||
| 114 | L | 84.8 | Confident | 69.5 | Low | 111 Ų | 111 | 139.7 Ų | 139.7 | 58% | 0.581 | 69% | 0.69 | S | S | * | * | trans | -57.9 | 148.3 | 178.2 | -64.8 | 166.6 | 0 | 0 | 0 | 108.2 | R112 I116 D117 L118 | R112-L114 PolarHBondContact O-N 2.87Å; L114-I116 HydrophobicContact CB-CG1 3.73Å; L114-I116 HydrophobicContact CD1-CD1 4.34Å; L114-I116 HydrophobicContact CD1-CG1 4.43Å; L114-I116 PolarHBondContact O-N 2.96Å; L114-I116 VanDerWaalsContact O-N 3.09Å; L114-D117 WeakPolarHBondContact O-CA 3.43Å; L114-D117 PolarHBondContact O-N 2.99Å; L114-L118 PolarHBondContact O-N 2.95Å | ||
| 115 | R | 79.9 | Confident | 71.6 | Confident | 207 Ų | 207 | 135.3 Ų | 135.3 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -55.1 | -33.3 | 179.7 | -173.4 | 172 | 177.3 | 154.4 | -0.7 | 112.2 | L118 I119 | R115-L118 PolarHBondContact O-N 3.4Å; R115-I119 HydrophobicContact CG-CD1 4.3Å; R115-I119 WeakPolarHBondContact O-CD1 3.36Å; R115-I119 VanDerWaalsContact O-CG1 3.27Å; R115-I119 WeakPolarHBondContact O-CG1 3.38Å; R115-I119 PolarHBondContact O-N 2.87Å; R115-I119 VanDerWaalsContact O-N 3.15Å |
| 116 | I | 85.1 | Confident | 73.7 | Confident | 111 Ų | 111 | 128.5 Ų | 128.5 | 57% | 0.569 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.1 | -39 | 174.3 | 56.8 | 167.6 | 0 | 0 | 0 | 112.6 | L114 I119 L120 | L114-I116 HydrophobicContact CB-CG1 3.73Å; L114-I116 HydrophobicContact CD1-CD1 4.34Å; L114-I116 HydrophobicContact CD1-CG1 4.43Å; L114-I116 PolarHBondContact O-N 2.96Å; L114-I116 VanDerWaalsContact O-N 3.09Å; I116-I119 PolarHBondContact O-N 3.49Å; I116-L120 WeakPolarHBondContact O-CG 3.3Å; I116-L120 PolarHBondContact O-N 2.9Å |
| 117 | D | 81.2 | Confident | 75.3 | Confident | 71 Ų | 71 | 121.9 Ų | 121.9 | 38% | 0.38 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -75.7 | -32.7 | -179.5 | -60.1 | -28.7 | 0 | 0 | 0 | 110.6 | P113 L114 L120 Q121 | P113-D117 HydrophobicContact CB-CB 4.43Å; L114-D117 WeakPolarHBondContact O-CA 3.43Å; L114-D117 PolarHBondContact O-N 2.99Å; D117-L120 PolarHBondContact O-N 3.35Å; D117-Q121 WeakPolarHBondContact O-CG 3.26Å; D117-Q121 PolarHBondContact O-N 3.45Å |
| 118 | L | 84.3 | Confident | 76.9 | Confident | 88 Ų | 88 | 115.5 Ų | 115.5 | 46% | 0.461 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.9 | -39.7 | 171.7 | -77.1 | 170.7 | 0 | 0 | 0 | 112.2 | P113 L114 R115 L120 Q121 | P113-L118 HydrophobicContact CB-CD2 4.33Å; P113-L118 HydrophobicContact CB-CG 4.14Å; P113-L118 HydrophobicContact CG-CD1 4.23Å; P113-L118 HydrophobicContact CG-CD2 3.55Å; P113-L118 HydrophobicContact CG-CG 3.73Å; L114-L118 PolarHBondContact O-N 2.95Å; R115-L118 PolarHBondContact O-N 3.4Å; L118-L120 VanDerWaalsContact C-N 3.26Å; L118-L120 PolarHBondContact O-N 2.7Å; L118-Q121 PolarHBondContact O-N 3.29Å |
| 119 | I | 84.9 | Confident | 78.4 | Confident | 124 Ų | 124 | 118.4 Ų | 118.4 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.5 | -28.3 | 177.2 | -67.1 | 162 | 0 | 0 | 0 | 111.6 | R115 I116 | R115-I119 HydrophobicContact CG-CD1 4.3Å; R115-I119 WeakPolarHBondContact O-CD1 3.36Å; R115-I119 VanDerWaalsContact O-CG1 3.27Å; R115-I119 WeakPolarHBondContact O-CG1 3.38Å; R115-I119 PolarHBondContact O-N 2.87Å; R115-I119 VanDerWaalsContact O-N 3.15Å; I116-I119 PolarHBondContact O-N 3.49Å |
| 120 | L | 84.2 | Confident | 79 | Confident | 142 Ų | 142 | 116.9 Ų | 116.9 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -9.6 | 179 | -69 | 171.2 | 0 | 0 | 0 | 113.4 | I116 D117 L118 | I116-L120 WeakPolarHBondContact O-CG 3.3Å; I116-L120 PolarHBondContact O-N 2.9Å; D117-L120 PolarHBondContact O-N 3.35Å; L118-L120 VanDerWaalsContact C-N 3.26Å; L118-L120 PolarHBondContact O-N 2.7Å |
| 121 | Q | 82.1 | Confident | 79.5 | Confident | 104 Ų | 104 | 117 Ų | 117 | 49% | 0.486 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -72.1 | 143.1 | 173.6 | -76.9 | 175 | 4.1 | 0 | 0 | 109.9 | D117 L118 D123 | D117-Q121 WeakPolarHBondContact O-CG 3.26Å; D117-Q121 PolarHBondContact O-N 3.45Å; L118-Q121 PolarHBondContact O-N 3.29Å; Q121-D123 PolarHBondContact O-N 2.95Å |
| 122 | P | 80.9 | Confident | 79.6 | Confident | 105 Ų | 105 | 118.1 Ų | 118.1 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | trans | -65.3 | 132.8 | 178 | 27.4 | -33.6 | 0 | 0 | 0 | 110.4 | S124 | P122-S124 PolarHBondContact O-N 3.05Š| ||
| 123 | D | 79.6 | Confident | 79.1 | Confident | 157 Ų | 157 | 113.1 Ų | 113.1 | 84% | 0.84 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -67.7 | -22.6 | 179.3 | -62.5 | -33 | 0 | 0 | 0 | 112.8 | Q121 | Q121-D123 PolarHBondContact O-N 2.95Š|
| 124 | S | 81.7 | Confident | 78.3 | Confident | 56 Ų | 56 | 113.6 Ų | 113.6 | 39% | 0.392 | 61% | 0.614 | S | S | . | * | trans | -81.7 | 123.7 | 178.7 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | P122 V126 | P122-S124 PolarHBondContact O-N 3.05Å; S124-V126 PolarHBondContact O-N 3.25Å | ||
| 125 | L | 82.6 | Confident | 77.1 | Confident | 110 Ų | 110 | 116.8 Ų | 116.8 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | trans | -74.5 | -4.7 | 173.1 | -71.3 | 159.7 | 0 | 0 | 0 | 113.5 | R66 T67 | R66-L125 PolarHBondContact O-N 2.89Å; R66-L125 VanDerWaalsContact O-N 3.12Å; T67-L125 WeakPolarHBondContact O-CD1 3.45Å | ||
| 126 | V | 82.8 | Confident | 76.4 | Confident | 57 Ų | 57 | 113.2 Ų | 113.2 | 35% | 0.345 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -75.1 | 127.7 | 176.3 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | E65 R66 S124 | E65-V126 HydrophobicContact CB-CG2 3.98Å; R66-V126 HydrophobicContact CG-CG2 4.3Å; S124-V126 PolarHBondContact O-N 3.25Å |
| 127 | P | 79.9 | Confident | 75.5 | Confident | 106 Ų | 106 | 113.7 Ų | 113.7 | 69% | 0.688 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 137.6 | 177 | 26.2 | -33.6 | 0 | 0 | 0 | 110 | ||
| 128 | P | 80.1 | Confident | 75.1 | Confident | 111 Ų | 111 | 115.7 Ų | 115.7 | 72% | 0.721 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145.8 | 178.4 | 25.6 | -33.9 | 0 | 0 | 0 | 110.2 | K130 | P128-K130 PolarHBondContact O-N 3.38Š|
| 129 | P | 78.8 | Confident | 74.9 | Confident | 124 Ų | 124 | 117.1 Ų | 117.1 | 81% | 0.805 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 135 | 176 | 23.1 | -32.2 | 0 | 0 | 0 | 109.4 | D131 | P129-D131 PolarHBondContact O-N 3.23Š|
| 130 | K | 70.5 | Confident | 74.7 | Confident | 174 Ų | 174 | 113 Ų | 113 | 76% | 0.757 | 62% | 0.621 | S | S | * | * | trans | -60.8 | 109.7 | -179.2 | -68.4 | 177.8 | -177.4 | 173 | 0 | 108.7 | P128 I132 Y135 | P128-K130 PolarHBondContact O-N 3.38Å; K130-I132 PolarHBondContact O-N 3.5Å; K130-Y135 HydrophobicContact CB-CE2 4.25Å | ||
| 131 | D | 69.4 | Low | 74.6 | Confident | 98 Ų | 98 | 114.6 Ų | 114.6 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | trans | -70.3 | 99.9 | 174.9 | -170.1 | -3.7 | 0 | 0 | 0 | 109.2 | P129 L133 A134 Y135 | P129-D131 PolarHBondContact O-N 3.23Å; D131-L133 PolarHBondContact O-N 3.21Å; D131-L133 VanDerWaalsContact O-N 3.07Å; D131-L133 PolarHBondContact OD1-N 2.9Å; D131-A134 HydrophobicContact CB-CB 3.87Å; D131-A134 WeakPolarHBondContact O-CB 3.39Å; D131-A134 PolarHBondContact O-N 3.27Å; D131-Y135 VanDerWaalsContact O-CD2 3.25Å; D131-Y135 WeakPolarHBondContact O-CD2 3.22Å; D131-Y135 PolarHBondContact O-N 2.92Å | ||
| 132 | I | 66.4 | Low | 74.8 | Confident | 131 Ų | 131 | 116 Ų | 116 | 67% | 0.672 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -28 | -172.1 | -53.4 | 168.1 | 0 | 0 | 0 | 110.6 | K130 | K130-I132 PolarHBondContact O-N 3.5Š|
| 133 | L | 63.9 | Low | 75.1 | Confident | 129 Ų | 129 | 115.4 Ų | 115.4 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -34.9 | 177.5 | -63.7 | 175.7 | 0 | 0 | 0 | 112.8 | D131 Y135 Q136 | D131-L133 PolarHBondContact O-N 3.21Å; D131-L133 VanDerWaalsContact O-N 3.07Å; D131-L133 PolarHBondContact OD1-N 2.9Å; L133-Y135 VanDerWaalsContact C-N 3.26Å; L133-Y135 PolarHBondContact O-N 3.21Å; L133-Q136 PolarHBondContact O-N 3.38Å |
| 134 | A | 60.3 | Low | 75.5 | Confident | 70 Ų | 70 | 116.9 Ų | 116.9 | 58% | 0.579 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -28.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D131 | D131-A134 HydrophobicContact CB-CB 3.87Å; D131-A134 WeakPolarHBondContact O-CB 3.39Å; D131-A134 PolarHBondContact O-N 3.27Å |
| 135 | Y | 59.5 | Low | 75.9 | Confident | 177 Ų | 177 | 123 Ų | 123 | 69% | 0.694 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -13.5 | 175.8 | -68.2 | -79 | 0 | 0 | 0 | 113.8 | K130 D131 L133 Q137 | K130-Y135 HydrophobicContact CB-CE2 4.25Å; D131-Y135 VanDerWaalsContact O-CD2 3.25Å; D131-Y135 WeakPolarHBondContact O-CD2 3.22Å; D131-Y135 PolarHBondContact O-N 2.92Å; L133-Y135 VanDerWaalsContact C-N 3.26Å; L133-Y135 PolarHBondContact O-N 3.21Å; Y135-Q137 VanDerWaalsContact C-N 3.28Å; Y135-Q137 PolarHBondContact O-N 3.28Å |
| 136 | Q | 67.2 | Low | 76.2 | Confident | 132 Ų | 132 | 122.4 Ų | 122.4 | 62% | 0.617 | 62% | 0.622 | S | S | * | * | trans | -78.5 | 80.5 | 169.4 | -71.5 | -172.1 | 23.7 | 0 | 0 | 109.7 | L133 P138 | L133-Q136 PolarHBondContact O-N 3.38Å; Q136-P138 VanDerWaalsContact O-CD 3.22Å; Q136-P138 WeakPolarHBondContact O-CD 3.41Å; Q136-P138 VanDerWaalsContact O-N 3.14Å | ||
| 137 | Q | 65.7 | Low | 76.6 | Confident | 122 Ų | 122 | 122 Ų | 122 | 57% | 0.57 | 62% | 0.624 | S | S | * | * | trans | -62.9 | 116 | 170.5 | -69.8 | -177.5 | -15.8 | 0 | 0 | 109.1 | Y135 N139 A140 | Y135-Q137 VanDerWaalsContact C-N 3.28Å; Y135-Q137 PolarHBondContact O-N 3.28Å; Q137-N139 PolarHBondContact O-N 3.03Å; Q137-A140 HydrophobicContact CB-CB 4.12Å; Q137-A140 WeakPolarHBondContact O-CB 3.38Å; Q137-A140 PolarHBondContact O-N 2.84Å | ||
| 138 | P | 73.4 | Confident | 77.3 | Confident | 112 Ų | 112 | 122 Ų | 122 | 73% | 0.727 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 130.9 | 175.8 | 23.7 | -32.5 | 0 | 0 | 0 | 108.6 | Q136 A140 | Q136-P138 VanDerWaalsContact O-CD 3.22Å; Q136-P138 WeakPolarHBondContact O-CD 3.41Å; Q136-P138 VanDerWaalsContact O-N 3.14Å; P138-A140 PolarHBondContact O-N 3.44Å |
| 139 | N | 78.3 | Confident | 77.8 | Confident | 119 Ų | 119 | 123.2 Ų | 123.2 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.4 | 26.2 | -175.5 | -58.3 | -54.1 | 0 | 0 | 0 | 116.5 | Q137 K141 K142 L143 | Q137-N139 PolarHBondContact O-N 3.03Å; N139-K141 VanDerWaalsContact C-N 3.25Å; N139-K141 PolarHBondContact O-N 3.25Å; N139-K141 VanDerWaalsContact O-N 3.14Å; N139-K142 HydrophobicContact CB-CB 4.16Å; N139-K142 WeakPolarHBondContact O-CA 3.47Å; N139-K142 WeakPolarHBondContact O-CB 3.46Å; N139-K142 PolarHBondContact O-N 3.34Å; N139-L143 PolarHBondContact O-N 3.45Å; N139-L143 VanDerWaalsContact O-N 3.1Å |
| 140 | A | 81.8 | Confident | 78.3 | Confident | 38 Ų | 38 | 120 Ų | 120 | 31% | 0.314 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -48.9 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q137 P138 K142 L143 R144 | Q137-A140 HydrophobicContact CB-CB 4.12Å; Q137-A140 WeakPolarHBondContact O-CB 3.38Å; Q137-A140 PolarHBondContact O-N 2.84Å; P138-A140 PolarHBondContact O-N 3.44Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 3.42Å; A140-L143 PolarHBondContact O-N 2.9Å; A140-R144 PolarHBondContact O-N 3.43Å |
| 141 | K | 81.9 | Confident | 79.3 | Confident | 174 Ų | 174 | 118.2 Ų | 118.2 | 76% | 0.757 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.3 | -37.8 | 176.8 | -70.4 | -175 | -179.9 | 179.4 | 0 | 112.4 | N139 R145 | N139-K141 VanDerWaalsContact C-N 3.25Å; N139-K141 PolarHBondContact O-N 3.25Å; N139-K141 VanDerWaalsContact O-N 3.14Å; K141-R145 WeakPolarHBondContact O-CG 3.49Å; K141-R145 PolarHBondContact O-N 3.46Å; K141-R145 VanDerWaalsContact O-N 3.12Å |
| 142 | K | 86.3 | Confident | 80.4 | Confident | 134 Ų | 134 | 119.2 Ų | 119.2 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.3 | -42.8 | 178 | -171 | -179.9 | 180 | 178.4 | 0 | 110.8 | N139 A140 R145 I146 | N139-K142 HydrophobicContact CB-CB 4.16Å; N139-K142 WeakPolarHBondContact O-CA 3.47Å; N139-K142 WeakPolarHBondContact O-CB 3.46Å; N139-K142 PolarHBondContact O-N 3.34Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 3.42Å; K142-R145 PolarHBondContact O-N 2.91Å; K142-I146 HydrophobicContact CG-CD1 4.09Å; K142-I146 VanDerWaalsContact O-CG1 3.27Å; K142-I146 WeakPolarHBondContact O-CG1 3.33Å; K142-I146 PolarHBondContact O-N 2.93Å |
| 143 | L | 87.3 | Confident | 81.5 | Confident | 93 Ų | 93 | 116.3 Ų | 116.3 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.2 | -43.3 | 176.9 | -66.1 | 176.6 | 0 | 0 | 0 | 111.7 | N139 A140 R145 I146 A147 | N139-L143 PolarHBondContact O-N 3.45Å; N139-L143 VanDerWaalsContact O-N 3.1Å; A140-L143 PolarHBondContact O-N 2.9Å; L143-R145 PolarHBondContact O-N 2.69Å; L143-I146 PolarHBondContact O-N 2.82Å; L143-A147 PolarHBondContact O-N 3.06Å |
| 144 | R | 87 | Confident | 82.7 | Confident | 188 Ų | 188 | 113.5 Ų | 113.5 | 71% | 0.709 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -58.3 | -46.5 | 173.2 | -79.3 | -178 | 133.3 | -178.1 | -3.9 | 112.5 | A140 I146 A147 Q148 | A140-R144 PolarHBondContact O-N 3.43Å; R144-I146 VanDerWaalsContact C-N 3.32Å; R144-I146 PolarHBondContact O-N 3.45Å; R144-A147 PolarHBondContact O-N 3.17Å; R144-Q148 WeakPolarHBondContact O-CB 3.25Å; R144-Q148 WeakPolarHBondContact O-CG 3.43Å; R144-Q148 PolarHBondContact O-N 2.93Å |
| 145 | R | 90.6 | Very high | 84.2 | Confident | 184 Ų | 184 | 114.5 Ų | 114.5 | 69% | 0.694 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.1 | -38.1 | 176.1 | -75.3 | 178.7 | -179.1 | 172.3 | -0.7 | 112.6 | K141 K142 L143 K149 | K141-R145 WeakPolarHBondContact O-CG 3.49Å; K141-R145 PolarHBondContact O-N 3.46Å; K141-R145 VanDerWaalsContact O-N 3.12Å; K142-R145 PolarHBondContact O-N 2.91Å; L143-R145 PolarHBondContact O-N 2.69Å; R145-K149 VanDerWaalsContact O-CB 3.28Å; R145-K149 WeakPolarHBondContact O-CB 3.36Å; R145-K149 PolarHBondContact O-N 2.96Å |
| 146 | I | 89.6 | Confident | 85.6 | Confident | 97 Ų | 97 | 113.7 Ų | 113.7 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.3 | -43.6 | 176.4 | -69.9 | 165.1 | 0 | 0 | 0 | 110.6 | K142 L143 R144 K149 A150 | K142-I146 HydrophobicContact CG-CD1 4.09Å; K142-I146 VanDerWaalsContact O-CG1 3.27Å; K142-I146 WeakPolarHBondContact O-CG1 3.33Å; K142-I146 PolarHBondContact O-N 2.93Å; L143-I146 PolarHBondContact O-N 2.82Å; R144-I146 VanDerWaalsContact C-N 3.32Å; R144-I146 PolarHBondContact O-N 3.45Å; I146-K149 PolarHBondContact O-N 2.99Å; I146-A150 WeakPolarHBondContact O-CB 3.49Å; I146-A150 PolarHBondContact O-N 2.91Å |
| 147 | A | 91 | Very high | 86.5 | Confident | 48 Ų | 48 | 110.2 Ų | 110.2 | 40% | 0.397 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.2 | -49.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L143 R144 K149 A150 E151 | L143-A147 PolarHBondContact O-N 3.06Å; R144-A147 PolarHBondContact O-N 3.17Å; A147-K149 VanDerWaalsContact C-N 3.32Å; A147-K149 PolarHBondContact O-N 2.74Å; A147-A150 WeakPolarHBondContact O-CA 3.37Å; A147-A150 WeakPolarHBondContact O-CB 3.29Å; A147-A150 PolarHBondContact O-N 2.77Å; A147-E151 WeakPolarHBondContact O-CG 3.4Å; A147-E151 PolarHBondContact O-N 3.19Å |
| 148 | Q | 93.5 | Very high | 87.6 | Confident | 106 Ų | 106 | 107.7 Ų | 107.7 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58 | -42.7 | 175.6 | -72.8 | 173.6 | -15 | 0 | 0 | 112.2 | R144 A150 E151 Q152 | R144-Q148 WeakPolarHBondContact O-CB 3.25Å; R144-Q148 WeakPolarHBondContact O-CG 3.43Å; R144-Q148 PolarHBondContact O-N 2.93Å; Q148-A150 VanDerWaalsContact C-N 3.33Å; Q148-A150 PolarHBondContact O-N 3.4Å; Q148-E151 PolarHBondContact O-N 2.95Å; Q148-Q152 WeakPolarHBondContact O-CB 3.38Å; Q148-Q152 VanDerWaalsContact O-CG 3.3Å; Q148-Q152 WeakPolarHBondContact O-CG 3.22Å; Q148-Q152 PolarHBondContact O-N 3.49Å |
| 149 | K | 91.9 | Very high | 88.1 | Confident | 138 Ų | 138 | 104.7 Ų | 104.7 | 60% | 0.6 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.9 | -37.6 | 176 | -173 | 172.9 | -177.8 | 172 | 0 | 111.8 | R145 I146 A147 L153 | R145-K149 VanDerWaalsContact O-CB 3.28Å; R145-K149 WeakPolarHBondContact O-CB 3.36Å; R145-K149 PolarHBondContact O-N 2.96Å; I146-K149 PolarHBondContact O-N 2.99Å; A147-K149 VanDerWaalsContact C-N 3.32Å; A147-K149 PolarHBondContact O-N 2.74Å; K149-L153 HydrophobicContact CG-CD1 4.34Å; K149-L153 WeakPolarHBondContact O-CB 3.28Å; K149-L153 VanDerWaalsContact O-CG 3.25Å; K149-L153 WeakPolarHBondContact O-CG 3.29Å; K149-L153 PolarHBondContact O-N 3.12Å |
| 150 | A | 89.5 | Confident | 88.5 | Confident | 57 Ų | 57 | 102.9 Ų | 102.9 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I146 A147 Q148 L153 A154 | I146-A150 WeakPolarHBondContact O-CB 3.49Å; I146-A150 PolarHBondContact O-N 2.91Å; A147-A150 WeakPolarHBondContact O-CA 3.37Å; A147-A150 WeakPolarHBondContact O-CB 3.29Å; A147-A150 PolarHBondContact O-N 2.77Å; Q148-A150 VanDerWaalsContact C-N 3.33Å; Q148-A150 PolarHBondContact O-N 3.4Å; A150-L153 PolarHBondContact O-N 2.77Å; A150-A154 WeakPolarHBondContact O-CB 3.45Å; A150-A154 PolarHBondContact O-N 3.05Å |
| 151 | E | 90.9 | Very high | 88.6 | Confident | 135 Ų | 135 | 110 Ų | 110 | 63% | 0.631 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.7 | -45.5 | 174.2 | -72.1 | 169.7 | -178 | 0 | 0 | 111.8 | A147 Q148 L153 A154 A155 | A147-E151 WeakPolarHBondContact O-CG 3.4Å; A147-E151 PolarHBondContact O-N 3.19Å; Q148-E151 PolarHBondContact O-N 2.95Å; E151-L153 PolarHBondContact O-N 3.02Å; E151-A154 WeakPolarHBondContact O-CB 3.48Å; E151-A154 PolarHBondContact O-N 2.9Å; E151-A155 WeakPolarHBondContact O-CB 3.27Å; E151-A155 PolarHBondContact O-N 3.31Å |
| 152 | Q | 92.5 | Very high | 88.6 | Confident | 120 Ų | 120 | 109.7 Ų | 109.7 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.6 | -41.4 | 175.5 | -73.5 | 176.6 | 5.5 | 0 | 0 | 112.5 | Q148 K156 | Q148-Q152 WeakPolarHBondContact O-CB 3.38Å; Q148-Q152 VanDerWaalsContact O-CG 3.3Å; Q148-Q152 WeakPolarHBondContact O-CG 3.22Å; Q148-Q152 PolarHBondContact O-N 3.49Å; Q152-K156 VanDerWaalsContact O-CG 3.31Å; Q152-K156 WeakPolarHBondContact O-CG 3.42Å; Q152-K156 PolarHBondContact O-N 3.33Å; Q152-K156 VanDerWaalsContact O-N 3.08Å |
| 153 | L | 90.3 | Very high | 88.5 | Confident | 69 Ų | 69 | 108.4 Ų | 108.4 | 36% | 0.361 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.9 | -37.3 | 175.7 | -72.6 | 175.1 | 0 | 0 | 0 | 111.7 | K149 A150 E151 K156 G157 V158 | K149-L153 HydrophobicContact CG-CD1 4.34Å; K149-L153 WeakPolarHBondContact O-CB 3.28Å; K149-L153 VanDerWaalsContact O-CG 3.25Å; K149-L153 WeakPolarHBondContact O-CG 3.29Å; K149-L153 PolarHBondContact O-N 3.12Å; A150-L153 PolarHBondContact O-N 2.77Å; E151-L153 PolarHBondContact O-N 3.02Å; L153-K156 CarbonylContact O-C 3.51Å; L153-K156 PolarHBondContact O-N 2.81Å; L153-G157 PolarHBondContact O-N 2.91Å; L153-V158 HydrophobicContact CB-CB 4.39Å; L153-V158 HydrophobicContact CD2-CB 4.16Å; L153-V158 HydrophobicContact CD2-CG1 4.33Å; L153-V158 PolarHBondContact O-N 3.31Å |
| 154 | A | 88.2 | Confident | 88.4 | Confident | 70 Ų | 70 | 109.1 Ų | 109.1 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.1 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A150 E151 K156 G157 | A150-A154 WeakPolarHBondContact O-CB 3.45Å; A150-A154 PolarHBondContact O-N 3.05Å; E151-A154 WeakPolarHBondContact O-CB 3.48Å; E151-A154 PolarHBondContact O-N 2.9Å; A154-K156 VanDerWaalsContact C-N 3.25Å; A154-K156 PolarHBondContact O-N 3.02Å; A154-G157 WeakPolarHBondContact O-CA 3.22Å; A154-G157 PolarHBondContact O-N 2.97Å |
| 155 | A | 91.1 | Very high | 88.3 | Confident | 91 Ų | 91 | 108 Ų | 108 | 75% | 0.752 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.7 | -34.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E151 G157 | E151-A155 WeakPolarHBondContact O-CB 3.27Å; E151-A155 PolarHBondContact O-N 3.31Å; A155-G157 PolarHBondContact O-N 2.9Å |
| 156 | K | 89.6 | Confident | 87.8 | Confident | 160 Ų | 160 | 104.3 Ų | 104.3 | 70% | 0.696 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2.9 | 172.6 | -68.4 | 176.1 | 179.6 | -175.9 | 0 | 113.9 | Q152 L153 A154 V158 | Q152-K156 VanDerWaalsContact O-CG 3.31Å; Q152-K156 WeakPolarHBondContact O-CG 3.42Å; Q152-K156 PolarHBondContact O-N 3.33Å; Q152-K156 VanDerWaalsContact O-N 3.08Å; L153-K156 CarbonylContact O-C 3.51Å; L153-K156 PolarHBondContact O-N 2.81Å; A154-K156 VanDerWaalsContact C-N 3.25Å; A154-K156 PolarHBondContact O-N 3.02Å; K156-V158 HydrophobicContact CB-CG2 4.16Å; K156-V158 PolarHBondContact O-N 3.48Å |
| 157 | G | 87.4 | Confident | 87.4 | Confident | 59 Ų | 59 | 106.1 Ų | 106.1 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69 | 11.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L153 A154 A155 V159 | L153-G157 PolarHBondContact O-N 2.91Å; A154-G157 WeakPolarHBondContact O-CA 3.22Å; A154-G157 PolarHBondContact O-N 2.97Å; A155-G157 PolarHBondContact O-N 2.9Å; G157-V159 PolarHBondContact O-N 3.49Å |
| 158 | V | 88.3 | Confident | 87 | Confident | 69 Ų | 69 | 110.3 Ų | 110.3 | 42% | 0.418 | 57% | 0.572 | S | S | . | * | trans | -85.2 | 95.5 | -178 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | L153 K156 | L153-V158 HydrophobicContact CB-CB 4.39Å; L153-V158 HydrophobicContact CD2-CB 4.16Å; L153-V158 HydrophobicContact CD2-CG1 4.33Å; L153-V158 PolarHBondContact O-N 3.31Å; K156-V158 HydrophobicContact CB-CG2 4.16Å; K156-V158 PolarHBondContact O-N 3.48Å | ||
| 159 | V | 84.2 | Confident | 86.4 | Confident | 49 Ų | 49 | 113.1 Ų | 113.1 | 30% | 0.297 | 58% | 0.578 | S | S | . | * | trans | -73.4 | 132.3 | 177.2 | -180 | 0 | 0 | 0 | 0 | 111.2 | G157 Q163 K164 | G157-V159 PolarHBondContact O-N 3.49Å; V159-Q163 HydrophobicContact CG1-CB 3.26Å; V159-Q163 HydrophobicContact CG1-CG 4.36Å; V159-K164 HydrophobicContact CB-CG 4Å; V159-K164 HydrophobicContact CG1-CG 3.98Å; V159-K164 VanDerWaalsContact O-CE 3.27Å; V159-K164 WeakPolarHBondContact O-CE 3.26Å | ||
| 160 | P | 85.6 | Confident | 85.7 | Confident | 81 Ų | 81 | 117.1 Ų | 117.1 | 53% | 0.526 | 59% | 0.589 | S | S | . | * | trans | -53.6 | 146.1 | 173.2 | -27.4 | 33.6 | 0 | 0 | 0 | 113.3 | K162 Q163 K164 | P160-K162 PolarHBondContact O-N 2.94Å; P160-Q163 PolarHBondContact O-N 2.96Å; P160-K164 PolarHBondContact O-N 3.03Å | ||
| 161 | R | 83.3 | Confident | 84.6 | Confident | 187 Ų | 187 | 119.8 Ų | 119.8 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -51.1 | -34.6 | -179.1 | -171.7 | 176.6 | -176.8 | 170.9 | 2.2 | 113.7 | R165 | R161-R165 WeakPolarHBondContact O-CB 3.29Å; R161-R165 WeakPolarHBondContact O-CG 3.46Å; R161-R165 PolarHBondContact O-N 3.39Å |
| 162 | K | 83.3 | Confident | 83.2 | Confident | 168 Ų | 168 | 118.3 Ų | 118.3 | 73% | 0.73 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66 | -43.9 | 177.8 | -169.7 | 178.8 | -179.6 | -177.3 | 0 | 112.1 | P160 R165 L166 | P160-K162 PolarHBondContact O-N 2.94Å; K162-R165 PolarHBondContact O-N 2.96Å; K162-L166 WeakPolarHBondContact O-CG 3.48Å; K162-L166 PolarHBondContact O-N 2.81Å; K162-L166 VanDerWaalsContact O-N 3.11Å |
| 163 | Q | 83.9 | Confident | 81.6 | Confident | 107 Ų | 107 | 118.6 Ų | 118.6 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.3 | -41 | 176.1 | -85.4 | 174.8 | -14.5 | 0 | 0 | 111.3 | V159 P160 R165 L166 L167 | V159-Q163 HydrophobicContact CG1-CB 3.26Å; V159-Q163 HydrophobicContact CG1-CG 4.36Å; P160-Q163 PolarHBondContact O-N 2.96Å; Q163-R165 VanDerWaalsContact C-N 3.27Å; Q163-R165 PolarHBondContact O-N 3.2Å; Q163-L166 WeakPolarHBondContact O-CB 3.37Å; Q163-L166 PolarHBondContact O-N 3.4Å; Q163-L167 WeakPolarHBondContact O-CG 3.35Å; Q163-L167 PolarHBondContact O-N 2.87Å |
| 164 | K | 84.6 | Confident | 80.1 | Confident | 108 Ų | 108 | 124.5 Ų | 124.5 | 47% | 0.47 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -55.7 | -41.8 | 171.7 | -70.5 | -172 | 175.2 | -175.7 | 0 | 112.1 | V159 P160 L166 L167 N168 | V159-K164 HydrophobicContact CB-CG 4Å; V159-K164 HydrophobicContact CG1-CG 3.98Å; V159-K164 VanDerWaalsContact O-CE 3.27Å; V159-K164 WeakPolarHBondContact O-CE 3.26Å; P160-K164 PolarHBondContact O-N 3.03Å; K164-L166 VanDerWaalsContact C-N 3.35Å; K164-L166 PolarHBondContact O-N 3.24Å; K164-L167 PolarHBondContact O-N 3.3Å; K164-N168 VanDerWaalsContact O-CB 3.31Å; K164-N168 WeakPolarHBondContact O-CB 3.4Å; K164-N168 PolarHBondContact O-N 3.42Å; K164-N168 PolarHBondContact O-ND2 3.45Å; K164-N168 PolarHBondContact O-OD1 3.04Å |
| 165 | R | 85 | Confident | 78.5 | Confident | 164 Ų | 164 | 127 Ų | 127 | 62% | 0.619 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.2 | -33.7 | 174.4 | -78.8 | 179.2 | 173.6 | -178.3 | -1 | 113.6 | R161 K162 Q163 R169 | R161-R165 WeakPolarHBondContact O-CB 3.29Å; R161-R165 WeakPolarHBondContact O-CG 3.46Å; R161-R165 PolarHBondContact O-N 3.39Å; K162-R165 PolarHBondContact O-N 2.96Å; Q163-R165 VanDerWaalsContact C-N 3.27Å; Q163-R165 PolarHBondContact O-N 3.2Å; R165-R169 WeakPolarHBondContact O-CB 3.44Å; R165-R169 PolarHBondContact O-N 3.17Å; R165-R169 VanDerWaalsContact O-N 3.1Å |
| 166 | L | 80.9 | Confident | 76.9 | Confident | 107 Ų | 107 | 128 Ų | 128 | 56% | 0.56 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.1 | -40 | 176.6 | -72.6 | 171.7 | 0 | 0 | 0 | 111.8 | K162 Q163 K164 R169 | K162-L166 WeakPolarHBondContact O-CG 3.48Å; K162-L166 PolarHBondContact O-N 2.81Å; K162-L166 VanDerWaalsContact O-N 3.11Å; Q163-L166 WeakPolarHBondContact O-CB 3.37Å; Q163-L166 PolarHBondContact O-N 3.4Å; K164-L166 VanDerWaalsContact C-N 3.35Å; K164-L166 PolarHBondContact O-N 3.24Å; L166-R169 WeakPolarHBondContact O-CB 3.44Å; L166-R169 PolarHBondContact O-N 3.15Å |
| 167 | L | 81.3 | Confident | 75.2 | Confident | 136 Ų | 136 | 129.7 Ų | 129.7 | 71% | 0.712 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.9 | -40.4 | 174.5 | -68.2 | 171.4 | 0 | 0 | 0 | 111.6 | Q163 K164 R169 | Q163-L167 WeakPolarHBondContact O-CG 3.35Å; Q163-L167 PolarHBondContact O-N 2.87Å; K164-L167 PolarHBondContact O-N 3.3Å; L167-R169 PolarHBondContact O-N 3.09Å |
| 168 | N | 82 | Confident | 73.7 | Confident | 135 Ų | 135 | 136.3 Ų | 136.3 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -77.5 | -8.6 | 177.5 | -65.6 | -4.7 | 0 | 0 | 0 | 113.4 | K164 R170 | K164-N168 VanDerWaalsContact O-CB 3.31Å; K164-N168 WeakPolarHBondContact O-CB 3.4Å; K164-N168 PolarHBondContact O-N 3.42Å; K164-N168 PolarHBondContact O-ND2 3.45Å; K164-N168 PolarHBondContact O-OD1 3.04Å; N168-R170 PolarHBondContact O-N 3.29Å |
| 169 | R | 80 | Confident | 72.3 | Confident | 166 Ų | 166 | 137.2 Ų | 137.2 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -74.5 | 112.8 | 175 | 177.7 | 179.6 | 159.5 | 168.9 | -3.2 | 106.9 | R165 L166 L167 | R165-R169 WeakPolarHBondContact O-CB 3.44Å; R165-R169 PolarHBondContact O-N 3.17Å; R165-R169 VanDerWaalsContact O-N 3.1Å; L166-R169 WeakPolarHBondContact O-CB 3.44Å; L166-R169 PolarHBondContact O-N 3.15Å; L167-R169 PolarHBondContact O-N 3.09Å |
| 170 | R | 77.3 | Confident | 71.1 | Confident | 221 Ų | 221 | 141.4 Ų | 141.4 | 83% | 0.834 | 70% | 0.695 | S | S | * | * | trans | -49.4 | 128.5 | 171.1 | -67.3 | -178.5 | 178.3 | 174.9 | -1.7 | 108.8 | N168 V172 | N168-R170 PolarHBondContact O-N 3.29Å; R170-V172 PolarHBondContact O-N 3.21Å | ||
| 171 | P | 66.6 | Low | 69.6 | Low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | trans | -56.4 | 119.6 | 171.3 | 23.8 | -30.6 | 0 | 0 | 0 | 106.6 | D173 | P171-D173 PolarHBondContact O-N 2.96Š| ||
| 172 | V | 61.9 | Low | 68.6 | Low | 104 Ų | 104 | 140.4 Ų | 140.4 | 63% | 0.63 | 70% | 0.699 | S | S | * | * | trans | -73.4 | 112.5 | 167.6 | 175.5 | 0 | 0 | 0 | 0 | 104 | R170 K174 | R170-V172 PolarHBondContact O-N 3.21Å; V172-K174 PolarHBondContact O-N 2.99Å | ||
| 173 | D | 58.6 | Low | 67.7 | Low | 126 Ų | 126 | 135.9 Ų | 135.9 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | trans | -54.3 | 104.7 | 171.3 | -70.6 | -32.8 | 0 | 0 | 0 | 107.7 | P171 T175 | P171-D173 PolarHBondContact O-N 2.96Å; D173-T175 HydrophobicContact CB-CG2 3.94Å; D173-T175 PolarHBondContact O-N 3.49Å | ||
| 174 | K | 60.2 | Low | 66.6 | Low | 194 Ų | 194 | 136.4 Ų | 136.4 | 84% | 0.843 | 70% | 0.699 | S | S | * | * | trans | -76.8 | 65.4 | 170.5 | -71.7 | -179.6 | -179.5 | 176.1 | 0 | 107.3 | V172 V176 | V172-K174 PolarHBondContact O-N 2.99Å; K174-V176 PolarHBondContact O-N 3.1Å | ||
| 175 | T | 53.8 | Low | 65.7 | Low | 121 Ų | 121 | 138.6 Ų | 138.6 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | trans | -78.2 | 16.4 | 172.1 | 47.7 | 0 | 0 | 0 | 0 | 112.1 | D173 K177 | D173-T175 HydrophobicContact CB-CG2 3.94Å; D173-T175 PolarHBondContact O-N 3.49Å; T175-K177 PolarHBondContact O-N 3.35Å | ||
| 176 | V | 56.3 | Low | 65 | Low | 114 Ų | 114 | 133.6 Ų | 133.6 | 69% | 0.691 | 70% | 0.701 | S | S | * | * | trans | -84.8 | 96.5 | 167.1 | -171 | 0 | 0 | 0 | 0 | 106.6 | K174 K178 | K174-V176 PolarHBondContact O-N 3.1Å; V176-K178 PolarHBondContact O-N 3.25Å; V176-K178 VanDerWaalsContact O-N 3.1Å | ||
| 177 | K | 55.9 | Low | 64.4 | Low | 194 Ų | 194 | 133.9 Ų | 133.9 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | trans | -47.7 | 119.8 | 163.9 | -65.4 | -178.2 | -179 | -179.9 | 0 | 106.6 | T175 A179 | T175-K177 PolarHBondContact O-N 3.35Å; K177-A179 PolarHBondContact O-N 2.91Å | ||
| 178 | K | 54.2 | Low | 64 | Low | 198 Ų | 198 | 134 Ų | 134 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | -57.7 | 115.5 | 167.9 | -74.7 | 179.9 | 177.2 | -179.7 | 0 | 105.2 | V176 V180 | V176-K178 PolarHBondContact O-N 3.25Å; V176-K178 VanDerWaalsContact O-N 3.1Å; K178-V180 PolarHBondContact O-N 2.68Å | ||
| 179 | A | 59.4 | Low | 63.3 | Low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | trans | -52.6 | 126.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | K177 T181 | K177-A179 PolarHBondContact O-N 2.91Å; A179-T181 PolarHBondContact O-N 3.12Å | ||
| 180 | V | 59.3 | Low | 62.8 | Low | 137 Ų | 137 | 132.6 Ų | 132.6 | 83% | 0.83 | 71% | 0.707 | S | S | * | * | trans | -60.6 | 122 | 173.1 | 178.1 | 0 | 0 | 0 | 0 | 105.5 | K178 E182 | K178-V180 PolarHBondContact O-N 2.68Å; V180-E182 PolarHBondContact O-N 2.73Å | ||
| 181 | T | 54.6 | Low | 62.4 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 69% | 0.693 | 71% | 0.709 | S | S | * | * | trans | -68.2 | 114.9 | 179.5 | 46.4 | 0 | 0 | 0 | 0 | 108.6 | A179 | A179-T181 PolarHBondContact O-N 3.12Š| ||
| 182 | E | 62.3 | Low | 62.3 | Low | 133 Ų | 133 | 135.9 Ų | 135.9 | 62% | 0.621 | 71% | 0.708 | S | S | * | * | trans | -66.2 | 137.5 | 164.3 | -66.4 | 178.7 | -162.2 | 0 | 0 | 108.8 | V180 N186 | V180-E182 PolarHBondContact O-N 2.73Å; E182-N186 PolarHBondContact OE2-ND2 3.03Å | ||
| 183 | A | 63.3 | Low | 62.9 | Low | 74 Ų | 74 | 135.9 Ų | 135.9 | 61% | 0.612 | 70% | 0.704 | S | S | * | * | trans | -63.9 | 146 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | N185 N186 | A183-N185 PolarHBondContact O-N 3.29Å; A183-N186 PolarHBondContact O-N 3.5Å | ||
| 184 | N | 60.2 | Low | 63.3 | Low | 117 Ų | 117 | 135.8 Ų | 135.8 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -7.9 | -178.6 | -87.1 | -25.3 | 0 | 0 | 0 | 114.7 | R189 | N184-R189 PolarHBondContact OD1-NH1 3.46Š|
| 185 | N | 66.7 | Low | 64.1 | Low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 22.1 | -177.6 | -59.3 | -11.2 | 0 | 0 | 0 | 112.8 | A183 P187 | A183-N185 PolarHBondContact O-N 3.29Å; N185-P187 WeakPolarHBondContact O-CD 3.32Å |
| 186 | N | 69.4 | Low | 65 | Low | 59 Ų | 59 | 132.9 Ų | 132.9 | 32% | 0.316 | 69% | 0.685 | S | S | . | * | trans | -78.4 | 119.2 | 177 | -157.2 | 14.8 | 0 | 0 | 0 | 109.9 | E182 A183 D188 R189 | E182-N186 PolarHBondContact OE2-ND2 3.03Å; A183-N186 PolarHBondContact O-N 3.5Å; N186-D188 VanDerWaalsContact C-N 3.26Å; N186-D188 PolarHBondContact O-N 3.18Å; N186-R189 WeakPolarHBondContact O-CB 3.5Å; N186-R189 PolarHBondContact O-N 3.28Å | ||
| 187 | P | 70.1 | Confident | 65.4 | Low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -19.3 | -178.9 | 28.4 | -35.7 | 0 | 0 | 0 | 113.7 | N185 R189 | N185-P187 WeakPolarHBondContact O-CD 3.32Å; P187-R189 PolarHBondContact O-N 3.3Å |
| 188 | D | 72.6 | Confident | 65.9 | Low | 140 Ų | 140 | 135.6 Ų | 135.6 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 7.4 | 178.4 | -60.6 | -28.4 | 0 | 0 | 0 | 113.2 | N186 | N186-D188 VanDerWaalsContact C-N 3.26Å; N186-D188 PolarHBondContact O-N 3.18Å |
| 189 | R | 66.1 | Low | 66.2 | Low | 119 Ų | 119 | 131.6 Ų | 131.6 | 45% | 0.449 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -82.8 | 123.8 | -179 | -175 | 177 | 179.2 | 172.2 | 1.3 | 110.4 | N184 N186 P187 Y191 | N184-R189 PolarHBondContact OD1-NH1 3.46Å; N186-R189 WeakPolarHBondContact O-CB 3.5Å; N186-R189 PolarHBondContact O-N 3.28Å; P187-R189 PolarHBondContact O-N 3.3Å; R189-Y191 PolarHBondContact O-N 3.18Å |
| 190 | D | 70.8 | Confident | 66 | Low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 130.2 | 173 | -67.6 | -30.1 | 0 | 0 | 0 | 111.3 | Y192 | D190-Y192 PolarHBondContact O-N 2.73Š|
| 191 | Y | 68.1 | Low | 65.7 | Low | 225 Ų | 225 | 134.9 Ų | 134.9 | 88% | 0.882 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 129.4 | 178.1 | -79.2 | -92.4 | 0 | 0 | 0 | 110.1 | R189 D193 | R189-Y191 PolarHBondContact O-N 3.18Å; Y191-D193 PolarHBondContact O-N 3.12Å; Y191-D193 VanDerWaalsContact O-N 3.11Å |
| 192 | Y | 64.4 | Low | 65.7 | Low | 179 Ų | 179 | 135.1 Ų | 135.1 | 70% | 0.702 | 69% | 0.688 | S | S | * | * | trans | -69.9 | 106.3 | 174.7 | -178.2 | -104 | 0 | 0 | 0 | 109.6 | D190 I194 | D190-Y192 PolarHBondContact O-N 2.73Å; Y192-I194 HydrophobicContact CD1-CG2 3.84Å; Y192-I194 HydrophobicContact CE1-CG2 3.96Å; Y192-I194 PolarHBondContact O-N 3.08Å; Y192-I194 VanDerWaalsContact O-N 3.1Å | ||
| 193 | D | 75.1 | Confident | 65.4 | Low | 103 Ų | 103 | 130.6 Ų | 130.6 | 55% | 0.551 | 67% | 0.674 | S | S | * | * | trans | -72.8 | 100.8 | 175.9 | -175.5 | 9.2 | 0 | 0 | 0 | 110.4 | Y191 W195 G196 | Y191-D193 PolarHBondContact O-N 3.12Å; Y191-D193 VanDerWaalsContact O-N 3.11Å; D193-W195 PolarHBondContact O-N 3.16Å; D193-W195 PolarHBondContact OD1-N 2.88Å; D193-G196 PolarHBondContact O-N 3.17Å; D193-G196 PolarHBondContact OD1-N 2.94Å; D193-G196 PolarHBondContact OD2-N 3.29Å | ||
| 194 | I | 67.1 | Low | 65.4 | Low | 124 Ų | 124 | 131.1 Ų | 131.1 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -14.7 | 176.8 | 42.8 | 163.5 | 0 | 0 | 0 | 113.7 | Y192 | Y192-I194 HydrophobicContact CD1-CG2 3.84Å; Y192-I194 HydrophobicContact CE1-CG2 3.96Å; Y192-I194 PolarHBondContact O-N 3.08Å; Y192-I194 VanDerWaalsContact O-N 3.1Å |
| 195 | W | 76.3 | Confident | 65.8 | Low | 217 Ų | 217 | 130.3 Ų | 130.3 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -1.3 | -179.1 | -55.8 | 104.4 | 0 | 0 | 0 | 113.7 | D193 | D193-W195 PolarHBondContact O-N 3.16Å; D193-W195 PolarHBondContact OD1-N 2.88Å |
| 196 | G | 72.6 | Confident | 65.9 | Low | 38 Ų | 38 | 130.4 Ų | 130.4 | 39% | 0.392 | 66% | 0.657 | S | S | . | * | trans | -68.3 | 133.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D193 E198 | D193-G196 PolarHBondContact O-N 3.17Å; D193-G196 PolarHBondContact OD1-N 2.94Å; D193-G196 PolarHBondContact OD2-N 3.29Å; G196-E198 PolarHBondContact O-N 2.96Å; G196-E198 VanDerWaalsContact O-N 3.15Å | ||
| 197 | Q | 64.8 | Low | 66 | Low | 200 Ų | 200 | 132.1 Ų | 132.1 | 94% | 0.935 | 66% | 0.659 | S | S | * | * | trans | -82.6 | 32.8 | 175.1 | -64 | -173.9 | 1.2 | 0 | 0 | 112.8 | ||||
| 198 | E | 67.5 | Low | 66.2 | Low | 165 Ų | 165 | 129.5 Ų | 129.5 | 77% | 0.771 | 64% | 0.639 | S | S | * | * | trans | -73 | 141.1 | 176.7 | -66.8 | -152.1 | 161.4 | 0 | 0 | 110.9 | G196 K200 | G196-E198 PolarHBondContact O-N 2.96Å; G196-E198 VanDerWaalsContact O-N 3.15Å; E198-K200 PolarHBondContact O-N 3.1Å | ||
| 199 | P | 59.3 | Low | 66 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 73% | 0.734 | 62% | 0.623 | S | S | * | * | trans | -61.1 | 110.6 | 177.9 | 25.5 | -32.9 | 0 | 0 | 0 | 108.6 | V201 | P199-V201 PolarHBondContact O-N 2.8Š| ||
| 200 | K | 55.3 | Low | 66.5 | Low | 186 Ų | 186 | 127.7 Ų | 127.7 | 81% | 0.809 | 63% | 0.631 | S | S | * | * | trans | -50.8 | 101.1 | 175.2 | -65.6 | 178.6 | -178.2 | 179.8 | 0 | 109.1 | E198 S202 | E198-K200 PolarHBondContact O-N 3.1Å; K200-S202 PolarHBondContact O-N 3.35Å | ||
| 201 | V | 53.6 | Low | 66.8 | Low | 110 Ų | 110 | 123.2 Ų | 123.2 | 67% | 0.667 | 61% | 0.609 | S | S | * | * | trans | -58.4 | 124.5 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 106.4 | P199 A203 D204 | P199-V201 PolarHBondContact O-N 2.8Å; V201-A203 CarbonylContact O-C 3.27Å; V201-A203 VanDerWaalsContact O-C 3.27Å; V201-A203 PolarHBondContact O-N 2.98Å; V201-D204 PolarHBondContact O-N 3.36Å | ||
| 202 | S | 54.6 | Low | 67.1 | Low | 117 Ų | 117 | 115.6 Ų | 115.6 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -60.7 | 3.2 | -170.6 | 62.8 | 0 | 0 | 0 | 0 | 115.8 | K200 | K200-S202 PolarHBondContact O-N 3.35Š|
| 203 | A | 56.4 | Low | 67.6 | Low | 39 Ų | 39 | 114.2 Ų | 114.2 | 32% | 0.322 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -122.5 | 90.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | V201 P205 L208 | V201-A203 CarbonylContact O-C 3.27Å; V201-A203 VanDerWaalsContact O-C 3.27Å; V201-A203 PolarHBondContact O-N 2.98Å; A203-P205 WeakPolarHBondContact O-CD 3.46Å; A203-L208 HydrophobicContact CB-CD1 4.35Å |
| 204 | D | 61.5 | Low | 67.6 | Low | 84 Ų | 84 | 116.7 Ų | 116.7 | 45% | 0.449 | 60% | 0.602 | S | S | . | * | trans | -45.8 | 114.5 | 164.9 | -95.6 | -24.7 | 0 | 0 | 0 | 106.8 | V201 W206 Y207 L208 | V201-D204 PolarHBondContact O-N 3.36Å; D204-W206 PolarHBondContact O-N 2.91Å; D204-Y207 PolarHBondContact O-N 2.87Å; D204-L208 PolarHBondContact O-N 3.17Å | ||
| 205 | P | 69.8 | Low | 67.9 | Low | 101 Ų | 101 | 116.1 Ų | 116.1 | 66% | 0.656 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -53 | -32.9 | 177.1 | -26.7 | 35.9 | 0 | 0 | 0 | 110 | A203 L208 Q209 | A203-P205 WeakPolarHBondContact O-CD 3.46Å; P205-L208 PolarHBondContact O-N 2.88Å; P205-Q209 WeakPolarHBondContact O-CB 3.49Å; P205-Q209 PolarHBondContact O-N 3.05Å |
| 206 | W | 67.9 | Low | 68.2 | Low | 156 Ų | 156 | 112.5 Ų | 112.5 | 59% | 0.591 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.4 | -45.6 | 174.8 | -166.7 | 86.2 | 0 | 0 | 0 | 114.5 | D204 L208 Q209 Q210 | D204-W206 PolarHBondContact O-N 2.91Å; W206-L208 VanDerWaalsContact C-N 3.3Å; W206-L208 PolarHBondContact O-N 3.42Å; W206-Q209 PolarHBondContact O-N 2.83Å; W206-Q210 WeakPolarHBondContact O-CB 3.39Å; W206-Q210 PolarHBondContact O-N 3.47Å |
| 207 | Y | 72.4 | Confident | 68.7 | Low | 95 Ų | 95 | 120 Ų | 120 | 37% | 0.373 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.6 | -41.3 | 175.9 | 175.7 | -97.2 | 0 | 0 | 0 | 111.2 | D204 T211 K213 L215 | D204-Y207 PolarHBondContact O-N 2.87Å; Y207-T211 HydrophobicContact CD2-CG2 3.94Å; Y207-T211 HydrophobicContact CE2-CG2 3.73Å; Y207-T211 WeakPolarHBondContact O-CB 3.29Å; Y207-T211 WeakPolarHBondContact O-CG2 3.24Å; Y207-T211 PolarHBondContact O-N 3.45Å; Y207-T211 PolarHBondContact O-OG1 3.47Å; Y207-K213 WeakPolarHBondContact CE1-O 3.29Å; Y207-L215 HydrophobicContact CD1-CD1 3.97Å; Y207-L215 HydrophobicContact CE1-CD1 3.86Å; Y207-L215 HydrophobicContact CE1-CG 4.15Å |
| 208 | L | 73.3 | Confident | 69.8 | Low | 58 Ų | 58 | 117.9 Ų | 117.9 | 30% | 0.304 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.1 | -35.9 | 179 | -154.2 | 155 | 0 | 0 | 0 | 111.2 | A203 D204 P205 W206 G212 K214 | A203-L208 HydrophobicContact CB-CD1 4.35Å; D204-L208 PolarHBondContact O-N 3.17Å; P205-L208 PolarHBondContact O-N 2.88Å; W206-L208 VanDerWaalsContact C-N 3.3Å; W206-L208 PolarHBondContact O-N 3.42Å; L208-G212 WeakPolarHBondContact O-CA 3.49Å; L208-G212 PolarHBondContact O-N 2.79Å; L208-K214 HydrophobicContact CD1-CD 4.13Å; L208-K214 HydrophobicContact CD1-CG 3.68Å; L208-K214 HydrophobicContact CG-CG 4.13Å |
| 209 | Q | 69.9 | Low | 71 | Confident | 90 Ų | 90 | 113.9 Ų | 113.9 | 42% | 0.421 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.5 | -43.3 | 174.6 | -174.8 | 177.8 | 18.4 | 0 | 0 | 111.8 | P205 W206 | P205-Q209 WeakPolarHBondContact O-CB 3.49Å; P205-Q209 PolarHBondContact O-N 3.05Å; W206-Q209 PolarHBondContact O-N 2.83Å |
| 210 | Q | 76.4 | Confident | 72.5 | Confident | 131 Ų | 131 | 116.3 Ų | 116.3 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -82.8 | -40.2 | -176 | -161.2 | -177.1 | 23.3 | 0 | 0 | 113 | W206 | W206-Q210 WeakPolarHBondContact O-CB 3.39Å; W206-Q210 PolarHBondContact O-N 3.47Å |
| 211 | T | 75.5 | Confident | 74.1 | Confident | 57 Ų | 57 | 115.7 Ų | 115.7 | 35% | 0.35 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -94.8 | -16.2 | -176.2 | 70 | 0 | 0 | 0 | 0 | 113.6 | Y207 K213 | Y207-T211 HydrophobicContact CD2-CG2 3.94Å; Y207-T211 HydrophobicContact CE2-CG2 3.73Å; Y207-T211 WeakPolarHBondContact O-CB 3.29Å; Y207-T211 WeakPolarHBondContact O-CG2 3.24Å; Y207-T211 PolarHBondContact O-N 3.45Å; Y207-T211 PolarHBondContact O-OG1 3.47Å; T211-K213 PolarHBondContact O-N 3.33Å; T211-K213 VanDerWaalsContact O-N 3.15Å; T211-K213 PolarHBondContact OG1-N 3.38Å |
| 212 | G | 74.7 | Confident | 75.8 | Confident | 64 Ų | 64 | 115.2 Ų | 115.2 | 66% | 0.66 | 59% | 0.587 | S | S | * | * | trans | 65.5 | 8.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L208 | L208-G212 WeakPolarHBondContact O-CA 3.49Å; L208-G212 PolarHBondContact O-N 2.79Å | ||
| 213 | K | 75.4 | Confident | 77.4 | Confident | 150 Ų | 150 | 114.7 Ų | 114.7 | 65% | 0.652 | 58% | 0.575 | S | S | * | * | trans | -122.2 | 128.5 | -171.5 | -68.6 | 173.3 | -173.4 | 173.7 | 0 | 110.4 | Y207 T211 | Y207-K213 WeakPolarHBondContact CE1-O 3.29Å; T211-K213 PolarHBondContact O-N 3.33Å; T211-K213 VanDerWaalsContact O-N 3.15Å; T211-K213 PolarHBondContact OG1-N 3.38Å | ||
| 214 | K | 75.6 | Confident | 79 | Confident | 155 Ų | 155 | 119.5 Ų | 119.5 | 67% | 0.674 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -77 | 141 | 168.7 | -55.5 | -160.4 | 177.2 | -173.1 | 0 | 109 | L208 V216 | L208-K214 HydrophobicContact CD1-CD 4.13Å; L208-K214 HydrophobicContact CD1-CG 3.68Å; L208-K214 HydrophobicContact CG-CG 4.13Å; K214-V216 PolarHBondContact O-N 3.21Å |
| 215 | L | 73.6 | Confident | 80.3 | Confident | 113 Ų | 113 | 124.2 Ų | 124.2 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -57 | 130.1 | 166.2 | -77.8 | 114.3 | 0 | 0 | 0 | 109.1 | Y207 K217 | Y207-L215 HydrophobicContact CD1-CD1 3.97Å; Y207-L215 HydrophobicContact CE1-CD1 3.86Å; Y207-L215 HydrophobicContact CE1-CG 4.15Å; L215-K217 PolarHBondContact O-N 2.91Å |
| 216 | V | 82.1 | Confident | 81.2 | Confident | 140 Ų | 140 | 122.6 Ų | 122.6 | 85% | 0.848 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 124.7 | 179.9 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | K214 R218 | K214-V216 PolarHBondContact O-N 3.21Å; V216-R218 PolarHBondContact O-N 3.33Å |
| 217 | K | 83.6 | Confident | 82.2 | Confident | 197 Ų | 197 | 115.7 Ų | 115.7 | 86% | 0.857 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 127.2 | 174.5 | -68.8 | -172.1 | 176.3 | -172.5 | 0 | 109.6 | L215 | L215-K217 PolarHBondContact O-N 2.91Š|
| 218 | R | 87.2 | Confident | 83.1 | Confident | 155 Ų | 155 | 116.4 Ų | 116.4 | 59% | 0.585 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 134 | 175.5 | -174.5 | 173.7 | 170.8 | 140 | -13.3 | 109.1 | V216 L222 N223 | V216-R218 PolarHBondContact O-N 3.33Å; R218-L222 HydrophobicContact CG-CB 4.04Å; R218-L222 PolarHBondContact NE-O 3.49Å; R218-L222 PolarHBondContact NH2-O 2.78Å; R218-N223 WeakPolarHBondContact CD-OD1 3.3Å; R218-N223 PolarHBondContact NE-OD1 2.94Å |
| 219 | P | 92.6 | Very high | 83.9 | Confident | 81 Ų | 81 | 115.1 Ų | 115.1 | 53% | 0.526 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 141.7 | 177.7 | 23.6 | -31 | 0 | 0 | 0 | 110.9 | K221 L222 | P219-K221 VanDerWaalsContact C-N 3.26Å; P219-K221 PolarHBondContact O-N 2.75Å; P219-L222 HydrophobicContact CG-CB 4.29Å; P219-L222 HydrophobicContact CG-CD1 4.24Å; P219-L222 WeakPolarHBondContact O-CB 3.27Å; P219-L222 PolarHBondContact O-N 3.43Å |
| 220 | E | 90.8 | Very high | 85 | Confident | 163 Ų | 163 | 114.4 Ų | 114.4 | 76% | 0.762 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -55.8 | -38.6 | -174.7 | -66.9 | 173.7 | 177.3 | 0 | 0 | 113 | L222 N223 | E220-L222 PolarHBondContact O-N 3.35Å; E220-N223 WeakPolarHBondContact O-CB 3.31Å; E220-N223 PolarHBondContact O-N 2.64Å |
| 221 | K | 89.8 | Confident | 85.7 | Confident | 173 Ų | 173 | 110.7 Ų | 110.7 | 75% | 0.752 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -57.4 | -24.7 | 177.3 | -66.1 | -173.1 | 176.2 | -174.9 | 0 | 114.3 | P219 N223 | P219-K221 VanDerWaalsContact C-N 3.26Å; P219-K221 PolarHBondContact O-N 2.75Å; K221-N223 VanDerWaalsContact C-N 3.27Å |
| 222 | L | 88.2 | Confident | 86.4 | Confident | 100 Ų | 100 | 111.3 Ų | 111.3 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -84.8 | -5.4 | -179.9 | -132.3 | 154.9 | 0 | 0 | 0 | 112.2 | R218 P219 E220 | R218-L222 HydrophobicContact CG-CB 4.04Å; R218-L222 PolarHBondContact NE-O 3.49Å; R218-L222 PolarHBondContact NH2-O 2.78Å; P219-L222 HydrophobicContact CG-CB 4.29Å; P219-L222 HydrophobicContact CG-CD1 4.24Å; P219-L222 WeakPolarHBondContact O-CB 3.27Å; P219-L222 PolarHBondContact O-N 3.43Å; E220-L222 PolarHBondContact O-N 3.35Å |
| 223 | N | 88.9 | Confident | 87 | Confident | 106 Ų | 106 | 111.6 Ų | 111.6 | 57% | 0.567 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -19.6 | 172.1 | -59.3 | -18.9 | 0 | 0 | 0 | 111.6 | R218 E220 K221 K225 | R218-N223 WeakPolarHBondContact CD-OD1 3.3Å; R218-N223 PolarHBondContact NE-OD1 2.94Å; E220-N223 WeakPolarHBondContact O-CB 3.31Å; E220-N223 PolarHBondContact O-N 2.64Å; K221-N223 VanDerWaalsContact C-N 3.27Å; N223-K225 PolarHBondContact O-N 2.79Å |
| 224 | E | 89.8 | Confident | 87.7 | Confident | 140 Ų | 140 | 111.1 Ų | 111.1 | 65% | 0.654 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -67.1 | 127.1 | 175.2 | -66 | 175.7 | -163.9 | 0 | 0 | 110.8 | ||
| 225 | K | 89.5 | Confident | 88.4 | Confident | 184 Ų | 184 | 107.7 Ų | 107.7 | 80% | 0.8 | 56% | 0.56 | S | S | * | * | trans | -73.9 | 140.2 | 173.9 | -66.3 | -180 | -177.5 | 174.8 | 0 | 109.8 | N223 S227 | N223-K225 PolarHBondContact O-N 2.79Å; K225-S227 VanDerWaalsContact C-N 3.27Å; K225-S227 PolarHBondContact O-N 2.72Å | ||
| 226 | P | 89.1 | Confident | 89.3 | Confident | 66 Ų | 66 | 104.4 Ų | 104.4 | 43% | 0.429 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -71 | -20.4 | -176.4 | 28.8 | -36.3 | 0 | 0 | 0 | 114.1 | N440 L441 | P226-N440 HydrophobicContact CB-CB 4.31Å; P226-L441 HydrophobicContact CG-CD1 3.72Å; P226-L441 HydrophobicContact CG-CG 4.5Å |
| 227 | S | 88.6 | Confident | 89.9 | Confident | 11 Ų | 11 | 102.2 Ų | 102.2 | 8% | 0.077 | 54% | 0.537 | C | S | . | . | trans | -143 | 158 | 178.3 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | K225 R439 | K225-S227 VanDerWaalsContact C-N 3.27Å; K225-S227 PolarHBondContact O-N 2.72Å; S227-R439 WeakPolarHBondContact CB-O 3.44Å; S227-R439 VanDerWaalsContact OG-C 3.31Å; S227-R439 WeakPolarHBondContact OG-CA 3.38Å; S227-R439 WeakPolarHBondContact OG-CB 3.48Å; S227-R439 PolarHBondContact OG-O 3.24Å | ||
| 228 | V | 91.1 | Very high | 90.3 | Very high | 110 Ų | 110 | 93 Ų | 93 | 67% | 0.667 | 50% | 0.498 | S | S | * | . | trans | -91 | -13.6 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | K391 | V228-K391 HydrophobicContact CG2-CB 4.06Å; V228-K391 HydrophobicContact CG2-CD 4.47Å | ||
| 229 | L | 90.5 | Very high | 90.5 | Very high | 31 Ų | 31 | 87.1 Ų | 87.1 | 16% | 0.162 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -60.3 | 144.2 | -177.1 | -66.5 | 175.5 | 0 | 0 | 0 | 112.4 | V392 K438 R439 | L229-V392 WeakPolarHBondContact CD1-O 3.27Å; L229-V392 HydrophobicContact CD2-CG1 3.82Å; L229-K438 HydrophobicContact CD1-CD 3.98Å; L229-K438 HydrophobicContact CD1-CG 3.68Å; L229-R439 HydrophobicContact CB-CG 4.05Å |
| 230 | P | 92 | Very high | 90.4 | Very high | 76 Ų | 76 | 85.8 Ų | 85.8 | 49% | 0.494 | 48% | 0.479 | S | S | . | . | trans | -63.5 | 156 | 174.8 | 29.5 | -35.2 | 0 | 0 | 0 | 110.9 | V232 E233 R439 | P230-V232 PolarHBondContact O-N 2.82Å; P230-E233 HydrophobicContact CG-CG 4.42Å; P230-R439 WeakPolarHBondContact O-CD 3.01Å | ||
| 231 | A | 90.3 | Very high | 90.4 | Very high | 52 Ų | 52 | 80.4 Ų | 80.4 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -67 | -29.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S435 | A231-S435 PolarHBondContact O-OG 3.4Š|
| 232 | V | 90.1 | Very high | 90.5 | Very high | 70 Ų | 70 | 78.4 Ų | 78.4 | 42% | 0.424 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -125.8 | 119.9 | -178.5 | -176.4 | 0 | 0 | 0 | 0 | 107 | P230 | P230-V232 PolarHBondContact O-N 2.82Š|
| 233 | E | 87.8 | Confident | 90.8 | Very high | 71 Ų | 71 | 74.5 Ų | 74.5 | 33% | 0.332 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 128.8 | 172.7 | -63 | -175.1 | 167.7 | 0 | 0 | 107.6 | P230 K438 | P230-E233 HydrophobicContact CG-CG 4.42Å; E233-K438 VanDerWaalsContact OE1-CD 3.26Å; E233-K438 WeakPolarHBondContact OE1-CD 3.34Å; E233-K438 WeakPolarHBondContact OE1-CE 3.27Å; E233-K438 IonicContact OE1-NZ 3.86Å; E233-K438 PolarHBondContact OE1-NZ 3.13Å; E233-K438 IonicContact OE2-NZ 2.64Å; E233-K438 PolarHBondContact OE2-NZ 2.77Å |
| 234 | V | 90.3 | Very high | 91.1 | Very high | 139 Ų | 139 | 74.2 Ų | 74.2 | 84% | 0.842 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -88.4 | 129.7 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 106.7 | ||
| 235 | I | 90.3 | Very high | 91.3 | Very high | 84 Ų | 84 | 74 Ų | 74 | 43% | 0.431 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 158.6 | 177.5 | -144.2 | 164.1 | 0 | 0 | 0 | 110 | ||
| 236 | A | 93 | Very high | 91.7 | Very high | 43 Ų | 43 | 72.1 Ų | 72.1 | 36% | 0.355 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 154.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G238 G239 L251 | A236-G238 PolarHBondContact O-N 2.95Å; A236-G239 PolarHBondContact O-N 3.11Å; A236-L251 HydrophobicContact CB-CD1 3.53Å |
| 237 | P | 93.7 | Very high | 92 | Very high | 95 Ų | 95 | 70.3 Ų | 70.3 | 62% | 0.617 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -58.5 | -24.2 | -173.1 | 22.2 | -33.9 | 0 | 0 | 0 | 114.2 | G239 S240 | P237-G239 PolarHBondContact O-N 2.9Å; P237-S240 VanDerWaalsContact O-CB 3.27Å; P237-S240 WeakPolarHBondContact O-CB 3.5Å; P237-S240 PolarHBondContact O-N 3.44Å; P237-S240 PolarHBondContact O-OG 2.97Å |
| 238 | G | 93.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 70.2 Ų | 70.2 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -61.8 | -18.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A236 S240 S247 | A236-G238 PolarHBondContact O-N 2.95Å; G238-S240 VanDerWaalsContact C-N 3.29Å; G238-S247 WeakPolarHBondContact CA-O 3.37Å |
| 239 | G | 91.2 | Very high | 92.6 | Very high | 33 Ų | 33 | 69.9 Ų | 69.9 | 34% | 0.34 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -90 | 7.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A236 P237 | A236-G239 PolarHBondContact O-N 3.11Å; P237-G239 PolarHBondContact O-N 2.9Å |
| 240 | S | 90.9 | Very high | 92.9 | Very high | 53 Ų | 53 | 71 Ų | 71 | 37% | 0.371 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -71.4 | 160.7 | 171.1 | 65.4 | 0 | 0 | 0 | 0 | 110.8 | P237 G238 N242 P243 | P237-S240 VanDerWaalsContact O-CB 3.27Å; P237-S240 WeakPolarHBondContact O-CB 3.5Å; P237-S240 PolarHBondContact O-N 3.44Å; P237-S240 PolarHBondContact O-OG 2.97Å; G238-S240 VanDerWaalsContact C-N 3.29Å; S240-N242 VanDerWaalsContact C-N 3.3Å; S240-N242 PolarHBondContact O-N 3.18Å; S240-P243 WeakPolarHBondContact O-CD 3.44Å; S240-P243 VanDerWaalsContact OG-CA 3.32Å; S240-P243 WeakPolarHBondContact OG-CA 3.35Å; S240-P243 WeakPolarHBondContact OG-CB 3.23Å |
| 241 | Y | 90.3 | Very high | 93.1 | Very high | 49 Ų | 49 | 67.6 Ų | 67.6 | 19% | 0.192 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -62.3 | -34.1 | 180 | 157.6 | -106.3 | 0 | 0 | 0 | 113.6 | A416 G417 S418 L419 L422 | Y241-A416 HydrophobicContact CE2-CB 3.86Å; Y241-A416 WeakPolarHBondContact CE2-O 3.21Å; Y241-A416 PolarHBondContact OH-O 2.88Å; Y241-G417 PolarHBondContact OH-O 3.15Å; Y241-S418 WeakPolarHBondContact OH-CA 3.41Å; Y241-S418 PolarHBondContact OH-N 2.75Å; Y241-L419 HydrophobicContact CD1-CD2 3.4Å; Y241-L419 VanDerWaalsContact CD1-CD2 3.4Å; Y241-L419 HydrophobicContact CD1-CG 3.89Å; Y241-L419 HydrophobicContact CD2-CD2 4.16Å; Y241-L419 HydrophobicContact CE1-CD2 3.8Å; Y241-L419 HydrophobicContact CE1-CG 3.77Å; Y241-L419 HydrophobicContact CE2-CD2 4.46Å; Y241-L419 HydrophobicContact CG-CD2 3.63Å; Y241-L419 HydrophobicContact CG-CG 4.49Å; Y241-L419 VanDerWaalsContact CZ-N 3.31Å; Y241-L419 PolarHBondContact OH-N 3.25Å; Y241-L422 HydrophobicContact CD2-CB 3.86Å; Y241-L422 HydrophobicContact CD2-CD1 3.25Å; Y241-L422 HydrophobicContact CD2-CG 4.1Å; Y241-L422 HydrophobicContact CE2-CB 4.08Å; Y241-L422 HydrophobicContact CE2-CD1 4.28Å; Y241-L422 HydrophobicContact CG-CD1 3.7Å |
| 242 | N | 91.8 | Very high | 93.3 | Very high | 131 Ų | 131 | 67 Ų | 67 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -132.3 | 77.2 | 176.4 | -174.7 | 24.4 | 0 | 0 | 0 | 109 | S240 | S240-N242 VanDerWaalsContact C-N 3.3Å; S240-N242 PolarHBondContact O-N 3.18Å |
| 243 | P | 94.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 69 Ų | 69 | 12% | 0.123 | 38% | 0.382 | C | S | . | . | trans | -80.2 | 156.5 | -174 | 32.1 | -31.9 | 0 | 0 | 0 | 111.8 | S240 H248 L415 | S240-P243 WeakPolarHBondContact O-CD 3.44Å; S240-P243 VanDerWaalsContact OG-CA 3.32Å; S240-P243 WeakPolarHBondContact OG-CA 3.35Å; S240-P243 WeakPolarHBondContact OG-CB 3.23Å; P243-H248 HydrophobicContact CB-CB 4.05Å; P243-H248 HydrophobicContact CG-CB 3.76Å; P243-L415 HydrophobicContact CG-CD1 4.45Å; P243-L415 HydrophobicContact CG-CD2 3.94Å | ||
| 244 | D | 95.3 | Very high | 94 | Very high | 100 Ų | 100 | 70.6 Ų | 70.6 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | trans | -66.5 | 144.1 | 165.1 | 176.8 | 48.5 | 0 | 0 | 0 | 109.9 | F246 S247 H248 | D244-F246 VanDerWaalsContact C-N 3.31Å; D244-F246 PolarHBondContact O-N 3.03Å; D244-S247 PolarHBondContact N-OG 3.06Å; D244-S247 PolarHBondContact O-N 3.13Å; D244-S247 PolarHBondContact O-OG 3.08Å; D244-H248 PolarHBondContact O-N 3.42Å | ||
| 245 | F | 94.6 | Very high | 94.3 | Very high | 134 Ų | 134 | 64.9 Ų | 64.9 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -53.8 | -46.6 | -174 | 176.6 | -97.7 | 0 | 0 | 0 | 112.1 | S247 H248 Q249 | F245-S247 PolarHBondContact O-N 2.91Å; F245-H248 PolarHBondContact O-N 3.5Å; F245-Q249 WeakPolarHBondContact O-CB 3.35Å; F245-Q249 PolarHBondContact O-N 3.28Å |
| 246 | F | 97.1 | Very high | 94.6 | Very high | 146 Ų | 146 | 66.6 Ų | 66.6 | 64% | 0.64 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66 | -39.4 | -179.5 | -63.9 | -71.7 | 0 | 0 | 0 | 112.2 | D244 A250 | D244-F246 VanDerWaalsContact C-N 3.31Å; D244-F246 PolarHBondContact O-N 3.03Å; F246-A250 WeakPolarHBondContact O-CB 3.22Å; F246-A250 PolarHBondContact O-N 3.46Å |
| 247 | S | 96.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 69.2 Ų | 69.2 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 178.8 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | G238 D244 F245 L251 | G238-S247 WeakPolarHBondContact CA-O 3.37Å; D244-S247 PolarHBondContact N-OG 3.06Å; D244-S247 PolarHBondContact O-N 3.13Å; D244-S247 PolarHBondContact O-OG 3.08Å; F245-S247 PolarHBondContact O-N 2.91Å; S247-L251 PolarHBondContact O-N 3.17Å |
| 248 | H | 95.4 | Very high | 94.9 | Very high | 9 Ų | 9 | 67.4 Ų | 67.4 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67 | -48 | 176.4 | 179.9 | -112.1 | 0 | 0 | 0 | 110.9 | P243 D244 F245 A250 L251 L252 Q410 | P243-H248 HydrophobicContact CB-CB 4.05Å; P243-H248 HydrophobicContact CG-CB 3.76Å; D244-H248 PolarHBondContact O-N 3.42Å; F245-H248 PolarHBondContact O-N 3.5Å; H248-A250 VanDerWaalsContact C-N 3.32Å; H248-A250 PolarHBondContact O-N 3.32Å; H248-L251 PolarHBondContact O-N 2.98Å; H248-L252 WeakPolarHBondContact CE1-CD1 3.41Å; H248-L252 PolarHBondContact O-N 3.33Å; H248-Q410 PolarHBondContact NE2-O 2.88Å |
| 249 | Q | 96.5 | Very high | 95 | Very high | 102 Ų | 102 | 71.7 Ų | 71.7 | 48% | 0.477 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 178.6 | -168.6 | 176.7 | 15 | 0 | 0 | 112.1 | F245 L252 Q253 | F245-Q249 WeakPolarHBondContact O-CB 3.35Å; F245-Q249 PolarHBondContact O-N 3.28Å; Q249-L252 PolarHBondContact O-N 2.77Å; Q249-Q253 VanDerWaalsContact O-CB 3.29Å; Q249-Q253 WeakPolarHBondContact O-CB 3.47Å; Q249-Q253 PolarHBondContact O-N 3.37Å |
| 250 | A | 96.6 | Very high | 95.4 | Very high | 55 Ų | 55 | 72.3 Ų | 72.3 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F246 H248 Q253 E254 | F246-A250 WeakPolarHBondContact O-CB 3.22Å; F246-A250 PolarHBondContact O-N 3.46Å; H248-A250 VanDerWaalsContact C-N 3.32Å; H248-A250 PolarHBondContact O-N 3.32Å; A250-Q253 PolarHBondContact O-N 2.97Å; A250-E254 PolarHBondContact O-N 3.35Å |
| 251 | L | 95.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.5 | -43 | 176.9 | -171.4 | 97.4 | 0 | 0 | 0 | 111.6 | A236 S247 H248 Q253 E254 A255 V409 | A236-L251 HydrophobicContact CB-CD1 3.53Å; S247-L251 PolarHBondContact O-N 3.17Å; H248-L251 PolarHBondContact O-N 2.98Å; L251-Q253 VanDerWaalsContact C-N 3.3Å; L251-Q253 PolarHBondContact O-N 3.48Å; L251-E254 WeakPolarHBondContact O-CB 3.5Å; L251-E254 PolarHBondContact O-N 3.37Å; L251-A255 PolarHBondContact O-N 3.28Å; L251-V409 HydrophobicContact CD2-CB 3.95Å; L251-V409 HydrophobicContact CD2-CG1 3.57Å; L251-V409 HydrophobicContact CD2-CG2 3.31Å; L251-V409 HydrophobicContact CG-CG1 4.44Å; L251-V409 HydrophobicContact CG-CG2 3.78Å |
| 252 | L | 96.1 | Very high | 96 | Very high | 40 Ų | 40 | 75.8 Ų | 75.8 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 173.5 | -83.3 | 177.5 | 0 | 0 | 0 | 111.8 | H248 Q249 A255 H256 V409 L411 | H248-L252 WeakPolarHBondContact CE1-CD1 3.41Å; H248-L252 PolarHBondContact O-N 3.33Å; Q249-L252 PolarHBondContact O-N 2.77Å; L252-A255 PolarHBondContact O-N 3.43Å; L252-H256 WeakPolarHBondContact O-CB 3.27Å; L252-H256 PolarHBondContact O-N 3.48Å; L252-V409 HydrophobicContact CD2-CG1 3.54Å; L252-V409 HydrophobicContact CG-CG1 3.98Å; L252-L411 HydrophobicContact CD2-CD2 4.18Å |
| 253 | Q | 96.3 | Very high | 96.2 | Very high | 112 Ų | 112 | 75.7 Ų | 75.7 | 52% | 0.523 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 177.1 | -171.9 | -177 | 5.4 | 0 | 0 | 111.2 | Q249 A250 L251 H256 Q257 | Q249-Q253 VanDerWaalsContact O-CB 3.29Å; Q249-Q253 WeakPolarHBondContact O-CB 3.47Å; Q249-Q253 PolarHBondContact O-N 3.37Å; A250-Q253 PolarHBondContact O-N 2.97Å; L251-Q253 VanDerWaalsContact C-N 3.3Å; L251-Q253 PolarHBondContact O-N 3.48Å; Q253-H256 PolarHBondContact O-N 3.35Å; Q253-Q257 VanDerWaalsContact O-CG 3.24Å; Q253-Q257 WeakPolarHBondContact O-CG 3.31Å; Q253-Q257 PolarHBondContact O-N 3.05Å |
| 254 | E | 96.1 | Very high | 96.4 | Very high | 103 Ų | 103 | 81.6 Ų | 81.6 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 174.3 | -172.5 | 179.7 | 178.1 | 0 | 0 | 111.2 | A250 L251 H256 Q257 V258 L407 | A250-E254 PolarHBondContact O-N 3.35Å; L251-E254 WeakPolarHBondContact O-CB 3.5Å; L251-E254 PolarHBondContact O-N 3.37Å; E254-H256 PolarHBondContact O-N 3.41Å; E254-Q257 PolarHBondContact O-N 2.87Å; E254-V258 PolarHBondContact O-N 3.17Å; E254-V258 VanDerWaalsContact O-N 3.15Å; E254-L407 HydrophobicContact CB-CD1 4.39Å; E254-L407 HydrophobicContact CG-CD1 3.94Å |
| 255 | A | 95.7 | Very high | 96.5 | Very high | 19 Ų | 19 | 82.7 Ų | 82.7 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L251 L252 Q257 V258 E259 L407 V409 | L251-A255 PolarHBondContact O-N 3.28Å; L252-A255 PolarHBondContact O-N 3.43Å; A255-Q257 VanDerWaalsContact C-N 3.34Å; A255-Q257 PolarHBondContact O-N 2.8Å; A255-V258 WeakPolarHBondContact O-CB 3.22Å; A255-V258 PolarHBondContact O-N 2.95Å; A255-E259 PolarHBondContact O-N 3.38Å; A255-L407 HydrophobicContact CB-CB 4.31Å; A255-L407 HydrophobicContact CB-CD1 4.19Å; A255-V409 HydrophobicContact CB-CG2 4.28Å |
| 256 | H | 97 | Very high | 96.6 | Very high | 120 Ų | 120 | 81.9 Ų | 81.9 | 56% | 0.556 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.3 | -41.5 | 176.7 | 173.9 | -101.2 | 0 | 0 | 0 | 112.1 | L252 Q253 E254 V258 E259 V260 | L252-H256 WeakPolarHBondContact O-CB 3.27Å; L252-H256 PolarHBondContact O-N 3.48Å; Q253-H256 PolarHBondContact O-N 3.35Å; E254-H256 PolarHBondContact O-N 3.41Å; H256-V258 VanDerWaalsContact C-N 3.31Å; H256-V258 PolarHBondContact O-N 3.37Å; H256-E259 PolarHBondContact O-N 2.98Å; H256-V260 VanDerWaalsContact CE1-CG2 3.49Å; H256-V260 WeakPolarHBondContact CE1-CG2 3.28Å; H256-V260 WeakPolarHBondContact NE2-CG2 3.44Å; H256-V260 WeakPolarHBondContact O-CB 3.49Å; H256-V260 VanDerWaalsContact O-CG2 3.28Å; H256-V260 WeakPolarHBondContact O-CG2 3.31Å; H256-V260 PolarHBondContact O-N 2.98Å |
| 257 | Q | 97.6 | Very high | 96.6 | Very high | 98 Ų | 98 | 77.4 Ų | 77.4 | 46% | 0.458 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 176.5 | -75 | 173.4 | 21 | 0 | 0 | 112.2 | Q253 E254 A255 Q261 | Q253-Q257 VanDerWaalsContact O-CG 3.24Å; Q253-Q257 WeakPolarHBondContact O-CG 3.31Å; Q253-Q257 PolarHBondContact O-N 3.05Å; E254-Q257 PolarHBondContact O-N 2.87Å; A255-Q257 VanDerWaalsContact C-N 3.34Å; A255-Q257 PolarHBondContact O-N 2.8Å; Q257-Q261 VanDerWaalsContact O-CG 3.29Å; Q257-Q261 WeakPolarHBondContact O-CG 3.45Å; Q257-Q261 PolarHBondContact O-N 3.39Å; Q257-Q261 VanDerWaalsContact O-N 3.09Å |
| 258 | V | 96.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 82.4 Ų | 82.4 | 35% | 0.345 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.9 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | E254 A255 H256 Q261 K262 | E254-V258 PolarHBondContact O-N 3.17Å; E254-V258 VanDerWaalsContact O-N 3.15Å; A255-V258 WeakPolarHBondContact O-CB 3.22Å; A255-V258 PolarHBondContact O-N 2.95Å; H256-V258 VanDerWaalsContact C-N 3.31Å; H256-V258 PolarHBondContact O-N 3.37Å; V258-Q261 WeakPolarHBondContact O-CB 3.25Å; V258-Q261 PolarHBondContact O-N 3.21Å; V258-K262 PolarHBondContact O-N 3.4Å; V258-K262 VanDerWaalsContact O-N 3.08Å |
| 259 | E | 95.7 | Very high | 96.6 | Very high | 92 Ų | 92 | 86.8 Ų | 86.8 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 178.8 | -69.5 | -53.2 | 133.9 | 0 | 0 | 112.6 | A255 H256 Q261 K262 K263 | A255-E259 PolarHBondContact O-N 3.38Å; H256-E259 PolarHBondContact O-N 2.98Å; E259-Q261 PolarHBondContact O-N 3.34Å; E259-K262 WeakPolarHBondContact O-CB 3.29Å; E259-K262 PolarHBondContact O-N 3Å; E259-K262 VanDerWaalsContact O-N 3.12Å; E259-K262 IonicContact OE1-NZ 3.05Å; E259-K262 PolarHBondContact OE1-NZ 2.98Å; E259-K262 IonicContact OE2-NZ 3.89Å; E259-K263 PolarHBondContact O-N 3.18Å |
| 260 | V | 97.9 | Very high | 96.6 | Very high | 47 Ų | 47 | 88 Ų | 88 | 29% | 0.285 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.1 | -37.7 | 173.6 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | H256 K264 | H256-V260 VanDerWaalsContact CE1-CG2 3.49Å; H256-V260 WeakPolarHBondContact CE1-CG2 3.28Å; H256-V260 WeakPolarHBondContact NE2-CG2 3.44Å; H256-V260 WeakPolarHBondContact O-CB 3.49Å; H256-V260 VanDerWaalsContact O-CG2 3.28Å; H256-V260 WeakPolarHBondContact O-CG2 3.31Å; H256-V260 PolarHBondContact O-N 2.98Å; V260-K264 HydrophobicContact CG1-CD 4.09Å; V260-K264 HydrophobicContact CG1-CG 4.45Å; V260-K264 WeakPolarHBondContact O-CB 3.49Å; V260-K264 VanDerWaalsContact O-CG 3.25Å; V260-K264 WeakPolarHBondContact O-CG 3.49Å; V260-K264 PolarHBondContact O-N 2.83Å |
| 261 | Q | 97.1 | Very high | 96.4 | Very high | 115 Ų | 115 | 94.7 Ų | 94.7 | 54% | 0.537 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 175.8 | -73.3 | 175.4 | 26.2 | 0 | 0 | 112.3 | Q257 V258 E259 Q265 | Q257-Q261 VanDerWaalsContact O-CG 3.29Å; Q257-Q261 WeakPolarHBondContact O-CG 3.45Å; Q257-Q261 PolarHBondContact O-N 3.39Å; Q257-Q261 VanDerWaalsContact O-N 3.09Å; V258-Q261 WeakPolarHBondContact O-CB 3.25Å; V258-Q261 PolarHBondContact O-N 3.21Å; E259-Q261 PolarHBondContact O-N 3.34Å; Q261-Q265 WeakPolarHBondContact O-CG 3.39Å; Q261-Q265 PolarHBondContact O-N 3.23Å; Q261-Q265 VanDerWaalsContact O-N 3.16Å |
| 262 | K | 96.3 | Very high | 96.2 | Very high | 60 Ų | 60 | 100.8 Ų | 100.8 | 26% | 0.261 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 174.9 | -68.9 | 175.3 | -175.9 | 168.6 | 0 | 110.9 | V258 E259 K264 Q265 E266 D406 | V258-K262 PolarHBondContact O-N 3.4Å; V258-K262 VanDerWaalsContact O-N 3.08Å; E259-K262 WeakPolarHBondContact O-CB 3.29Å; E259-K262 PolarHBondContact O-N 3Å; E259-K262 VanDerWaalsContact O-N 3.12Å; E259-K262 IonicContact OE1-NZ 3.05Å; E259-K262 PolarHBondContact OE1-NZ 2.98Å; E259-K262 IonicContact OE2-NZ 3.89Å; K262-K264 VanDerWaalsContact C-N 3.34Å; K262-K264 PolarHBondContact O-N 3.01Å; K262-Q265 WeakPolarHBondContact O-CA 2.88Å; K262-Q265 WeakPolarHBondContact O-CB 3.26Å; K262-Q265 PolarHBondContact O-N 3.07Å; K262-E266 PolarHBondContact O-N 3.45Å; K262-D406 VanDerWaalsContact NZ-CG 3.34Å; K262-D406 IonicContact NZ-OD1 2.65Å; K262-D406 PolarHBondContact NZ-OD1 3.05Å; K262-D406 IonicContact NZ-OD2 2.65Å |
| 263 | K | 97.8 | Very high | 95.9 | Very high | 129 Ų | 129 | 105.5 Ų | 105.5 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.6 | -44.1 | 177.7 | -172.2 | 174 | -178.3 | 174.8 | 0 | 112.3 | E259 Q265 E266 D267 | E259-K263 PolarHBondContact O-N 3.18Å; K263-Q265 VanDerWaalsContact C-N 3.26Å; K263-Q265 PolarHBondContact O-N 2.88Å; K263-E266 PolarHBondContact O-N 3.15Å; K263-E266 VanDerWaalsContact O-N 3.17Å; K263-D267 WeakPolarHBondContact O-CB 3.18Å; K263-D267 VanDerWaalsContact O-CG 3.23Å; K263-D267 PolarHBondContact O-N 3.36Å |
| 264 | K | 98.1 | Very high | 95.4 | Very high | 142 Ų | 142 | 103.1 Ų | 103.1 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.2 | -34.1 | 174.6 | -77.7 | 175.6 | -180 | 179.4 | 0 | 113.1 | V260 K262 K268 | V260-K264 HydrophobicContact CG1-CD 4.09Å; V260-K264 HydrophobicContact CG1-CG 4.45Å; V260-K264 WeakPolarHBondContact O-CB 3.49Å; V260-K264 VanDerWaalsContact O-CG 3.25Å; V260-K264 WeakPolarHBondContact O-CG 3.49Å; V260-K264 PolarHBondContact O-N 2.83Å; K262-K264 VanDerWaalsContact C-N 3.34Å; K262-K264 PolarHBondContact O-N 3.01Å; K264-K268 VanDerWaalsContact O-CB 3.25Å; K264-K268 WeakPolarHBondContact O-CB 3.45Å; K264-K268 PolarHBondContact O-N 3.13Å; K264-K268 VanDerWaalsContact O-N 3.1Å |
| 265 | Q | 96.9 | Very high | 94.5 | Very high | 124 Ų | 124 | 104 Ų | 104 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.1 | -41.3 | 175.9 | -70 | 171.4 | 19.4 | 0 | 0 | 111.2 | Q261 K262 K263 K268 L269 | Q261-Q265 WeakPolarHBondContact O-CG 3.39Å; Q261-Q265 PolarHBondContact O-N 3.23Å; Q261-Q265 VanDerWaalsContact O-N 3.16Å; K262-Q265 WeakPolarHBondContact O-CA 2.88Å; K262-Q265 WeakPolarHBondContact O-CB 3.26Å; K262-Q265 PolarHBondContact O-N 3.07Å; K263-Q265 VanDerWaalsContact C-N 3.26Å; K263-Q265 PolarHBondContact O-N 2.88Å; Q265-K268 PolarHBondContact O-N 2.98Å; Q265-L269 WeakPolarHBondContact O-CG 3.39Å; Q265-L269 PolarHBondContact O-N 3.02Å |
| 266 | E | 96.9 | Very high | 93.6 | Very high | 116 Ų | 116 | 108 Ų | 108 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -53.6 | 174.2 | -68.8 | 172.2 | 168.5 | 0 | 0 | 110.9 | K262 K263 K268 L269 E270 | K262-E266 PolarHBondContact O-N 3.45Å; K263-E266 PolarHBondContact O-N 3.15Å; K263-E266 VanDerWaalsContact O-N 3.17Å; E266-K268 PolarHBondContact O-N 3.19Å; E266-L269 CarbonylContact O-C 3.55Å; E266-L269 WeakPolarHBondContact O-CA 3.47Å; E266-L269 WeakPolarHBondContact O-CB 3.41Å; E266-L269 PolarHBondContact O-N 2.79Å; E266-E270 WeakPolarHBondContact O-CG 3.36Å; E266-E270 PolarHBondContact O-N 2.95Å |
| 267 | D | 97.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 110.7 Ų | 110.7 | 28% | 0.278 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -55 | -38.4 | 176 | -66.5 | -15.8 | 0 | 0 | 0 | 111.5 | K263 R271 | K263-D267 WeakPolarHBondContact O-CB 3.18Å; K263-D267 VanDerWaalsContact O-CG 3.23Å; K263-D267 PolarHBondContact O-N 3.36Å; D267-R271 WeakPolarHBondContact O-CB 3.5Å; D267-R271 WeakPolarHBondContact O-CG 3.32Å; D267-R271 PolarHBondContact O-N 2.94Å |
| 268 | K | 96.9 | Very high | 90.9 | Very high | 134 Ų | 134 | 114.8 Ų | 114.8 | 58% | 0.583 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 176.7 | -177.7 | 178.2 | 179.8 | 178.4 | 0 | 111.5 | K264 Q265 E266 Q272 | K264-K268 VanDerWaalsContact O-CB 3.25Å; K264-K268 WeakPolarHBondContact O-CB 3.45Å; K264-K268 PolarHBondContact O-N 3.13Å; K264-K268 VanDerWaalsContact O-N 3.1Å; Q265-K268 PolarHBondContact O-N 2.98Å; E266-K268 PolarHBondContact O-N 3.19Å; K268-Q272 VanDerWaalsContact O-CG 3.28Å; K268-Q272 WeakPolarHBondContact O-CG 3.25Å; K268-Q272 PolarHBondContact O-N 3.28Å |
| 269 | L | 95.6 | Very high | 89.4 | Confident | 101 Ų | 101 | 117.6 Ų | 117.6 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.2 | -42.8 | 175.8 | -71.4 | 173.3 | 0 | 0 | 0 | 110.9 | Q265 E266 R271 Q272 L273 | Q265-L269 WeakPolarHBondContact O-CG 3.39Å; Q265-L269 PolarHBondContact O-N 3.02Å; E266-L269 CarbonylContact O-C 3.55Å; E266-L269 WeakPolarHBondContact O-CA 3.47Å; E266-L269 WeakPolarHBondContact O-CB 3.41Å; E266-L269 PolarHBondContact O-N 2.79Å; L269-R271 VanDerWaalsContact C-N 3.35Å; L269-R271 PolarHBondContact O-N 3.2Å; L269-Q272 CarbonylContact O-C 3.59Å; L269-Q272 PolarHBondContact O-N 3.23Å; L269-Q272 VanDerWaalsContact O-N 3.13Å; L269-L273 WeakPolarHBondContact O-CB 3.16Å; L269-L273 VanDerWaalsContact O-CG 3.31Å; L269-L273 WeakPolarHBondContact O-CG 3.46Å; L269-L273 PolarHBondContact O-N 3.19Å |
| 270 | E | 95 | Very high | 88.3 | Confident | 128 Ų | 128 | 119.1 Ų | 119.1 | 60% | 0.598 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.6 | -44.8 | 175.1 | -72.8 | -174.8 | 175.1 | 0 | 0 | 111.3 | E266 Q272 L273 A274 | E266-E270 WeakPolarHBondContact O-CG 3.36Å; E266-E270 PolarHBondContact O-N 2.95Å; E270-Q272 VanDerWaalsContact C-N 3.3Å; E270-Q272 PolarHBondContact O-N 3.48Å; E270-L273 CarbonylContact O-C 3.6Å; E270-L273 PolarHBondContact O-N 2.99Å; E270-A274 WeakPolarHBondContact O-CA 3.35Å; E270-A274 WeakPolarHBondContact O-CB 3.45Å; E270-A274 PolarHBondContact O-N 3.29Å |
| 271 | R | 92.2 | Very high | 87.1 | Confident | 195 Ų | 195 | 119.6 Ų | 119.6 | 74% | 0.736 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.2 | -35.6 | 174.1 | -72.7 | 170.5 | -167.5 | -166.2 | 3.3 | 113.1 | D267 L269 | D267-R271 WeakPolarHBondContact O-CB 3.5Å; D267-R271 WeakPolarHBondContact O-CG 3.32Å; D267-R271 PolarHBondContact O-N 2.94Å; L269-R271 VanDerWaalsContact C-N 3.35Å; L269-R271 PolarHBondContact O-N 3.2Å |
| 272 | Q | 91.3 | Very high | 86.3 | Confident | 133 Ų | 133 | 118 Ų | 118 | 62% | 0.621 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.9 | -32.4 | 176.6 | -75.5 | 179.1 | -16.2 | 0 | 0 | 112.7 | K268 L269 E270 | K268-Q272 VanDerWaalsContact O-CG 3.28Å; K268-Q272 WeakPolarHBondContact O-CG 3.25Å; K268-Q272 PolarHBondContact O-N 3.28Å; L269-Q272 CarbonylContact O-C 3.59Å; L269-Q272 PolarHBondContact O-N 3.23Å; L269-Q272 VanDerWaalsContact O-N 3.13Å; E270-Q272 VanDerWaalsContact C-N 3.3Å; E270-Q272 PolarHBondContact O-N 3.48Å |
| 273 | L | 89.6 | Confident | 85.5 | Confident | 138 Ų | 138 | 122.9 Ų | 122.9 | 72% | 0.723 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -85 | -19 | 176.5 | -70.4 | 174 | 0 | 0 | 0 | 112.7 | L269 E270 I275 | L269-L273 WeakPolarHBondContact O-CB 3.16Å; L269-L273 VanDerWaalsContact O-CG 3.31Å; L269-L273 WeakPolarHBondContact O-CG 3.46Å; L269-L273 PolarHBondContact O-N 3.19Å; E270-L273 CarbonylContact O-C 3.6Å; E270-L273 PolarHBondContact O-N 2.99Å; L273-I275 PolarHBondContact O-N 3.47Å |
| 274 | A | 87.6 | Confident | 84.5 | Confident | 62 Ų | 62 | 123.1 Ų | 123.1 | 51% | 0.512 | 60% | 0.602 | S | S | . | * | trans | -64.5 | 98.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | E270 N276 | E270-A274 WeakPolarHBondContact O-CA 3.35Å; E270-A274 WeakPolarHBondContact O-CB 3.45Å; E270-A274 PolarHBondContact O-N 3.29Å; A274-N276 PolarHBondContact O-N 2.77Å | ||
| 275 | I | 76.2 | Confident | 83.7 | Confident | 123 Ų | 123 | 118.9 Ų | 118.9 | 63% | 0.631 | 59% | 0.588 | S | S | * | * | trans | -64.2 | 127.9 | 167.5 | -59.1 | 169.6 | 0 | 0 | 0 | 106.7 | L273 K277 K280 | L273-I275 PolarHBondContact O-N 3.47Å; I275-K277 PolarHBondContact O-N 2.95Å; I275-K280 HydrophobicContact CG2-CG 4.41Å | ||
| 276 | N | 77.2 | Confident | 83 | Confident | 103 Ų | 103 | 116 Ų | 116 | 55% | 0.551 | 58% | 0.577 | S | S | * | * | trans | -56.8 | 125.3 | 172.2 | -61.2 | -39.2 | 0 | 0 | 0 | 107.6 | A274 E278 D279 | A274-N276 PolarHBondContact O-N 2.77Å; N276-E278 PolarHBondContact O-N 3.23Å; N276-E278 VanDerWaalsContact O-N 3.13Å; N276-D279 HydrophobicContact CB-CB 4.24Å; N276-D279 VanDerWaalsContact CB-OD2 3.31Å; N276-D279 WeakPolarHBondContact CB-OD2 3.28Å; N276-D279 PolarHBondContact ND2-OD2 3.01Å; N276-D279 PolarHBondContact O-N 3.45Å | ||
| 277 | K | 68.6 | Low | 82.2 | Confident | 176 Ų | 176 | 115.3 Ų | 115.3 | 77% | 0.765 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -62.1 | -23.4 | -177.9 | -67.8 | 177.5 | -179.1 | 175 | 0 | 112.2 | I275 K280 | I275-K277 PolarHBondContact O-N 2.95Å; K277-K280 WeakPolarHBondContact O-CB 3.37Å; K277-K280 PolarHBondContact O-N 3.27Å |
| 278 | E | 68.2 | Low | 81.5 | Confident | 184 Ų | 184 | 121.6 Ų | 121.6 | 86% | 0.86 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -73.7 | -28.1 | 176.6 | -63.7 | 171.3 | -175 | 0 | 0 | 112.6 | N276 K280 | N276-E278 PolarHBondContact O-N 3.23Å; N276-E278 VanDerWaalsContact O-N 3.13Å; E278-K280 PolarHBondContact O-N 3.06Å |
| 279 | D | 66 | Low | 80.8 | Confident | 116 Ų | 116 | 121.5 Ų | 121.5 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -85.2 | 4.3 | 176.5 | -61.7 | -27.4 | 0 | 0 | 0 | 112.2 | N276 A281 | N276-D279 HydrophobicContact CB-CB 4.24Å; N276-D279 VanDerWaalsContact CB-OD2 3.31Å; N276-D279 WeakPolarHBondContact CB-OD2 3.28Å; N276-D279 PolarHBondContact ND2-OD2 3.01Å; N276-D279 PolarHBondContact O-N 3.45Å; D279-A281 PolarHBondContact O-N 3.09Å |
| 280 | K | 71.3 | Confident | 80.1 | Confident | 124 Ų | 124 | 123.9 Ų | 123.9 | 54% | 0.539 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -77 | 119.2 | 172.3 | -70.6 | -176.6 | 177.8 | -174.6 | 0 | 108.1 | I275 K277 E278 T282 | I275-K280 HydrophobicContact CG2-CG 4.41Å; K277-K280 WeakPolarHBondContact O-CB 3.37Å; K277-K280 PolarHBondContact O-N 3.27Å; E278-K280 PolarHBondContact O-N 3.06Å; K280-T282 PolarHBondContact O-N 3.35Å |
| 281 | A | 73.9 | Confident | 79.3 | Confident | 57 Ų | 57 | 121.7 Ų | 121.7 | 47% | 0.471 | 60% | 0.601 | S | S | . | * | trans | -52 | 112.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D279 T285 N286 | D279-A281 PolarHBondContact O-N 3.09Å; A281-T285 VanDerWaalsContact CA-OG1 3.24Å; A281-T285 WeakPolarHBondContact CA-OG1 3.5Å; A281-T285 WeakPolarHBondContact CB-OG1 3.34Å; A281-N286 VanDerWaalsContact CB-OD1 3.26Å; A281-N286 WeakPolarHBondContact CB-OD1 3.12Å | ||
| 282 | T | 79.2 | Confident | 78.3 | Confident | 81 Ų | 81 | 120 Ų | 120 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | trans | -66.3 | 157.3 | 169.7 | -45.6 | 0 | 0 | 0 | 0 | 108.6 | K280 E284 T285 N286 | K280-T282 PolarHBondContact O-N 3.35Å; T282-E284 PolarHBondContact O-N 3.1Å; T282-E284 VanDerWaalsContact O-N 3.13Å; T282-T285 PolarHBondContact N-OG1 2.85Å; T282-T285 PolarHBondContact O-N 3Å; T282-T285 PolarHBondContact O-OG1 3.17Å; T282-N286 PolarHBondContact O-N 3.21Å; T282-N286 PolarHBondContact O-ND2 3.18Å | ||
| 283 | E | 79.8 | Confident | 77 | Confident | 163 Ų | 163 | 117.1 Ų | 117.1 | 76% | 0.762 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -53.2 | -35.6 | 174.9 | -64.2 | -178.9 | 170.9 | 0 | 0 | 111.7 | N286 L287 | E283-N286 PolarHBondContact O-N 3.1Å; E283-L287 WeakPolarHBondContact O-CB 3.35Å; E283-L287 WeakPolarHBondContact O-CG 3.39Å; E283-L287 PolarHBondContact O-N 3.01Å |
| 284 | E | 77.8 | Confident | 75.9 | Confident | 133 Ų | 133 | 117.8 Ų | 117.8 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.6 | -38.1 | 175.5 | -61.5 | -176.1 | 169.1 | 0 | 0 | 114 | T282 L287 R288 | T282-E284 PolarHBondContact O-N 3.1Å; T282-E284 VanDerWaalsContact O-N 3.13Å; E284-L287 PolarHBondContact O-N 3.37Å; E284-R288 WeakPolarHBondContact O-CG 3.49Å; E284-R288 PolarHBondContact O-N 3.5Å |
| 285 | T | 80 | Confident | 74.3 | Confident | 54 Ų | 54 | 120.1 Ų | 120.1 | 33% | 0.331 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -73.8 | -37.9 | 178.2 | 59.7 | 0 | 0 | 0 | 0 | 110.6 | A281 T282 L287 R288 E289 | A281-T285 VanDerWaalsContact CA-OG1 3.24Å; A281-T285 WeakPolarHBondContact CA-OG1 3.5Å; A281-T285 WeakPolarHBondContact CB-OG1 3.34Å; T282-T285 PolarHBondContact N-OG1 2.85Å; T282-T285 PolarHBondContact O-N 3Å; T282-T285 PolarHBondContact O-OG1 3.17Å; T285-L287 VanDerWaalsContact C-N 3.3Å; T285-L287 PolarHBondContact O-N 3.31Å; T285-R288 PolarHBondContact O-N 2.98Å; T285-E289 PolarHBondContact O-N 3.19Å |
| 286 | N | 82.1 | Confident | 73.1 | Confident | 63 Ų | 63 | 122.6 Ų | 122.6 | 34% | 0.337 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.7 | -37.5 | 172.4 | -68.5 | -39.5 | 0 | 0 | 0 | 111.9 | A281 T282 E283 Q290 | A281-N286 VanDerWaalsContact CB-OD1 3.26Å; A281-N286 WeakPolarHBondContact CB-OD1 3.12Å; T282-N286 PolarHBondContact O-N 3.21Å; T282-N286 PolarHBondContact O-ND2 3.18Å; E283-N286 PolarHBondContact O-N 3.1Å; N286-Q290 WeakPolarHBondContact O-CB 3.44Å; N286-Q290 VanDerWaalsContact O-CG 3.24Å; N286-Q290 WeakPolarHBondContact O-CG 3.22Å; N286-Q290 PolarHBondContact O-N 3.22Å |
| 287 | L | 81.4 | Confident | 71.7 | Confident | 102 Ų | 102 | 126.7 Ų | 126.7 | 53% | 0.534 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67 | -39.9 | 174.3 | -78 | 170.6 | 0 | 0 | 0 | 111.9 | E283 E284 T285 Q290 V291 | E283-L287 WeakPolarHBondContact O-CB 3.35Å; E283-L287 WeakPolarHBondContact O-CG 3.39Å; E283-L287 PolarHBondContact O-N 3.01Å; E284-L287 PolarHBondContact O-N 3.37Å; T285-L287 VanDerWaalsContact C-N 3.3Å; T285-L287 PolarHBondContact O-N 3.31Å; L287-Q290 PolarHBondContact O-N 3.41Å; L287-V291 VanDerWaalsContact O-CG2 3.24Å; L287-V291 WeakPolarHBondContact O-CG2 3.4Å; L287-V291 PolarHBondContact O-N 3.11Å; L287-V291 VanDerWaalsContact O-N 3.09Å |
| 288 | R | 81.7 | Confident | 70.7 | Confident | 184 Ų | 184 | 126.9 Ų | 126.9 | 69% | 0.694 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -61.4 | -46.4 | 174.4 | -75.1 | 179.6 | -173.9 | 172.8 | 3.8 | 111.8 | E284 T285 Q290 V291 E292 | E284-R288 WeakPolarHBondContact O-CG 3.49Å; E284-R288 PolarHBondContact O-N 3.5Å; T285-R288 PolarHBondContact O-N 2.98Å; R288-Q290 VanDerWaalsContact C-N 3.28Å; R288-Q290 PolarHBondContact O-N 2.73Å; R288-V291 PolarHBondContact O-N 3.22Å; R288-V291 VanDerWaalsContact O-N 3.1Å; R288-E292 WeakPolarHBondContact O-CB 3.45Å; R288-E292 PolarHBondContact O-N 2.87Å |
| 289 | E | 81.6 | Confident | 69.3 | Low | 131 Ų | 131 | 126.5 Ų | 126.5 | 61% | 0.612 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.9 | -33.2 | 175.4 | -72.1 | -178.8 | -177.6 | 0 | 0 | 112.8 | T285 V291 | T285-E289 PolarHBondContact O-N 3.19Å; E289-V291 VanDerWaalsContact C-N 3.31Å |
| 290 | Q | 80.9 | Confident | 68 | Low | 151 Ų | 151 | 129.6 Ų | 129.6 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.1 | -21.6 | 176.1 | -75.4 | 174 | 16.6 | 0 | 0 | 113.5 | N286 L287 R288 | N286-Q290 WeakPolarHBondContact O-CB 3.44Å; N286-Q290 VanDerWaalsContact O-CG 3.24Å; N286-Q290 WeakPolarHBondContact O-CG 3.22Å; N286-Q290 PolarHBondContact O-N 3.22Å; L287-Q290 PolarHBondContact O-N 3.41Å; R288-Q290 VanDerWaalsContact C-N 3.28Å; R288-Q290 PolarHBondContact O-N 2.73Å |
| 291 | V | 79.3 | Confident | 66.3 | Low | 83 Ų | 83 | 133.4 Ų | 133.4 | 50% | 0.503 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -96.3 | -25.1 | 179.4 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | L287 R288 E289 G293 L294 | L287-V291 VanDerWaalsContact O-CG2 3.24Å; L287-V291 WeakPolarHBondContact O-CG2 3.4Å; L287-V291 PolarHBondContact O-N 3.11Å; L287-V291 VanDerWaalsContact O-N 3.09Å; R288-V291 PolarHBondContact O-N 3.22Å; R288-V291 VanDerWaalsContact O-N 3.1Å; E289-V291 VanDerWaalsContact C-N 3.31Å; V291-G293 PolarHBondContact O-N 2.88Å; V291-G293 VanDerWaalsContact O-N 3.17Å; V291-L294 WeakPolarHBondContact O-CB 3.43Å; V291-L294 PolarHBondContact O-N 3.34Å |
| 292 | E | 71.5 | Confident | 64.3 | Low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 108.9 | 173.1 | -164.9 | 170.5 | -164 | 0 | 0 | 109.7 | R288 | R288-E292 WeakPolarHBondContact O-CB 3.45Å; R288-E292 PolarHBondContact O-N 2.87Å |
| 293 | G | 64.2 | Low | 61.9 | Low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114.1 | -6.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V291 | V291-G293 PolarHBondContact O-N 2.88Å; V291-G293 VanDerWaalsContact O-N 3.17Å |
| 294 | L | 64.9 | Low | 59.6 | Low | 152 Ų | 152 | 140.8 Ų | 140.8 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -91.7 | -10.1 | 167 | -155.4 | 74.1 | 0 | 0 | 0 | 112.6 | V291 | V291-L294 WeakPolarHBondContact O-CB 3.43Å; V291-L294 PolarHBondContact O-N 3.34Å |
| 295 | V | 53.8 | Low | 57.4 | Low | 112 Ų | 112 | 141 Ų | 141 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -102.5 | 102.7 | 169.9 | -176.9 | 0 | 0 | 0 | 0 | 106.5 | E297 | V295-E297 PolarHBondContact O-N 3.24Š|
| 296 | E | 51.5 | Low | 55.2 | Low | 175 Ų | 175 | 147.2 Ų | 147.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -64.6 | 109.4 | 166 | -79.5 | 174.7 | 152 | 0 | 0 | 107.5 | E298 | E296-E298 VanDerWaalsContact C-N 3.29Å; E296-E298 PolarHBondContact O-N 3.3Å | ||
| 297 | E | 47.4 | Very low | 52.7 | Low | 189 Ų | 189 | 152.7 Ų | 152.7 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -69 | 90.1 | 164.1 | -73.6 | 177.7 | 160.6 | 0 | 0 | 107.8 | V295 E299 | V295-E297 PolarHBondContact O-N 3.24Å; E297-E299 VanDerWaalsContact C-N 3.29Å; E297-E299 PolarHBondContact O-N 3.04Å | ||
| 298 | E | 47.9 | Very low | 50.2 | Low | 179 Ų | 179 | 153.8 Ų | 153.8 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -73.9 | 83.5 | 158.5 | -77.4 | -175 | 156.5 | 0 | 0 | 108.6 | E296 | E296-E298 VanDerWaalsContact C-N 3.29Å; E296-E298 PolarHBondContact O-N 3.3Å | ||
| 299 | E | 38.7 | Very low | 47.9 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -136.5 | 92.2 | 161.8 | -82.2 | -171.9 | 171.4 | 0 | 0 | 110.2 | E297 | E297-E299 VanDerWaalsContact C-N 3.29Å; E297-E299 PolarHBondContact O-N 3.04Å | ||
| 300 | E | 38.3 | Very low | 46.1 | Very low | 180 Ų | 180 | 148 Ų | 148 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | 27.8 | 94.5 | 135.8 | -63.9 | 176 | 168.3 | 0 | 0 | 118.4 | ||||
| 301 | E | 35.8 | Very low | 43.5 | Very low | 204 Ų | 204 | 146.3 Ų | 146.3 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | -95 | 80.1 | 148.4 | -76.3 | -166.3 | 167.4 | 0 | 0 | 109.2 | ||||
| 302 | E | 32.7 | Very low | 41.4 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | -85 | 125.4 | 165.6 | -124.1 | -176.8 | -167 | 0 | 0 | 110 | ||||
| 303 | N | 29.6 | Very low | 39.5 | Very low | 131 Ų | 131 | 153 Ų | 153 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 50.6 | 114.3 | 150.3 | -73.1 | -30.3 | 0 | 0 | 0 | 120.5 | ||||
| 304 | N | 30.9 | Very low | 38.2 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -144.6 | 81.5 | 135.5 | -145.2 | -8.4 | 0 | 0 | 0 | 110.8 | ||||
| 305 | D | 31 | Very low | 36.8 | Very low | 138 Ų | 138 | 156.8 Ų | 156.8 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | -68.7 | 131.9 | 152.9 | -87.7 | -33.1 | 0 | 0 | 0 | 108.6 | ||||
| 306 | E | 33.9 | Very low | 35.7 | Very low | 184 Ų | 184 | 160 Ų | 160 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 178.2 | 95.5 | 133.7 | -100.9 | 178.3 | -178.9 | 0 | 0 | 111.2 | ||||
| 307 | E | 29.6 | Very low | 35 | Very low | 179 Ų | 179 | 155.9 Ų | 155.9 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | 29.9 | 117.5 | 115.1 | -155.4 | 144.9 | -154.3 | 0 | 0 | 119.3 | |||||
| 308 | S | 29.1 | Very low | 34.3 | Very low | 125 Ų | 125 | 151.7 Ų | 151.7 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -148.1 | 95.8 | 150.4 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 309 | A | 32.5 | Very low | 33.7 | Very low | 76 Ų | 76 | 151 Ų | 151 | 63% | 0.628 | 81% | 0.807 | S | S | * | * | trans | -78.9 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 310 | P | 45 | Very low | 33.6 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -93.3 | 164.7 | -146.2 | 40.4 | -38.9 | 0 | 0 | 0 | 113.3 | ||||
| 311 | S | 26.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -168.3 | 120.6 | 157.2 | -79.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 312 | K | 33.4 | Very low | 34.1 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | -180 | 87.9 | 125.3 | -93.6 | 172.4 | -169.6 | -171.9 | 0 | 108.7 | |||||
| 313 | E | 32.8 | Very low | 34.7 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -64.8 | 136 | 144.5 | -69 | 175.8 | 154.3 | 0 | 0 | 107.3 | ||||
| 314 | D | 35.9 | Very low | 35.7 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -148.1 | 104.8 | 146 | -83.7 | -36.7 | 0 | 0 | 0 | 106.4 | ||||
| 315 | E | 35.8 | Very low | 36.9 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 54.2 | 103 | 130 | -62.2 | -170.8 | 173.2 | 0 | 0 | 117.5 | ||||
| 316 | E | 31.8 | Very low | 38.5 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | 85.2 | 127.3 | 88.2 | -84.8 | -163.6 | 155.6 | 0 | 0 | 114.6 | |||||
| 317 | A | 35.8 | Very low | 39.9 | Very low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | 61.7 | 79.1 | 142.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 318 | A | 33.5 | Very low | 41.5 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -115.1 | 76.1 | 138.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | A320 | A318-A320 PolarHBondContact O-N 3.1Š| ||
| 319 | L | 34.5 | Very low | 43.7 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | trans | -51.7 | 108.3 | 157.7 | -71.6 | 167.1 | 0 | 0 | 0 | 107.1 | A321 | L319-A321 PolarHBondContact O-N 3.39Š| ||
| 320 | A | 37.1 | Very low | 45.6 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | -68.6 | 76.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | A318 I322 | A318-A320 PolarHBondContact O-N 3.1Å; A320-I322 PolarHBondContact O-N 3.42Å; A320-I322 VanDerWaalsContact O-N 3.11Å | ||
| 321 | A | 39.5 | Very low | 47.2 | Very low | 86 Ų | 86 | 139.1 Ų | 139.1 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -58.7 | 114.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | L319 A323 | L319-A321 PolarHBondContact O-N 3.39Å; A321-A323 PolarHBondContact O-N 3.41Å | ||
| 322 | I | 44.2 | Very low | 49.6 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | trans | -62.9 | 88.4 | 164.6 | -63.3 | 167.2 | 0 | 0 | 0 | 105.3 | A320 V324 | A320-I322 PolarHBondContact O-N 3.42Å; A320-I322 VanDerWaalsContact O-N 3.11Å; I322-V324 PolarHBondContact O-N 2.94Å | ||
| 323 | A | 45.4 | Very low | 51.7 | Low | 78 Ų | 78 | 132.6 Ų | 132.6 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | trans | -62.6 | 105.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | A321 T325 | A321-A323 PolarHBondContact O-N 3.41Å; A323-T325 VanDerWaalsContact C-N 3.28Å; A323-T325 PolarHBondContact O-N 2.99Å | ||
| 324 | V | 52.4 | Low | 54 | Low | 130 Ų | 130 | 130.7 Ų | 130.7 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | trans | -54.9 | 101.1 | 163.4 | 176.2 | 0 | 0 | 0 | 0 | 105.6 | I322 Q326 | I322-V324 PolarHBondContact O-N 2.94Å; V324-Q326 PolarHBondContact O-N 2.65Å | ||
| 325 | T | 56.1 | Low | 56.5 | Low | 127 Ų | 127 | 130.6 Ų | 130.6 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | trans | -62.3 | 106.5 | -179.9 | 52.5 | 0 | 0 | 0 | 0 | 107.3 | A323 K327 | A323-T325 VanDerWaalsContact C-N 3.28Å; A323-T325 PolarHBondContact O-N 2.99Å; T325-K327 PolarHBondContact O-N 3.49Å | ||
| 326 | Q | 63.1 | Low | 58.8 | Low | 177 Ų | 177 | 126.9 Ų | 126.9 | 83% | 0.827 | 69% | 0.69 | S | S | * | * | trans | -53.5 | 137.4 | 169.2 | -66.5 | 179.8 | -8 | 0 | 0 | 108.3 | V324 K328 | V324-Q326 PolarHBondContact O-N 2.65Å; Q326-K328 PolarHBondContact O-N 2.65Å | ||
| 327 | K | 64.3 | Low | 61.3 | Low | 210 Ų | 210 | 124.8 Ų | 124.8 | 91% | 0.913 | 68% | 0.678 | S | S | * | * | trans | -57.4 | 113.6 | 178.6 | -72.7 | -177.8 | 179.5 | 178.1 | 0 | 108.5 | T325 T329 | T325-K327 PolarHBondContact O-N 3.49Å; K327-T329 PolarHBondContact O-N 3.16Å | ||
| 328 | K | 62.6 | Low | 63.8 | Low | 108 Ų | 108 | 122.8 Ų | 122.8 | 47% | 0.47 | 66% | 0.662 | S | S | . | * | trans | -55.5 | 137.7 | 176.6 | -66.4 | 177.6 | 176.8 | 177.2 | 0 | 109.4 | Q326 Q332 I333 E336 | Q326-K328 PolarHBondContact O-N 2.65Å; K328-Q332 HydrophobicContact CB-CB 4.28Å; K328-I333 HydrophobicContact CB-CD1 4.38Å; K328-I333 HydrophobicContact CB-CG1 3.82Å; K328-E336 VanDerWaalsContact CD-OE2 3.31Å; K328-E336 WeakPolarHBondContact CD-OE2 3.29Å; K328-E336 IonicContact NZ-OE1 3.75Å; K328-E336 PolarHBondContact NZ-OE1 2.82Å; K328-E336 IonicContact NZ-OE2 2.73Å; K328-E336 PolarHBondContact NZ-OE2 3.47Å | ||
| 329 | T | 74.7 | Confident | 66.4 | Low | 79 Ų | 79 | 122.4 Ų | 122.4 | 49% | 0.485 | 64% | 0.643 | S | S | . | * | trans | -65.2 | 151.7 | 175.1 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | K327 K331 Q332 I333 | K327-T329 PolarHBondContact O-N 3.16Å; T329-K331 PolarHBondContact O-N 3.35Å; T329-Q332 VanDerWaalsContact N-OE1 3.09Å; T329-Q332 WeakPolarHBondContact O-CA 3.38Å; T329-Q332 WeakPolarHBondContact O-CB 3.2Å; T329-Q332 PolarHBondContact O-N 3.3Å; T329-Q332 VanDerWaalsContact OG1-CG 3.27Å; T329-Q332 WeakPolarHBondContact OG1-CG 3.47Å; T329-Q332 PolarHBondContact OG1-OE1 3.43Å; T329-I333 PolarHBondContact O-N 3.41Å | ||
| 330 | E | 73.1 | Confident | 69.1 | Low | 151 Ų | 151 | 120.8 Ų | 120.8 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -54.6 | -32.6 | -179.2 | -67 | -171.1 | 164.9 | 0 | 0 | 113.2 | I333 K334 | E330-I333 PolarHBondContact O-N 3.2Å; E330-K334 WeakPolarHBondContact O-CB 3.31Å; E330-K334 WeakPolarHBondContact O-CG 3.31Å; E330-K334 PolarHBondContact O-N 3.43Å |
| 331 | K | 78 | Confident | 71.6 | Confident | 182 Ų | 182 | 120.9 Ų | 120.9 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.3 | -41.2 | 174.9 | -70 | -175.4 | 179.5 | 179 | 0 | 112.2 | T329 K334 K335 | T329-K331 PolarHBondContact O-N 3.35Å; K331-K334 PolarHBondContact O-N 3.2Å; K331-K335 WeakPolarHBondContact O-CB 3.45Å; K331-K335 PolarHBondContact O-N 3.19Å |
| 332 | Q | 78.3 | Confident | 74.1 | Confident | 108 Ų | 108 | 123.3 Ų | 123.3 | 51% | 0.505 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.4 | -39.5 | 174.9 | -71.6 | 165.1 | -13.6 | 0 | 0 | 111.3 | K328 T329 K335 E336 | K328-Q332 HydrophobicContact CB-CB 4.28Å; T329-Q332 VanDerWaalsContact N-OE1 3.09Å; T329-Q332 WeakPolarHBondContact O-CA 3.38Å; T329-Q332 WeakPolarHBondContact O-CB 3.2Å; T329-Q332 PolarHBondContact O-N 3.3Å; T329-Q332 VanDerWaalsContact OG1-CG 3.27Å; T329-Q332 WeakPolarHBondContact OG1-CG 3.47Å; T329-Q332 PolarHBondContact OG1-OE1 3.43Å; Q332-K335 PolarHBondContact O-N 2.99Å; Q332-E336 VanDerWaalsContact O-CB 3.3Å; Q332-E336 WeakPolarHBondContact O-CB 3.38Å; Q332-E336 PolarHBondContact O-N 3.06Å |
| 333 | I | 76.1 | Confident | 76.3 | Confident | 67 Ų | 67 | 121.1 Ų | 121.1 | 34% | 0.344 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.6 | -41.8 | 175.2 | -62.4 | 171.1 | 0 | 0 | 0 | 111.2 | K328 T329 E330 K337 | K328-I333 HydrophobicContact CB-CD1 4.38Å; K328-I333 HydrophobicContact CB-CG1 3.82Å; T329-I333 PolarHBondContact O-N 3.41Å; E330-I333 PolarHBondContact O-N 3.2Å; I333-K337 HydrophobicContact CG2-CD 4.25Å; I333-K337 WeakPolarHBondContact O-CB 3.42Å; I333-K337 VanDerWaalsContact O-CG 3.27Å; I333-K337 WeakPolarHBondContact O-CG 3.49Å; I333-K337 PolarHBondContact O-N 3.02Å |
| 334 | K | 82.4 | Confident | 78.6 | Confident | 146 Ų | 146 | 122 Ų | 122 | 64% | 0.635 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.1 | -41.2 | 176.2 | -76.1 | 175.4 | -179.6 | 174.1 | 0 | 112 | E330 K331 K337 A338 | E330-K334 WeakPolarHBondContact O-CB 3.31Å; E330-K334 WeakPolarHBondContact O-CG 3.31Å; E330-K334 PolarHBondContact O-N 3.43Å; K331-K334 PolarHBondContact O-N 3.2Å; K334-K337 PolarHBondContact O-N 3.1Å; K334-A338 WeakPolarHBondContact O-CB 3.23Å; K334-A338 PolarHBondContact O-N 3.17Å |
| 335 | K | 86.9 | Confident | 80.5 | Confident | 139 Ų | 139 | 121.9 Ų | 121.9 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.3 | -45.2 | 177 | -169.6 | 178.9 | 176.3 | -173.5 | 0 | 111.8 | K331 Q332 A338 E339 | K331-K335 WeakPolarHBondContact O-CB 3.45Å; K331-K335 PolarHBondContact O-N 3.19Å; Q332-K335 PolarHBondContact O-N 2.99Å; K335-A338 WeakPolarHBondContact O-CB 3.46Å; K335-A338 PolarHBondContact O-N 3.31Å; K335-A338 VanDerWaalsContact O-N 3.15Å; K335-E339 VanDerWaalsContact CE-OE1 3.25Å; K335-E339 WeakPolarHBondContact CE-OE1 3.44Å; K335-E339 WeakPolarHBondContact O-CG 3.44Å; K335-E339 PolarHBondContact O-N 3Å |
| 336 | E | 84.6 | Confident | 82.3 | Confident | 85 Ų | 85 | 124.8 Ų | 124.8 | 40% | 0.397 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.9 | -39.5 | 176.5 | -175.8 | 177.7 | -173.3 | 0 | 0 | 112.1 | K328 Q332 A338 E339 K340 | K328-E336 VanDerWaalsContact CD-OE2 3.31Å; K328-E336 WeakPolarHBondContact CD-OE2 3.29Å; K328-E336 IonicContact NZ-OE1 3.75Å; K328-E336 PolarHBondContact NZ-OE1 2.82Å; K328-E336 IonicContact NZ-OE2 2.73Å; K328-E336 PolarHBondContact NZ-OE2 3.47Å; Q332-E336 VanDerWaalsContact O-CB 3.3Å; Q332-E336 WeakPolarHBondContact O-CB 3.38Å; Q332-E336 PolarHBondContact O-N 3.06Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 3.11Å; E336-E339 PolarHBondContact O-N 2.9Å; E336-K340 VanDerWaalsContact O-CB 3.26Å; E336-K340 WeakPolarHBondContact O-CB 3.27Å; E336-K340 PolarHBondContact O-N 3.46Å |
| 337 | K | 85.4 | Confident | 83.7 | Confident | 135 Ų | 135 | 122 Ų | 122 | 59% | 0.587 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.2 | -41.2 | 171.4 | -78.4 | 178 | 179.4 | -178.5 | 0 | 111.8 | I333 K334 L341 | I333-K337 HydrophobicContact CG2-CD 4.25Å; I333-K337 WeakPolarHBondContact O-CB 3.42Å; I333-K337 VanDerWaalsContact O-CG 3.27Å; I333-K337 WeakPolarHBondContact O-CG 3.49Å; I333-K337 PolarHBondContact O-N 3.02Å; K334-K337 PolarHBondContact O-N 3.1Å; K337-L341 WeakPolarHBondContact O-CB 3.48Å; K337-L341 VanDerWaalsContact O-CG 3.29Å; K337-L341 WeakPolarHBondContact O-CG 3.29Å; K337-L341 PolarHBondContact O-N 3.3Å |
| 338 | A | 87.4 | Confident | 85.1 | Confident | 47 Ų | 47 | 115.6 Ų | 115.6 | 39% | 0.388 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K334 K335 E336 L341 K342 | K334-A338 WeakPolarHBondContact O-CB 3.23Å; K334-A338 PolarHBondContact O-N 3.17Å; K335-A338 WeakPolarHBondContact O-CB 3.46Å; K335-A338 PolarHBondContact O-N 3.31Å; K335-A338 VanDerWaalsContact O-N 3.15Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 3.11Å; A338-L341 PolarHBondContact O-N 3.49Å; A338-K342 WeakPolarHBondContact O-CG 3.46Å; A338-K342 PolarHBondContact O-N 3.01Å |
| 339 | E | 89.2 | Confident | 86.6 | Confident | 93 Ų | 93 | 113.1 Ų | 113.1 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 173.9 | -74.9 | 168.1 | -177.8 | 0 | 0 | 111 | K335 E336 L341 K342 E343 | K335-E339 VanDerWaalsContact CE-OE1 3.25Å; K335-E339 WeakPolarHBondContact CE-OE1 3.44Å; K335-E339 WeakPolarHBondContact O-CG 3.44Å; K335-E339 PolarHBondContact O-N 3Å; E336-E339 PolarHBondContact O-N 2.9Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 2.94Å; E339-K342 WeakPolarHBondContact O-CB 3.4Å; E339-K342 PolarHBondContact O-N 3.17Å; E339-K342 VanDerWaalsContact O-N 3.14Å; E339-E343 WeakPolarHBondContact O-CG 3.37Å; E339-E343 PolarHBondContact O-N 3.17Å |
| 340 | K | 89.4 | Confident | 87.5 | Confident | 129 Ų | 129 | 117 Ų | 117 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61 | -38.9 | 175.2 | -167.9 | 172.9 | -174 | 172.7 | 0 | 112.7 | E336 Q344 | E336-K340 VanDerWaalsContact O-CB 3.26Å; E336-K340 WeakPolarHBondContact O-CB 3.27Å; E336-K340 PolarHBondContact O-N 3.46Å; K340-Q344 WeakPolarHBondContact O-CB 3.23Å; K340-Q344 VanDerWaalsContact O-CG 3.22Å; K340-Q344 WeakPolarHBondContact O-CG 3.24Å; K340-Q344 PolarHBondContact O-N 3.43Å |
| 341 | L | 90.2 | Very high | 88.5 | Confident | 99 Ų | 99 | 117.9 Ų | 117.9 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 174.2 | -76.3 | 169.5 | 0 | 0 | 0 | 112 | K337 A338 E339 Q344 Q345 | K337-L341 WeakPolarHBondContact O-CB 3.48Å; K337-L341 VanDerWaalsContact O-CG 3.29Å; K337-L341 WeakPolarHBondContact O-CG 3.29Å; K337-L341 PolarHBondContact O-N 3.3Å; A338-L341 PolarHBondContact O-N 3.49Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 2.94Å; L341-Q344 PolarHBondContact O-N 3.01Å; L341-Q345 VanDerWaalsContact O-CG 3.3Å; L341-Q345 WeakPolarHBondContact O-CG 3.26Å; L341-Q345 PolarHBondContact O-N 3.22Å |
| 342 | K | 92.4 | Very high | 89.1 | Confident | 137 Ų | 137 | 114.6 Ų | 114.6 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.8 | -40.5 | 174.7 | -76.9 | 178.1 | 179.3 | -179.7 | 0 | 112.1 | A338 E339 Q345 R346 | A338-K342 WeakPolarHBondContact O-CG 3.46Å; A338-K342 PolarHBondContact O-N 3.01Å; E339-K342 WeakPolarHBondContact O-CB 3.4Å; E339-K342 PolarHBondContact O-N 3.17Å; E339-K342 VanDerWaalsContact O-N 3.14Å; K342-Q345 PolarHBondContact O-N 3.04Å; K342-R346 WeakPolarHBondContact O-CG 3.48Å; K342-R346 PolarHBondContact O-N 3.2Å |
| 343 | E | 91.1 | Very high | 89.8 | Confident | 117 Ų | 117 | 112.5 Ų | 112.5 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 174 | -74.9 | 176.1 | 177.7 | 0 | 0 | 111.3 | E339 Q345 R346 L347 | E339-E343 WeakPolarHBondContact O-CG 3.37Å; E339-E343 PolarHBondContact O-N 3.17Å; E343-Q345 VanDerWaalsContact C-N 3.33Å; E343-Q345 PolarHBondContact O-N 2.89Å; E343-R346 PolarHBondContact O-N 3.4Å; E343-L347 WeakPolarHBondContact O-CB 3.48Å; E343-L347 VanDerWaalsContact O-CG 3.29Å; E343-L347 WeakPolarHBondContact O-CG 3.44Å; E343-L347 PolarHBondContact O-N 3.25Å |
| 344 | Q | 92.1 | Very high | 90.4 | Very high | 97 Ų | 97 | 113.1 Ų | 113.1 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 173.8 | -75.8 | 174.6 | 1.7 | 0 | 0 | 111.4 | K340 L341 R346 L347 T348 | K340-Q344 WeakPolarHBondContact O-CB 3.23Å; K340-Q344 VanDerWaalsContact O-CG 3.22Å; K340-Q344 WeakPolarHBondContact O-CG 3.24Å; K340-Q344 PolarHBondContact O-N 3.43Å; L341-Q344 PolarHBondContact O-N 3.01Å; Q344-R346 PolarHBondContact O-N 2.84Å; Q344-L347 PolarHBondContact O-N 2.65Å; Q344-T348 WeakPolarHBondContact O-CG2 3.41Å; Q344-T348 PolarHBondContact O-N 2.91Å; Q344-T348 PolarHBondContact O-OG1 3.36Å |
| 345 | Q | 93.1 | Very high | 90.7 | Very high | 127 Ų | 127 | 111 Ų | 111 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63 | -37.5 | 176 | -73.4 | 173.7 | -3.4 | 0 | 0 | 113.1 | L341 K342 E343 T348 S349 | L341-Q345 VanDerWaalsContact O-CG 3.3Å; L341-Q345 WeakPolarHBondContact O-CG 3.26Å; L341-Q345 PolarHBondContact O-N 3.22Å; K342-Q345 PolarHBondContact O-N 3.04Å; E343-Q345 VanDerWaalsContact C-N 3.33Å; E343-Q345 PolarHBondContact O-N 2.89Å; Q345-T348 WeakPolarHBondContact CA-OG1 3.22Å; Q345-T348 PolarHBondContact O-OG1 3.15Å; Q345-S349 WeakPolarHBondContact O-CB 3.32Å; Q345-S349 PolarHBondContact O-N 3.22Å; Q345-S349 PolarHBondContact O-OG 2.92Å |
| 346 | R | 93.3 | Very high | 90.8 | Very high | 187 Ų | 187 | 110 Ų | 110 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.1 | -40.3 | 173.9 | -76.9 | 178.1 | 174.5 | -176.3 | -2.1 | 112 | K342 E343 Q344 S349 R350 | K342-R346 WeakPolarHBondContact O-CG 3.48Å; K342-R346 PolarHBondContact O-N 3.2Å; E343-R346 PolarHBondContact O-N 3.4Å; Q344-R346 PolarHBondContact O-N 2.84Å; R346-S349 PolarHBondContact O-OG 3.22Å; R346-R350 VanDerWaalsContact O-CB 3.22Å; R346-R350 WeakPolarHBondContact O-CB 3.47Å; R346-R350 PolarHBondContact O-N 3.39Å |
| 347 | L | 93.8 | Very high | 91 | Very high | 118 Ų | 118 | 111.4 Ų | 111.4 | 62% | 0.618 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.3 | -40.1 | 176.4 | -70.3 | 172.2 | 0 | 0 | 0 | 111.2 | E343 Q344 R351 | E343-L347 WeakPolarHBondContact O-CB 3.48Å; E343-L347 VanDerWaalsContact O-CG 3.29Å; E343-L347 WeakPolarHBondContact O-CG 3.44Å; E343-L347 PolarHBondContact O-N 3.25Å; Q344-L347 PolarHBondContact O-N 2.65Å; L347-R351 VanDerWaalsContact O-CB 3.27Å; L347-R351 WeakPolarHBondContact O-CB 3.24Å; L347-R351 PolarHBondContact O-N 3.36Å |
| 348 | T | 93.3 | Very high | 91.1 | Very high | 76 Ų | 76 | 110.3 Ų | 110.3 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.6 | -41.8 | 176.3 | 57.2 | 0 | 0 | 0 | 0 | 112 | Q344 Q345 R351 Q352 | Q344-T348 WeakPolarHBondContact O-CG2 3.41Å; Q344-T348 PolarHBondContact O-N 2.91Å; Q344-T348 PolarHBondContact O-OG1 3.36Å; Q345-T348 WeakPolarHBondContact CA-OG1 3.22Å; Q345-T348 PolarHBondContact O-OG1 3.15Å; T348-R351 PolarHBondContact O-N 2.98Å; T348-Q352 WeakPolarHBondContact O-CG 3.48Å; T348-Q352 PolarHBondContact O-N 3.3Å |
| 349 | S | 94 | Very high | 91.1 | Very high | 57 Ų | 57 | 113.4 Ų | 113.4 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 176.8 | 70.8 | 0 | 0 | 0 | 0 | 111.7 | Q345 R346 R351 Q352 T353 | Q345-S349 WeakPolarHBondContact O-CB 3.32Å; Q345-S349 PolarHBondContact O-N 3.22Å; Q345-S349 PolarHBondContact O-OG 2.92Å; R346-S349 PolarHBondContact O-OG 3.22Å; S349-R351 VanDerWaalsContact C-N 3.31Å; S349-R351 PolarHBondContact O-N 2.83Å; S349-Q352 WeakPolarHBondContact O-CB 3.24Å; S349-Q352 PolarHBondContact O-N 3.08Å; S349-T353 WeakPolarHBondContact O-CG2 3.49Å; S349-T353 PolarHBondContact O-N 3.35Å; S349-T353 PolarHBondContact O-OG1 2.84Å |
| 350 | R | 93.8 | Very high | 91 | Very high | 159 Ų | 159 | 117.4 Ų | 117.4 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60 | -41 | 172.6 | -176.7 | 178.2 | 173.5 | 165.7 | 5.8 | 111.9 | R346 Q352 T353 E354 | R346-R350 VanDerWaalsContact O-CB 3.22Å; R346-R350 WeakPolarHBondContact O-CB 3.47Å; R346-R350 PolarHBondContact O-N 3.39Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; R350-Q352 PolarHBondContact O-N 2.93Å; R350-T353 WeakPolarHBondContact CA-OG1 3.12Å; R350-T353 PolarHBondContact O-N 3.39Å; R350-T353 PolarHBondContact O-OG1 3.21Å; R350-E354 WeakPolarHBondContact CG-OE1 3.31Å; R350-E354 IonicContact CZ-OE1 2.82Å; R350-E354 IonicContact NE-OE1 2.73Å; R350-E354 PolarHBondContact NE-OE1 2.91Å; R350-E354 IonicContact NH2-OE1 2.68Å; R350-E354 WeakPolarHBondContact O-CB 3.4Å; R350-E354 VanDerWaalsContact O-CG 3.26Å; R350-E354 WeakPolarHBondContact O-CG 3.41Å; R350-E354 PolarHBondContact O-N 3.45Å |
| 351 | R | 92.9 | Very high | 91 | Very high | 170 Ų | 170 | 116 Ų | 116 | 64% | 0.642 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | 176.4 | -166.8 | 175.8 | -173.2 | 166.2 | 1.8 | 112 | L347 T348 S349 Q355 | L347-R351 VanDerWaalsContact O-CB 3.27Å; L347-R351 WeakPolarHBondContact O-CB 3.24Å; L347-R351 PolarHBondContact O-N 3.36Å; T348-R351 PolarHBondContact O-N 2.98Å; S349-R351 VanDerWaalsContact C-N 3.31Å; S349-R351 PolarHBondContact O-N 2.83Å; R351-Q355 WeakPolarHBondContact O-CB 3.35Å; R351-Q355 VanDerWaalsContact O-CG 3.23Å; R351-Q355 WeakPolarHBondContact O-CG 3.12Å; R351-Q355 PolarHBondContact O-N 3.39Å |
| 352 | Q | 91.9 | Very high | 90.9 | Very high | 113 Ų | 113 | 116.1 Ų | 116.1 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67 | -42 | 175.4 | -73.7 | 173.9 | -3 | 0 | 0 | 111.8 | T348 S349 R350 Q355 Q356 | T348-Q352 WeakPolarHBondContact O-CG 3.48Å; T348-Q352 PolarHBondContact O-N 3.3Å; S349-Q352 WeakPolarHBondContact O-CB 3.24Å; S349-Q352 PolarHBondContact O-N 3.08Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; R350-Q352 PolarHBondContact O-N 2.93Å; Q352-Q355 PolarHBondContact O-N 2.89Å; Q352-Q356 WeakPolarHBondContact O-CG 3.4Å; Q352-Q356 PolarHBondContact O-N 2.98Å |
| 353 | T | 91.5 | Very high | 90.9 | Very high | 65 Ų | 65 | 120.1 Ų | 120.1 | 40% | 0.399 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.3 | -40.2 | 176.2 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | S349 R350 Q355 Q356 Q357 | S349-T353 WeakPolarHBondContact O-CG2 3.49Å; S349-T353 PolarHBondContact O-N 3.35Å; S349-T353 PolarHBondContact O-OG1 2.84Å; R350-T353 WeakPolarHBondContact CA-OG1 3.12Å; R350-T353 PolarHBondContact O-N 3.39Å; R350-T353 PolarHBondContact O-OG1 3.21Å; T353-Q355 VanDerWaalsContact C-N 3.34Å; T353-Q355 PolarHBondContact O-N 2.88Å; T353-Q356 PolarHBondContact O-N 3.48Å; T353-Q357 VanDerWaalsContact O-CG 3.3Å; T353-Q357 WeakPolarHBondContact O-CG 3.38Å; T353-Q357 PolarHBondContact O-N 3.05Å |
| 354 | E | 90.2 | Very high | 91 | Very high | 79 Ų | 79 | 118 Ų | 118 | 37% | 0.369 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.2 | -41.7 | 172.5 | -75.1 | 170.3 | -172 | 0 | 0 | 111.7 | R350 Q357 Q358 | R350-E354 WeakPolarHBondContact CG-OE1 3.31Å; R350-E354 IonicContact CZ-OE1 2.82Å; R350-E354 IonicContact NE-OE1 2.73Å; R350-E354 PolarHBondContact NE-OE1 2.91Å; R350-E354 IonicContact NH2-OE1 2.68Å; R350-E354 WeakPolarHBondContact O-CB 3.4Å; R350-E354 VanDerWaalsContact O-CG 3.26Å; R350-E354 WeakPolarHBondContact O-CG 3.41Å; R350-E354 PolarHBondContact O-N 3.45Å; E354-Q357 PolarHBondContact O-N 3.35Å; E354-Q358 WeakPolarHBondContact O-CG 3.43Å; E354-Q358 PolarHBondContact O-N 2.96Å |
| 355 | Q | 88.8 | Confident | 91.1 | Very high | 103 Ų | 103 | 116.8 Ų | 116.8 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 174.5 | -76.6 | 172.1 | -7.8 | 0 | 0 | 112.4 | R351 Q352 T353 Q357 Q358 L359 | R351-Q355 WeakPolarHBondContact O-CB 3.35Å; R351-Q355 VanDerWaalsContact O-CG 3.23Å; R351-Q355 WeakPolarHBondContact O-CG 3.12Å; R351-Q355 PolarHBondContact O-N 3.39Å; Q352-Q355 PolarHBondContact O-N 2.89Å; T353-Q355 VanDerWaalsContact C-N 3.34Å; T353-Q355 PolarHBondContact O-N 2.88Å; Q355-Q357 VanDerWaalsContact C-N 3.34Å; Q355-Q358 WeakPolarHBondContact O-CB 3.48Å; Q355-Q358 PolarHBondContact O-N 2.9Å; Q355-L359 PolarHBondContact O-N 2.94Å |
| 356 | Q | 88.4 | Confident | 91.2 | Very high | 116 Ų | 116 | 118.5 Ų | 118.5 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65 | -39.2 | 174.9 | -70.4 | 172.9 | 8.3 | 0 | 0 | 111.5 | Q352 T353 Q358 L359 F360 | Q352-Q356 WeakPolarHBondContact O-CG 3.4Å; Q352-Q356 PolarHBondContact O-N 2.98Å; T353-Q356 PolarHBondContact O-N 3.48Å; Q356-Q358 VanDerWaalsContact C-N 3.32Å; Q356-Q358 PolarHBondContact O-N 3.49Å; Q356-L359 WeakPolarHBondContact O-CB 3.49Å; Q356-L359 PolarHBondContact O-N 3.31Å; Q356-L359 VanDerWaalsContact O-N 3.15Å; Q356-F360 VanDerWaalsContact O-CD2 3.22Å; Q356-F360 WeakPolarHBondContact O-CD2 3.48Å |
| 357 | Q | 88.3 | Confident | 91.3 | Very high | 116 Ų | 116 | 111.8 Ų | 111.8 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 175.4 | -73.5 | 174.9 | 8.5 | 0 | 0 | 112.6 | T353 E354 Q355 L359 F360 Q361 | T353-Q357 VanDerWaalsContact O-CG 3.3Å; T353-Q357 WeakPolarHBondContact O-CG 3.38Å; T353-Q357 PolarHBondContact O-N 3.05Å; E354-Q357 PolarHBondContact O-N 3.35Å; Q355-Q357 VanDerWaalsContact C-N 3.34Å; Q357-L359 VanDerWaalsContact C-N 3.25Å; Q357-L359 PolarHBondContact O-N 3.1Å; Q357-F360 PolarHBondContact O-N 3.34Å; Q357-Q361 PolarHBondContact O-N 2.91Å |
| 358 | Q | 87.1 | Confident | 91.4 | Very high | 112 Ų | 112 | 108.4 Ų | 108.4 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -31.3 | 174.2 | -71.8 | 169.5 | 3.6 | 0 | 0 | 112.7 | E354 Q355 Q356 F360 Q361 L362 | E354-Q358 WeakPolarHBondContact O-CG 3.43Å; E354-Q358 PolarHBondContact O-N 2.96Å; Q355-Q358 WeakPolarHBondContact O-CB 3.48Å; Q355-Q358 PolarHBondContact O-N 2.9Å; Q356-Q358 VanDerWaalsContact C-N 3.32Å; Q356-Q358 PolarHBondContact O-N 3.49Å; Q358-F360 VanDerWaalsContact C-N 3.29Å; Q358-F360 PolarHBondContact O-N 3.27Å; Q358-Q361 WeakPolarHBondContact O-CB 3.27Å; Q358-Q361 PolarHBondContact O-N 3.43Å; Q358-Q361 VanDerWaalsContact O-N 3.1Å; Q358-L362 PolarHBondContact O-N 3.49Å |
| 359 | L | 87.5 | Confident | 91.6 | Very high | 111 Ų | 111 | 108.4 Ų | 108.4 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.1 | -37.9 | 176.3 | -62.5 | 174.5 | 0 | 0 | 0 | 111.8 | Q355 Q356 Q357 Q361 L362 | Q355-L359 PolarHBondContact O-N 2.94Å; Q356-L359 WeakPolarHBondContact O-CB 3.49Å; Q356-L359 PolarHBondContact O-N 3.31Å; Q356-L359 VanDerWaalsContact O-N 3.15Å; Q357-L359 VanDerWaalsContact C-N 3.25Å; Q357-L359 PolarHBondContact O-N 3.1Å; L359-Q361 VanDerWaalsContact C-N 3.26Å; L359-Q361 PolarHBondContact O-N 2.97Å; L359-L362 HydrophobicContact CB-CD1 4.46Å; L359-L362 HydrophobicContact CD2-CD1 3.94Å; L359-L362 VanDerWaalsContact O-CB 3.3Å; L359-L362 WeakPolarHBondContact O-CB 3.41Å; L359-L362 WeakPolarHBondContact O-CD1 3.46Å; L359-L362 VanDerWaalsContact O-CG 3.24Å; L359-L362 WeakPolarHBondContact O-CG 3.37Å; L359-L362 PolarHBondContact O-N 3.12Å |
| 360 | F | 87.6 | Confident | 91.8 | Very high | 177 Ų | 177 | 113.5 Ų | 113.5 | 78% | 0.776 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.6 | -23.6 | 176.9 | -62.9 | -75.9 | 0 | 0 | 0 | 112.8 | Q356 Q357 Q358 L362 | Q356-F360 VanDerWaalsContact O-CD2 3.22Å; Q356-F360 WeakPolarHBondContact O-CD2 3.48Å; Q357-F360 PolarHBondContact O-N 3.34Å; Q358-F360 VanDerWaalsContact C-N 3.29Å; Q358-F360 PolarHBondContact O-N 3.27Å; F360-L362 VanDerWaalsContact C-N 3.31Å |
| 361 | Q | 89.2 | Confident | 91.9 | Very high | 100 Ų | 100 | 111.2 Ų | 111.2 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -79.8 | -10.3 | 174.7 | -60.5 | 179.8 | 12 | 0 | 0 | 113 | Q357 Q358 L359 R363 S364 I365 | Q357-Q361 PolarHBondContact O-N 2.91Å; Q358-Q361 WeakPolarHBondContact O-CB 3.27Å; Q358-Q361 PolarHBondContact O-N 3.43Å; Q358-Q361 VanDerWaalsContact O-N 3.1Å; L359-Q361 VanDerWaalsContact C-N 3.26Å; L359-Q361 PolarHBondContact O-N 2.97Å; Q361-R363 PolarHBondContact O-N 3.47Å; Q361-R363 VanDerWaalsContact O-N 3.14Å; Q361-S364 PolarHBondContact O-N 3.5Å; Q361-S364 VanDerWaalsContact O-N 3.11Å; Q361-S364 PolarHBondContact O-OG 2.9Å; Q361-I365 HydrophobicContact CB-CD1 3.99Å; Q361-I365 HydrophobicContact CB-CG1 4.45Å; Q361-I365 WeakPolarHBondContact O-CB 3.17Å; Q361-I365 VanDerWaalsContact O-CG1 3.27Å; Q361-I365 WeakPolarHBondContact O-CG1 3.41Å; Q361-I365 PolarHBondContact O-N 3.22Å |
| 362 | L | 89.4 | Confident | 92.1 | Very high | 102 Ų | 102 | 109 Ų | 109 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.4 | -34.8 | -178 | -68.7 | 175.2 | 0 | 0 | 0 | 112.8 | Q358 L359 F360 K366 | Q358-L362 PolarHBondContact O-N 3.49Å; L359-L362 HydrophobicContact CB-CD1 4.46Å; L359-L362 HydrophobicContact CD2-CD1 3.94Å; L359-L362 VanDerWaalsContact O-CB 3.3Å; L359-L362 WeakPolarHBondContact O-CB 3.41Å; L359-L362 WeakPolarHBondContact O-CD1 3.46Å; L359-L362 VanDerWaalsContact O-CG 3.24Å; L359-L362 WeakPolarHBondContact O-CG 3.37Å; L359-L362 PolarHBondContact O-N 3.12Å; F360-L362 VanDerWaalsContact C-N 3.31Å; L362-K366 VanDerWaalsContact O-CB 3.24Å; L362-K366 WeakPolarHBondContact O-CB 3.48Å; L362-K366 PolarHBondContact O-N 2.91Å |
| 363 | R | 91.1 | Very high | 92.4 | Very high | 220 Ų | 220 | 108.1 Ų | 108.1 | 83% | 0.83 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69 | -42.2 | 178.4 | -165.4 | 169.2 | 92.8 | 144.6 | 1.9 | 112.2 | Q361 K366 A367 | Q361-R363 PolarHBondContact O-N 3.47Å; Q361-R363 VanDerWaalsContact O-N 3.14Å; R363-K366 PolarHBondContact O-N 3.35Å; R363-A367 WeakPolarHBondContact O-CB 3.34Å; R363-A367 PolarHBondContact O-N 3.5Å |
| 364 | S | 94.3 | Very high | 92.7 | Very high | 73 Ų | 73 | 109.5 Ų | 109.5 | 51% | 0.51 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.9 | -38.4 | 177.6 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | Q361 A367 S368 | Q361-S364 PolarHBondContact O-N 3.5Å; Q361-S364 VanDerWaalsContact O-N 3.11Å; Q361-S364 PolarHBondContact O-OG 2.9Å; S364-A367 PolarHBondContact O-N 3.04Å; S364-S368 WeakPolarHBondContact O-CB 3.42Å; S364-S368 PolarHBondContact O-N 3.39Å |
| 365 | I | 93 | Very high | 93 | Very high | 71 Ų | 71 | 112 Ų | 112 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 173.1 | -66.5 | 166.2 | 0 | 0 | 0 | 110.3 | Q361 A367 S368 I369 | Q361-I365 HydrophobicContact CB-CD1 3.99Å; Q361-I365 HydrophobicContact CB-CG1 4.45Å; Q361-I365 WeakPolarHBondContact O-CB 3.17Å; Q361-I365 VanDerWaalsContact O-CG1 3.27Å; Q361-I365 WeakPolarHBondContact O-CG1 3.41Å; Q361-I365 PolarHBondContact O-N 3.22Å; I365-A367 VanDerWaalsContact C-N 3.34Å; I365-A367 PolarHBondContact O-N 3.22Å; I365-S368 PolarHBondContact O-N 2.78Å; I365-S368 PolarHBondContact O-OG 3.04Å; I365-I369 HydrophobicContact CG2-CD1 3.67Å; I365-I369 HydrophobicContact CG2-CG1 4.31Å; I365-I369 WeakPolarHBondContact O-CB 3.4Å; I365-I369 VanDerWaalsContact O-CG1 3.23Å; I365-I369 WeakPolarHBondContact O-CG1 3.33Å; I365-I369 PolarHBondContact O-N 2.91Å |
| 366 | K | 95.5 | Very high | 93.4 | Very high | 163 Ų | 163 | 110.5 Ų | 110.5 | 71% | 0.709 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -42.1 | 176.8 | -173.7 | 177.5 | -178 | 178.2 | 0 | 111.9 | L362 R363 R370 | L362-K366 VanDerWaalsContact O-CB 3.24Å; L362-K366 WeakPolarHBondContact O-CB 3.48Å; L362-K366 PolarHBondContact O-N 2.91Å; R363-K366 PolarHBondContact O-N 3.35Å; K366-R370 WeakPolarHBondContact O-CB 3.49Å; K366-R370 PolarHBondContact O-N 2.83Å |
| 367 | A | 95.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 110.7 Ų | 110.7 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | R363 S364 I365 R370 Q371 | R363-A367 WeakPolarHBondContact O-CB 3.34Å; R363-A367 PolarHBondContact O-N 3.5Å; S364-A367 PolarHBondContact O-N 3.04Å; I365-A367 VanDerWaalsContact C-N 3.34Å; I365-A367 PolarHBondContact O-N 3.22Å; A367-R370 PolarHBondContact O-N 3.29Å; A367-Q371 WeakPolarHBondContact O-CG 3.25Å; A367-Q371 PolarHBondContact O-N 3.41Å |
| 368 | S | 96.8 | Very high | 94.3 | Very high | 47 Ų | 47 | 107.9 Ų | 107.9 | 33% | 0.329 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 178.2 | 85.5 | 0 | 0 | 0 | 0 | 111.7 | S364 I365 R370 Q371 Q372 | S364-S368 WeakPolarHBondContact O-CB 3.42Å; S364-S368 PolarHBondContact O-N 3.39Å; I365-S368 PolarHBondContact O-N 2.78Å; I365-S368 PolarHBondContact O-OG 3.04Å; S368-R370 PolarHBondContact O-N 2.9Å; S368-Q371 PolarHBondContact O-N 3.05Å; S368-Q372 WeakPolarHBondContact O-CB 3.31Å; S368-Q372 VanDerWaalsContact O-CG 3.28Å; S368-Q372 WeakPolarHBondContact O-CG 3.42Å; S368-Q372 PolarHBondContact O-N 3.14Å |
| 369 | I | 97.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 109.6 Ų | 109.6 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 174 | -69.7 | 167.7 | 0 | 0 | 0 | 109.7 | I365 Q371 Q372 E373 | I365-I369 HydrophobicContact CG2-CD1 3.67Å; I365-I369 HydrophobicContact CG2-CG1 4.31Å; I365-I369 WeakPolarHBondContact O-CB 3.4Å; I365-I369 VanDerWaalsContact O-CG1 3.23Å; I365-I369 WeakPolarHBondContact O-CG1 3.33Å; I365-I369 PolarHBondContact O-N 2.91Å; I369-Q371 PolarHBondContact O-N 2.86Å; I369-Q372 PolarHBondContact O-N 3.4Å; I369-E373 HydrophobicContact CG2-CG 4.34Å; I369-E373 WeakPolarHBondContact O-CB 3.28Å; I369-E373 WeakPolarHBondContact O-CG 3.3Å; I369-E373 PolarHBondContact O-N 3.43Å |
| 370 | R | 97.3 | Very high | 95.2 | Very high | 165 Ų | 165 | 108.8 Ų | 108.8 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.4 | -45.9 | 178.4 | -175.7 | 178.6 | 174.4 | 168.3 | 4.6 | 112.2 | K366 A367 S368 Q372 E373 E374 | K366-R370 WeakPolarHBondContact O-CB 3.49Å; K366-R370 PolarHBondContact O-N 2.83Å; A367-R370 PolarHBondContact O-N 3.29Å; S368-R370 PolarHBondContact O-N 2.9Å; R370-Q372 VanDerWaalsContact C-N 3.34Å; R370-Q372 PolarHBondContact O-N 2.98Å; R370-E373 PolarHBondContact O-N 3.4Å; R370-E374 WeakPolarHBondContact CG-OE1 3.48Å; R370-E374 IonicContact CZ-OE1 3.87Å; R370-E374 IonicContact NE-OE1 3.01Å; R370-E374 PolarHBondContact NE-OE1 2.83Å; R370-E374 IonicContact NH2-OE1 3.86Å; R370-E374 WeakPolarHBondContact O-CB 3.48Å; R370-E374 WeakPolarHBondContact O-CG 3.49Å; R370-E374 PolarHBondContact O-N 3.36Å |
| 371 | Q | 97.2 | Very high | 95.7 | Very high | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 176.5 | -72.3 | 178.7 | 4.7 | 0 | 0 | 112.2 | A367 S368 I369 E374 K375 | A367-Q371 WeakPolarHBondContact O-CG 3.25Å; A367-Q371 PolarHBondContact O-N 3.41Å; S368-Q371 PolarHBondContact O-N 3.05Å; I369-Q371 PolarHBondContact O-N 2.86Å; Q371-E374 PolarHBondContact O-N 3.09Å; Q371-K375 WeakPolarHBondContact O-CB 3.49Å; Q371-K375 VanDerWaalsContact O-CG 3.27Å; Q371-K375 WeakPolarHBondContact O-CG 3.45Å; Q371-K375 PolarHBondContact O-N 3.15Å |
| 372 | Q | 97.1 | Very high | 96.1 | Very high | 124 Ų | 124 | 107.8 Ų | 107.8 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 175.3 | -75.1 | 178.1 | -0.4 | 0 | 0 | 111.4 | S368 I369 R370 K375 T376 | S368-Q372 WeakPolarHBondContact O-CB 3.31Å; S368-Q372 VanDerWaalsContact O-CG 3.28Å; S368-Q372 WeakPolarHBondContact O-CG 3.42Å; S368-Q372 PolarHBondContact O-N 3.14Å; I369-Q372 PolarHBondContact O-N 3.4Å; R370-Q372 VanDerWaalsContact C-N 3.34Å; R370-Q372 PolarHBondContact O-N 2.98Å; Q372-K375 PolarHBondContact O-N 3.47Å; Q372-T376 VanDerWaalsContact O-CB 3.28Å; Q372-T376 WeakPolarHBondContact O-CB 3.27Å; Q372-T376 PolarHBondContact O-N 3.2Å; Q372-T376 PolarHBondContact O-OG1 3.42Å |
| 373 | E | 97.5 | Very high | 96.4 | Very high | 94 Ų | 94 | 111.2 Ų | 111.2 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 175.2 | -75.3 | -178.2 | -171.9 | 0 | 0 | 111.9 | I369 R370 T376 K377 | I369-E373 HydrophobicContact CG2-CG 4.34Å; I369-E373 WeakPolarHBondContact O-CB 3.28Å; I369-E373 WeakPolarHBondContact O-CG 3.3Å; I369-E373 PolarHBondContact O-N 3.43Å; R370-E373 PolarHBondContact O-N 3.4Å; E373-T376 PolarHBondContact O-N 3.27Å; E373-K377 WeakPolarHBondContact O-CB 3.4Å; E373-K377 VanDerWaalsContact O-CG 3.22Å; E373-K377 WeakPolarHBondContact O-CG 3.22Å; E373-K377 PolarHBondContact O-N 2.98Å; E373-K377 IonicContact OE2-NZ 3.86Å |
| 374 | E | 97.4 | Very high | 96.7 | Very high | 94 Ų | 94 | 107.4 Ų | 107.4 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.2 | -75.2 | 171.2 | -171.1 | 0 | 0 | 111.4 | R370 Q371 T376 K377 S378 | R370-E374 WeakPolarHBondContact CG-OE1 3.48Å; R370-E374 IonicContact CZ-OE1 3.87Å; R370-E374 IonicContact NE-OE1 3.01Å; R370-E374 PolarHBondContact NE-OE1 2.83Å; R370-E374 IonicContact NH2-OE1 3.86Å; R370-E374 WeakPolarHBondContact O-CB 3.48Å; R370-E374 WeakPolarHBondContact O-CG 3.49Å; R370-E374 PolarHBondContact O-N 3.36Å; Q371-E374 PolarHBondContact O-N 3.09Å; E374-T376 VanDerWaalsContact C-N 3.31Å; E374-T376 PolarHBondContact O-N 3.29Å; E374-K377 PolarHBondContact O-N 3.18Å; E374-S378 PolarHBondContact O-N 3.19Å; E374-S378 PolarHBondContact O-OG 3Å |
| 375 | K | 97.4 | Very high | 96.8 | Very high | 131 Ų | 131 | 106.4 Ų | 106.4 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62 | -37.2 | 173.6 | -73.4 | 174.5 | -177.1 | 177.4 | 0 | 112.5 | Q371 Q372 S378 K379 | Q371-K375 WeakPolarHBondContact O-CB 3.49Å; Q371-K375 VanDerWaalsContact O-CG 3.27Å; Q371-K375 WeakPolarHBondContact O-CG 3.45Å; Q371-K375 PolarHBondContact O-N 3.15Å; Q372-K375 PolarHBondContact O-N 3.47Å; K375-S378 PolarHBondContact O-OG 3.34Å; K375-K379 WeakPolarHBondContact O-CB 3.34Å; K375-K379 VanDerWaalsContact O-CG 3.29Å; K375-K379 WeakPolarHBondContact O-CG 3.49Å; K375-K379 PolarHBondContact O-N 3.01Å; K375-K379 VanDerWaalsContact O-N 3.13Å |
| 376 | T | 97.2 | Very high | 96.9 | Very high | 72 Ų | 72 | 109.8 Ų | 109.8 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.3 | -42.7 | 178.8 | -58 | 0 | 0 | 0 | 0 | 110.5 | Q372 E373 E374 K379 Q380 | Q372-T376 VanDerWaalsContact O-CB 3.28Å; Q372-T376 WeakPolarHBondContact O-CB 3.27Å; Q372-T376 PolarHBondContact O-N 3.2Å; Q372-T376 PolarHBondContact O-OG1 3.42Å; E373-T376 PolarHBondContact O-N 3.27Å; E374-T376 VanDerWaalsContact C-N 3.31Å; E374-T376 PolarHBondContact O-N 3.29Å; T376-K379 PolarHBondContact O-N 3.44Å; T376-Q380 WeakPolarHBondContact O-CB 3.41Å; T376-Q380 VanDerWaalsContact O-CG 3.29Å; T376-Q380 WeakPolarHBondContact O-CG 3.38Å; T376-Q380 PolarHBondContact O-N 3.43Å |
| 377 | K | 97.6 | Very high | 96.7 | Very high | 121 Ų | 121 | 106.5 Ų | 106.5 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 174.9 | -74.2 | 168.6 | -176.7 | 169.3 | 0 | 111.1 | E373 E374 K379 Q380 M381 | E373-K377 WeakPolarHBondContact O-CB 3.4Å; E373-K377 VanDerWaalsContact O-CG 3.22Å; E373-K377 WeakPolarHBondContact O-CG 3.22Å; E373-K377 PolarHBondContact O-N 2.98Å; E373-K377 IonicContact OE2-NZ 3.86Å; E374-K377 PolarHBondContact O-N 3.18Å; K377-K379 PolarHBondContact O-N 3.35Å; K377-Q380 PolarHBondContact O-N 3.44Å; K377-M381 WeakPolarHBondContact O-CG 3.49Å; K377-M381 PolarHBondContact O-N 3.07Å |
| 378 | S | 97.2 | Very high | 96.5 | Very high | 57 Ų | 57 | 110 Ų | 110 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 178.6 | 68 | 0 | 0 | 0 | 0 | 112.3 | E374 K375 Q380 M381 Q382 | E374-S378 PolarHBondContact O-N 3.19Å; E374-S378 PolarHBondContact O-OG 3Å; K375-S378 PolarHBondContact O-OG 3.34Å; S378-Q380 VanDerWaalsContact C-N 3.35Å; S378-Q380 PolarHBondContact O-N 2.96Å; S378-M381 PolarHBondContact O-N 3.18Å; S378-Q382 WeakPolarHBondContact O-CG 3.49Å; S378-Q382 PolarHBondContact O-N 3.29Å |
| 379 | K | 97 | Very high | 96.3 | Very high | 147 Ų | 147 | 109.8 Ų | 109.8 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -39.1 | 173.8 | -74.5 | 178.1 | -179.2 | -178 | 0 | 112.7 | K375 T376 K377 R383 | K375-K379 WeakPolarHBondContact O-CB 3.34Å; K375-K379 VanDerWaalsContact O-CG 3.29Å; K375-K379 WeakPolarHBondContact O-CG 3.49Å; K375-K379 PolarHBondContact O-N 3.01Å; K375-K379 VanDerWaalsContact O-N 3.13Å; T376-K379 PolarHBondContact O-N 3.44Å; K377-K379 PolarHBondContact O-N 3.35Å; K379-R383 VanDerWaalsContact O-CB 3.31Å; K379-R383 WeakPolarHBondContact O-CB 3.36Å; K379-R383 PolarHBondContact O-N 3.24Å |
| 380 | Q | 97.3 | Very high | 96 | Very high | 95 Ų | 95 | 110.2 Ų | 110.2 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 175.2 | -76.3 | -178.7 | 23 | 0 | 0 | 111.5 | T376 K377 S378 R383 R384 | T376-Q380 WeakPolarHBondContact O-CB 3.41Å; T376-Q380 VanDerWaalsContact O-CG 3.29Å; T376-Q380 WeakPolarHBondContact O-CG 3.38Å; T376-Q380 PolarHBondContact O-N 3.43Å; K377-Q380 PolarHBondContact O-N 3.44Å; S378-Q380 VanDerWaalsContact C-N 3.35Å; S378-Q380 PolarHBondContact O-N 2.96Å; Q380-R383 PolarHBondContact O-N 2.98Å; Q380-R384 WeakPolarHBondContact O-CG 3.25Å; Q380-R384 PolarHBondContact O-N 3.44Å |
| 381 | M | 97.4 | Very high | 95.5 | Very high | 119 Ų | 119 | 107.5 Ų | 107.5 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -46.9 | 176.3 | -69.8 | -59.3 | -69.4 | 0 | 0 | 111.7 | K377 S378 R383 R384 A385 | K377-M381 WeakPolarHBondContact O-CG 3.49Å; K377-M381 PolarHBondContact O-N 3.07Å; S378-M381 PolarHBondContact O-N 3.18Å; M381-R383 VanDerWaalsContact C-N 3.31Å; M381-R383 PolarHBondContact O-N 2.93Å; M381-R384 PolarHBondContact O-N 3.12Å; M381-A385 WeakPolarHBondContact O-CB 3.29Å; M381-A385 PolarHBondContact O-N 3.33Å |
| 382 | Q | 97.2 | Very high | 95.2 | Very high | 137 Ų | 137 | 105.9 Ų | 105.9 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60 | -40.7 | 175.1 | -72 | 177.6 | 0 | 0 | 0 | 112.2 | S378 A385 K386 | S378-Q382 WeakPolarHBondContact O-CG 3.49Å; S378-Q382 PolarHBondContact O-N 3.29Å; Q382-A385 PolarHBondContact O-N 3.01Å; Q382-K386 VanDerWaalsContact O-CB 3.31Å; Q382-K386 WeakPolarHBondContact O-CB 3.17Å; Q382-K386 PolarHBondContact O-N 3.24Å |
| 383 | R | 96.8 | Very high | 94.9 | Very high | 174 Ų | 174 | 105.6 Ų | 105.6 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 176.9 | -175.7 | 178.3 | 177.2 | -179.1 | 1 | 111.7 | K379 Q380 M381 K386 Q387 | K379-R383 VanDerWaalsContact O-CB 3.31Å; K379-R383 WeakPolarHBondContact O-CB 3.36Å; K379-R383 PolarHBondContact O-N 3.24Å; Q380-R383 PolarHBondContact O-N 2.98Å; M381-R383 VanDerWaalsContact C-N 3.31Å; M381-R383 PolarHBondContact O-N 2.93Å; R383-K386 PolarHBondContact O-N 3.15Å; R383-Q387 WeakPolarHBondContact O-CB 3.42Å; R383-Q387 VanDerWaalsContact O-CG 3.27Å; R383-Q387 WeakPolarHBondContact O-CG 3.27Å; R383-Q387 PolarHBondContact O-N 3.33Å |
| 384 | R | 96.3 | Very high | 94.7 | Very high | 139 Ų | 139 | 103.6 Ų | 103.6 | 53% | 0.525 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -50 | 175.9 | -72.5 | 175.3 | -177.3 | -179.4 | 2 | 111 | Q380 M381 K386 Q387 E388 | Q380-R384 WeakPolarHBondContact O-CG 3.25Å; Q380-R384 PolarHBondContact O-N 3.44Å; M381-R384 PolarHBondContact O-N 3.12Å; R384-K386 VanDerWaalsContact C-N 3.3Å; R384-K386 PolarHBondContact O-N 3.32Å; R384-Q387 WeakPolarHBondContact O-CA 3.42Å; R384-Q387 WeakPolarHBondContact O-CB 3.49Å; R384-Q387 PolarHBondContact O-N 3.4Å; R384-E388 WeakPolarHBondContact O-CG 3.37Å; R384-E388 PolarHBondContact O-N 3.12Å |
| 385 | A | 95.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 105.3 Ų | 105.3 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.6 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | M381 Q382 Q387 E388 A389 | M381-A385 WeakPolarHBondContact O-CB 3.29Å; M381-A385 PolarHBondContact O-N 3.33Å; Q382-A385 PolarHBondContact O-N 3.01Å; A385-Q387 PolarHBondContact O-N 3.1Å; A385-E388 PolarHBondContact O-N 2.94Å; A385-A389 WeakPolarHBondContact O-CB 3.23Å; A385-A389 PolarHBondContact O-N 3.22Å |
| 386 | K | 95.6 | Very high | 94.2 | Very high | 141 Ų | 141 | 106.9 Ų | 106.9 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.9 | -37.3 | 175.7 | -167.4 | 179 | -177.7 | 172 | 0 | 112.4 | Q382 R383 R384 Q390 | Q382-K386 VanDerWaalsContact O-CB 3.31Å; Q382-K386 WeakPolarHBondContact O-CB 3.17Å; Q382-K386 PolarHBondContact O-N 3.24Å; R383-K386 PolarHBondContact O-N 3.15Å; R384-K386 VanDerWaalsContact C-N 3.3Å; R384-K386 PolarHBondContact O-N 3.32Å; K386-Q390 WeakPolarHBondContact O-CB 3.3Å; K386-Q390 WeakPolarHBondContact O-CG 3.4Å; K386-Q390 PolarHBondContact O-N 3.28Å |
| 387 | Q | 92 | Very high | 93.9 | Very high | 94 Ų | 94 | 107.5 Ų | 107.5 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 175.2 | -77.7 | 175.9 | -1.4 | 0 | 0 | 111.8 | R383 R384 A385 Q390 K391 | R383-Q387 WeakPolarHBondContact O-CB 3.42Å; R383-Q387 VanDerWaalsContact O-CG 3.27Å; R383-Q387 WeakPolarHBondContact O-CG 3.27Å; R383-Q387 PolarHBondContact O-N 3.33Å; R384-Q387 WeakPolarHBondContact O-CA 3.42Å; R384-Q387 WeakPolarHBondContact O-CB 3.49Å; R384-Q387 PolarHBondContact O-N 3.4Å; A385-Q387 PolarHBondContact O-N 3.1Å; Q387-Q390 PolarHBondContact O-N 3.01Å; Q387-K391 WeakPolarHBondContact O-CG 3.44Å; Q387-K391 PolarHBondContact O-N 3.42Å |
| 388 | E | 91.7 | Very high | 93.6 | Very high | 121 Ų | 121 | 102.7 Ų | 102.7 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.1 | -47.3 | 175.2 | -72 | 167.4 | -175.4 | 0 | 0 | 111.3 | R384 A385 Q390 K391 | R384-E388 WeakPolarHBondContact O-CG 3.37Å; R384-E388 PolarHBondContact O-N 3.12Å; A385-E388 PolarHBondContact O-N 2.94Å; E388-Q390 VanDerWaalsContact C-N 3.29Å; E388-Q390 PolarHBondContact O-N 3.06Å; E388-K391 WeakPolarHBondContact O-CB 3.27Å; E388-K391 PolarHBondContact O-N 2.85Å |
| 389 | A | 91.9 | Very high | 93.4 | Very high | 42 Ų | 42 | 108.7 Ų | 108.7 | 35% | 0.347 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.3 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A385 K391 V392 Q393 | A385-A389 WeakPolarHBondContact O-CB 3.23Å; A385-A389 PolarHBondContact O-N 3.22Å; A389-K391 PolarHBondContact O-N 2.87Å; A389-V392 PolarHBondContact O-N 2.87Å; A389-Q393 WeakPolarHBondContact O-CG 3.14Å; A389-Q393 PolarHBondContact O-N 2.67Å |
| 390 | Q | 90.2 | Very high | 93.3 | Very high | 84 Ų | 84 | 104.4 Ų | 104.4 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -17.6 | 176.2 | -79.8 | 177.1 | 33.6 | 0 | 0 | 114.7 | K386 Q387 E388 | K386-Q390 WeakPolarHBondContact O-CB 3.3Å; K386-Q390 WeakPolarHBondContact O-CG 3.4Å; K386-Q390 PolarHBondContact O-N 3.28Å; Q387-Q390 PolarHBondContact O-N 3.01Å; E388-Q390 VanDerWaalsContact C-N 3.29Å; E388-Q390 PolarHBondContact O-N 3.06Å |
| 391 | K | 88.2 | Confident | 93.2 | Very high | 108 Ų | 108 | 107 Ų | 107 | 47% | 0.47 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -77.4 | -27 | 174.1 | -70.9 | 173.6 | -177.3 | 178.6 | 0 | 112 | V228 Q387 E388 A389 | V228-K391 HydrophobicContact CG2-CB 4.06Å; V228-K391 HydrophobicContact CG2-CD 4.47Å; Q387-K391 WeakPolarHBondContact O-CG 3.44Å; Q387-K391 PolarHBondContact O-N 3.42Å; E388-K391 WeakPolarHBondContact O-CB 3.27Å; E388-K391 PolarHBondContact O-N 2.85Å; A389-K391 PolarHBondContact O-N 2.87Å |
| 392 | V | 89.8 | Confident | 93.1 | Very high | 76 Ų | 76 | 103.1 Ų | 103.1 | 46% | 0.461 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -88.2 | -37.2 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | L229 A389 | L229-V392 WeakPolarHBondContact CD1-O 3.27Å; L229-V392 HydrophobicContact CD2-CG1 3.82Å; A389-V392 PolarHBondContact O-N 2.87Å |
| 393 | Q | 90.9 | Very high | 92.9 | Very high | 119 Ų | 119 | 103.3 Ų | 103.3 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -74.1 | 143.3 | -178 | -69.8 | 177.6 | 2.3 | 0 | 0 | 112.9 | A389 R395 | A389-Q393 WeakPolarHBondContact O-CG 3.14Å; A389-Q393 PolarHBondContact O-N 2.67Å; Q393-R395 PolarHBondContact O-N 2.89Å |
| 394 | P | 92.9 | Very high | 92.7 | Very high | 52 Ų | 52 | 98.5 Ų | 98.5 | 34% | 0.338 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -65 | 134.7 | 174 | 27.3 | -33.4 | 0 | 0 | 0 | 110.6 | F402 K438 | P394-F402 HydrophobicContact CB-CB 4.09Å; P394-F402 HydrophobicContact CB-CD1 3.95Å; P394-F402 HydrophobicContact CB-CG 4.1Å; P394-F402 HydrophobicContact CG-CB 4.38Å; P394-F402 HydrophobicContact CG-CD1 3.67Å; P394-F402 HydrophobicContact CG-CE1 4.34Å; P394-F402 HydrophobicContact CG-CG 4.28Å; P394-K438 HydrophobicContact CB-CG 4.49Å |
| 395 | R | 91.4 | Very high | 92.5 | Very high | 129 Ų | 129 | 95.3 Ų | 95.3 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 150.8 | 179.6 | -65.3 | -178 | 177.9 | -172.8 | 1 | 110.5 | Q393 L397 N440 | Q393-R395 PolarHBondContact O-N 2.89Å; R395-L397 PolarHBondContact O-N 3.29Å; R395-N440 PolarHBondContact N-OD1 3.14Å |
| 396 | R | 92.9 | Very high | 92.3 | Very high | 165 Ų | 165 | 97.3 Ų | 97.3 | 62% | 0.623 | 48% | 0.48 | S | S | * | . | trans | -81.5 | 97.8 | 171.3 | -173.1 | 178.6 | -177.1 | -173 | 3.5 | 109.7 | G398 K399 | R396-G398 VanDerWaalsContact CG-O 3.23Å; R396-G398 WeakPolarHBondContact CG-O 3.46Å; R396-G398 PolarHBondContact NE-O 2.8Å; R396-K399 PolarHBondContact NE-O 3.19Å; R396-K399 PolarHBondContact NH2-O 2.88Å | ||
| 397 | L | 91.7 | Very high | 92.1 | Very high | 85 Ų | 85 | 93.8 Ų | 93.8 | 45% | 0.445 | 47% | 0.468 | S | S | . | . | trans | -81 | -33 | 177.2 | -64.9 | 178.7 | 0 | 0 | 0 | 113 | R395 N440 E443 | R395-L397 PolarHBondContact O-N 3.29Å; L397-N440 HydrophobicContact CD1-CB 4.21Å; L397-E443 HydrophobicContact CB-CB 3.72Å; L397-E443 HydrophobicContact CD1-CB 4.27Å | ||
| 398 | G | 91.6 | Very high | 92 | Very high | 20 Ų | 20 | 93.3 Ų | 93.3 | 21% | 0.206 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -132.7 | -161.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | R396 | R396-G398 VanDerWaalsContact CG-O 3.23Å; R396-G398 WeakPolarHBondContact CG-O 3.46Å; R396-G398 PolarHBondContact NE-O 2.8Å |
| 399 | K | 93.8 | Very high | 92 | Very high | 183 Ų | 183 | 88.7 Ų | 88.7 | 80% | 0.796 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -62.1 | -45.4 | 179.2 | -176.6 | -178.8 | 176.8 | -174.4 | 0 | 111.6 | R396 | R396-K399 PolarHBondContact NE-O 3.19Å; R396-K399 PolarHBondContact NH2-O 2.88Å |
| 400 | L | 94.6 | Very high | 92 | Very high | 56 Ų | 56 | 87.6 Ų | 87.6 | 29% | 0.293 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -79.4 | 142.6 | -177.8 | -59.9 | 176.5 | 0 | 0 | 0 | 111 | P444 E446 | L400-P444 HydrophobicContact CB-CB 4.16Å; L400-E446 HydrophobicContact CD1-CB 4.23Å; L400-E446 HydrophobicContact CD1-CG 3.72Å |
| 401 | K | 95.1 | Very high | 92.1 | Very high | 149 Ų | 149 | 88 Ų | 88 | 65% | 0.648 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 150.9 | 171.6 | -64.8 | -179.6 | -177 | 176.1 | 0 | 108.9 | Q403 | K401-Q403 PolarHBondContact O-N 3.47Š|
| 402 | F | 95.4 | Very high | 92.3 | Very high | 39 Ų | 39 | 86.6 Ų | 86.6 | 17% | 0.171 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 131.3 | 170.2 | 173.7 | -103.6 | 0 | 0 | 0 | 109.2 | P394 A404 K434 Q437 K438 P444 | P394-F402 HydrophobicContact CB-CB 4.09Å; P394-F402 HydrophobicContact CB-CD1 3.95Å; P394-F402 HydrophobicContact CB-CG 4.1Å; P394-F402 HydrophobicContact CG-CB 4.38Å; P394-F402 HydrophobicContact CG-CD1 3.67Å; P394-F402 HydrophobicContact CG-CE1 4.34Å; P394-F402 HydrophobicContact CG-CG 4.28Å; F402-A404 HydrophobicContact CE1-CB 4.2Å; F402-K434 HydrophobicContact CE2-CB 4.44Å; F402-K434 HydrophobicContact CE2-CD 3.95Å; F402-Q437 HydrophobicContact CD2-CB 3.65Å; F402-Q437 HydrophobicContact CE2-CB 3.82Å; F402-K438 HydrophobicContact CE1-CB 4.37Å; F402-K438 HydrophobicContact CE1-CG 4.22Å; F402-K438 HydrophobicContact CE2-CB 4.16Å; F402-K438 HydrophobicContact CZ-CB 3.89Å; F402-K438 HydrophobicContact CZ-CD 4.48Å; F402-K438 HydrophobicContact CZ-CG 4.18Å; F402-P444 HydrophobicContact CB-CG 4.1Å |
| 403 | Q | 93.2 | Very high | 92.4 | Very high | 141 Ų | 141 | 90.6 Ų | 90.6 | 66% | 0.659 | 46% | 0.463 | S | S | * | . | trans | -110.2 | 121.5 | 172.1 | -69.4 | 172.5 | -14.1 | 0 | 0 | 107.2 | K401 K434 | K401-Q403 PolarHBondContact O-N 3.47Å; Q403-K434 PolarHBondContact O-NZ 3.31Å | ||
| 404 | A | 92.2 | Very high | 92.4 | Very high | 72 Ų | 72 | 89.8 Ų | 89.8 | 60% | 0.595 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 140.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | F402 | F402-A404 HydrophobicContact CE1-CB 4.2Š|
| 405 | P | 92.3 | Very high | 92.4 | Very high | 72 Ų | 72 | 90.1 Ų | 90.1 | 47% | 0.468 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 160.5 | 167.7 | 31.5 | -33.4 | 0 | 0 | 0 | 110.1 | K434 | P405-K434 HydrophobicContact CB-CG 4.33Å; P405-K434 HydrophobicContact CG-CB 4.31Å; P405-K434 HydrophobicContact CG-CG 4.27Å |
| 406 | D | 90.8 | Very high | 92.2 | Very high | 95 Ų | 95 | 84.9 Ų | 84.9 | 51% | 0.508 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 154.1 | 172 | -56.2 | -27 | 0 | 0 | 0 | 109.6 | K262 D408 | K262-D406 VanDerWaalsContact NZ-CG 3.34Å; K262-D406 IonicContact NZ-OD1 2.65Å; K262-D406 PolarHBondContact NZ-OD1 3.05Å; K262-D406 IonicContact NZ-OD2 2.65Å; D406-D408 PolarHBondContact O-N 3.48Å |
| 407 | L | 91 | Very high | 91.9 | Very high | 68 Ų | 68 | 80.6 Ų | 80.6 | 36% | 0.356 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 123.8 | 177.5 | -68.3 | 174.3 | 0 | 0 | 0 | 108.9 | E254 A255 V409 | E254-L407 HydrophobicContact CB-CD1 4.39Å; E254-L407 HydrophobicContact CG-CD1 3.94Å; A255-L407 HydrophobicContact CB-CB 4.31Å; A255-L407 HydrophobicContact CB-CD1 4.19Å; L407-V409 HydrophobicContact CB-CG2 3.99Å; L407-V409 PolarHBondContact O-N 3.39Å |
| 408 | D | 90.6 | Very high | 91.8 | Very high | 84 Ų | 84 | 78.9 Ų | 78.9 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | trans | -77.8 | 104.5 | 174.3 | -62.3 | -33.4 | 0 | 0 | 0 | 108.2 | D406 G426 | D406-D408 PolarHBondContact O-N 3.48Å; D408-G426 WeakPolarHBondContact OD2-CA 3.5Å | ||
| 409 | V | 92 | Very high | 91.8 | Very high | 23 Ų | 23 | 84 Ų | 84 | 14% | 0.139 | 47% | 0.466 | C | S | . | . | trans | -140.1 | 132.3 | -175.9 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | L251 L252 A255 L407 | L251-V409 HydrophobicContact CD2-CB 3.95Å; L251-V409 HydrophobicContact CD2-CG1 3.57Å; L251-V409 HydrophobicContact CD2-CG2 3.31Å; L251-V409 HydrophobicContact CG-CG1 4.44Å; L251-V409 HydrophobicContact CG-CG2 3.78Å; L252-V409 HydrophobicContact CD2-CG1 3.54Å; L252-V409 HydrophobicContact CG-CG1 3.98Å; A255-V409 HydrophobicContact CB-CG2 4.28Å; L407-V409 HydrophobicContact CB-CG2 3.99Å; L407-V409 PolarHBondContact O-N 3.39Å | ||
| 410 | Q | 91.8 | Very high | 91.7 | Very high | 20 Ų | 20 | 86.6 Ų | 86.6 | 9% | 0.093 | 47% | 0.471 | C | S | . | . | trans | -76.9 | 137 | 172.2 | -66.1 | -171.6 | -33.8 | 0 | 0 | 111.5 | H248 E414 L415 E425 | H248-Q410 PolarHBondContact NE2-O 2.88Å; Q410-E414 HydrophobicContact CB-CB 4.49Å; Q410-L415 HydrophobicContact CB-CD2 4.15Å; Q410-L415 HydrophobicContact CB-CG 4.49Å; Q410-E425 WeakPolarHBondContact CG-OE1 3.46Å | ||
| 411 | L | 93 | Very high | 91.6 | Very high | 92 Ų | 92 | 90.3 Ų | 90.3 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | trans | -70.7 | 162.2 | 170.4 | -61 | 176.8 | 0 | 0 | 0 | 111.3 | L252 D413 E414 L415 | L252-L411 HydrophobicContact CD2-CD2 4.18Å; L411-D413 PolarHBondContact O-N 2.99Å; L411-E414 HydrophobicContact CB-CB 4.36Å; L411-E414 HydrophobicContact CB-CG 4.1Å; L411-E414 PolarHBondContact N-OE2 2.77Å; L411-E414 PolarHBondContact O-N 2.93Å; L411-L415 PolarHBondContact O-N 2.91Å; L411-L415 VanDerWaalsContact O-N 3.12Å | ||
| 412 | S | 92.3 | Very high | 91.4 | Very high | 79 Ų | 79 | 86 Ų | 86 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -35.5 | 179.3 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | E414 | S412-E414 VanDerWaalsContact C-N 3.33Š|
| 413 | D | 92.1 | Very high | 91.2 | Very high | 160 Ų | 160 | 91.9 Ų | 91.9 | 86% | 0.856 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -18.7 | 178.6 | -58.2 | -28.9 | 0 | 0 | 0 | 113 | L411 | L411-D413 PolarHBondContact O-N 2.99Š|
| 414 | E | 90.8 | Very high | 91 | Very high | 102 Ų | 102 | 90.6 Ų | 90.6 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -12.2 | -175.3 | -64.1 | 175.3 | 156.8 | 0 | 0 | 112.8 | Q410 L411 S412 A416 | Q410-E414 HydrophobicContact CB-CB 4.49Å; L411-E414 HydrophobicContact CB-CB 4.36Å; L411-E414 HydrophobicContact CB-CG 4.1Å; L411-E414 PolarHBondContact N-OE2 2.77Å; L411-E414 PolarHBondContact O-N 2.93Å; S412-E414 VanDerWaalsContact C-N 3.33Å; E414-A416 PolarHBondContact O-N 3.17Å; E414-A416 VanDerWaalsContact O-N 3.12Å |
| 415 | L | 91.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 91.4 Ų | 91.4 | 31% | 0.309 | 49% | 0.491 | S | S | . | . | trans | -59.1 | 114.2 | 174.3 | -79.5 | 173.6 | 0 | 0 | 0 | 110.2 | P243 Q410 L411 | P243-L415 HydrophobicContact CG-CD1 4.45Å; P243-L415 HydrophobicContact CG-CD2 3.94Å; Q410-L415 HydrophobicContact CB-CD2 4.15Å; Q410-L415 HydrophobicContact CB-CG 4.49Å; L411-L415 PolarHBondContact O-N 2.91Å; L411-L415 VanDerWaalsContact O-N 3.12Å | ||
| 416 | A | 87.4 | Confident | 90.6 | Very high | 18 Ų | 18 | 90.4 Ų | 90.4 | 15% | 0.149 | 49% | 0.494 | C | S | . | . | trans | -82.7 | 136.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y241 E414 Q421 | Y241-A416 HydrophobicContact CE2-CB 3.86Å; Y241-A416 WeakPolarHBondContact CE2-O 3.21Å; Y241-A416 PolarHBondContact OH-O 2.88Å; E414-A416 PolarHBondContact O-N 3.17Å; E414-A416 VanDerWaalsContact O-N 3.12Å; A416-Q421 HydrophobicContact CB-CB 4.05Å | ||
| 417 | G | 86.4 | Confident | 90.7 | Very high | 76 Ų | 76 | 88.1 Ų | 88.1 | 78% | 0.784 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -79.3 | -15 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y241 | Y241-G417 PolarHBondContact OH-O 3.15Š|
| 418 | S | 90.6 | Very high | 90.7 | Very high | 49 Ų | 49 | 91.2 Ų | 91.2 | 34% | 0.343 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -131.4 | 147.4 | 168 | -173.3 | 0 | 0 | 0 | 0 | 114.1 | Y241 R420 Q421 L422 | Y241-S418 WeakPolarHBondContact OH-CA 3.41Å; Y241-S418 PolarHBondContact OH-N 2.75Å; S418-R420 PolarHBondContact O-N 3.29Å; S418-R420 VanDerWaalsContact O-N 3.1Å; S418-R420 PolarHBondContact OG-N 3.19Å; S418-Q421 PolarHBondContact O-N 3.49Å; S418-L422 PolarHBondContact O-N 3.47Å |
| 419 | L | 90.9 | Very high | 90.9 | Very high | 126 Ų | 126 | 94 Ų | 94 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.5 | 172.4 | -77.2 | 173.2 | 0 | 0 | 0 | 113.1 | Y241 Q421 L422 | Y241-L419 HydrophobicContact CD1-CD2 3.4Å; Y241-L419 VanDerWaalsContact CD1-CD2 3.4Å; Y241-L419 HydrophobicContact CD1-CG 3.89Å; Y241-L419 HydrophobicContact CD2-CD2 4.16Å; Y241-L419 HydrophobicContact CE1-CD2 3.8Å; Y241-L419 HydrophobicContact CE1-CG 3.77Å; Y241-L419 HydrophobicContact CE2-CD2 4.46Å; Y241-L419 HydrophobicContact CG-CD2 3.63Å; Y241-L419 HydrophobicContact CG-CG 4.49Å; Y241-L419 VanDerWaalsContact CZ-N 3.31Å; Y241-L419 PolarHBondContact OH-N 3.25Å; L419-Q421 VanDerWaalsContact C-N 3.26Å; L419-Q421 PolarHBondContact O-N 2.86Å; L419-L422 PolarHBondContact O-N 3.44Å |
| 420 | R | 92.4 | Very high | 90.9 | Very high | 239 Ų | 239 | 100.2 Ų | 100.2 | 90% | 0.902 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24.3 | 176.4 | -64.1 | -176.6 | -178.6 | -173.6 | 0.9 | 112.9 | S418 | S418-R420 PolarHBondContact O-N 3.29Å; S418-R420 VanDerWaalsContact O-N 3.1Å; S418-R420 PolarHBondContact OG-N 3.19Å |
| 421 | Q | 91.4 | Very high | 91 | Very high | 134 Ų | 134 | 101.7 Ų | 101.7 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -10.5 | 179.4 | -66.3 | 174.4 | -21.3 | 0 | 0 | 112.2 | A416 S418 L419 K423 | A416-Q421 HydrophobicContact CB-CB 4.05Å; S418-Q421 PolarHBondContact O-N 3.49Å; L419-Q421 VanDerWaalsContact C-N 3.26Å; L419-Q421 PolarHBondContact O-N 2.86Å; Q421-K423 PolarHBondContact O-N 3.23Å |
| 422 | L | 91.2 | Very high | 91 | Very high | 59 Ų | 59 | 101.2 Ų | 101.2 | 31% | 0.309 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 123 | 177.5 | 175.6 | 145.1 | 0 | 0 | 0 | 109.7 | Y241 S418 L419 P424 | Y241-L422 HydrophobicContact CD2-CB 3.86Å; Y241-L422 HydrophobicContact CD2-CD1 3.25Å; Y241-L422 HydrophobicContact CD2-CG 4.1Å; Y241-L422 HydrophobicContact CE2-CB 4.08Å; Y241-L422 HydrophobicContact CE2-CD1 4.28Å; Y241-L422 HydrophobicContact CG-CD1 3.7Å; S418-L422 PolarHBondContact O-N 3.47Å; L419-L422 PolarHBondContact O-N 3.44Å; L422-P424 HydrophobicContact CD2-CB 4.43Å |
| 423 | K | 90.9 | Very high | 91.1 | Very high | 161 Ų | 161 | 101.9 Ų | 101.9 | 70% | 0.7 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 120.1 | 167.2 | -66.6 | 178.3 | -175.8 | 169.2 | 0 | 107.4 | Q421 E425 | Q421-K423 PolarHBondContact O-N 3.23Å; K423-E425 PolarHBondContact O-N 2.79Å |
| 424 | P | 90.1 | Very high | 91.2 | Very high | 115 Ų | 115 | 96.4 Ų | 96.4 | 75% | 0.747 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -68 | 131.2 | 177.3 | 27.5 | -33.2 | 0 | 0 | 0 | 109.8 | L422 | L422-P424 HydrophobicContact CD2-CB 4.43Š|
| 425 | E | 87.1 | Confident | 91.4 | Very high | 88 Ų | 88 | 91.9 Ų | 91.9 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | trans | -108.1 | 159 | 179.2 | -68.9 | -179.2 | -179.7 | 0 | 0 | 111.6 | Q410 K423 | Q410-E425 WeakPolarHBondContact CG-OE1 3.46Å; K423-E425 PolarHBondContact O-N 2.79Å | ||
| 426 | G | 89.4 | Confident | 91.5 | Very high | 51 Ų | 51 | 92.7 Ų | 92.7 | 53% | 0.526 | 48% | 0.483 | S | S | . | . | S | Bend | trans | 75.4 | 180 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D408 | D408-G426 WeakPolarHBondContact OD2-CA 3.5Š|
| 427 | S | 91.7 | Very high | 91.9 | Very high | 47 Ų | 47 | 92.3 Ų | 92.3 | 33% | 0.329 | 48% | 0.478 | S | S | . | . | trans | -134.9 | 116.1 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | L429 K430 D431 | S427-L429 PolarHBondContact O-N 3.27Å; S427-K430 WeakPolarHBondContact O-CB 3.44Å; S427-K430 PolarHBondContact O-N 3.06Å; S427-D431 PolarHBondContact O-N 3.05Å | ||
| 428 | I | 91.6 | Very high | 92.2 | Very high | 134 Ų | 134 | 91.4 Ų | 91.4 | 69% | 0.687 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -55.3 | -39.4 | 179.7 | -59.1 | 162.5 | 0 | 0 | 0 | 110.8 | K430 D431 R432 | I428-K430 PolarHBondContact O-N 2.77Å; I428-D431 PolarHBondContact O-N 3.44Å; I428-R432 HydrophobicContact CG2-CG 4.22Å; I428-R432 VanDerWaalsContact O-CG 3.29Å; I428-R432 WeakPolarHBondContact O-CG 3.42Å; I428-R432 PolarHBondContact O-N 3.26Å |
| 429 | L | 93.8 | Very high | 92.4 | Very high | 142 Ų | 142 | 90.6 Ų | 90.6 | 74% | 0.743 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.8 | -41.2 | 178.3 | -66.4 | 179 | 0 | 0 | 0 | 112.1 | S427 F433 | S427-L429 PolarHBondContact O-N 3.27Å; L429-F433 VanDerWaalsContact O-CB 3.22Å; L429-F433 WeakPolarHBondContact O-CB 3.32Å; L429-F433 PolarHBondContact O-N 2.95Å |
| 430 | K | 92.9 | Very high | 92.5 | Very high | 153 Ų | 153 | 85.3 Ų | 85.3 | 67% | 0.665 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.4 | -44.5 | 176.8 | -67.6 | -177.2 | -174.9 | 172.8 | 0 | 110.6 | S427 I428 F433 K434 | S427-K430 WeakPolarHBondContact O-CB 3.44Å; S427-K430 PolarHBondContact O-N 3.06Å; I428-K430 PolarHBondContact O-N 2.77Å; K430-F433 PolarHBondContact O-N 2.89Å; K430-K434 WeakPolarHBondContact O-CB 3.46Å; K430-K434 VanDerWaalsContact O-CG 3.29Å; K430-K434 WeakPolarHBondContact O-CG 3.33Å; K430-K434 PolarHBondContact O-N 2.97Å |
| 431 | D | 93.3 | Very high | 92.5 | Very high | 51 Ų | 51 | 78.2 Ų | 78.2 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.2 | -51.2 | 176.3 | 169.5 | 47.9 | 0 | 0 | 0 | 111.6 | S427 I428 F433 K434 S435 | S427-D431 PolarHBondContact O-N 3.05Å; I428-D431 PolarHBondContact O-N 3.44Å; D431-F433 VanDerWaalsContact C-N 3.32Å; D431-F433 PolarHBondContact O-N 3.33Å; D431-K434 CarbonylContact O-C 3.53Å; D431-K434 PolarHBondContact O-N 3.01Å; D431-K434 VanDerWaalsContact O-N 3.17Å; D431-S435 WeakPolarHBondContact O-CB 3.49Å; D431-S435 PolarHBondContact O-N 3.44Å |
| 432 | R | 93.6 | Very high | 92.7 | Very high | 82 Ų | 82 | 75.2 Ų | 75.2 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 177 | -65.8 | -53.9 | 111.8 | 134.7 | 5.9 | 112.5 | I428 S435 F436 | I428-R432 HydrophobicContact CG2-CG 4.22Å; I428-R432 VanDerWaalsContact O-CG 3.29Å; I428-R432 WeakPolarHBondContact O-CG 3.42Å; I428-R432 PolarHBondContact O-N 3.26Å; R432-S435 WeakPolarHBondContact O-CB 3.49Å; R432-S435 PolarHBondContact O-N 3.18Å; R432-F436 VanDerWaalsContact O-CD2 3.23Å; R432-F436 WeakPolarHBondContact O-CD2 3.34Å; R432-F436 WeakPolarHBondContact O-CG 3.28Å; R432-F436 PolarHBondContact O-N 3.39Å |
| 433 | F | 94.2 | Very high | 92.8 | Very high | 93 Ų | 93 | 75 Ų | 75 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 177 | -177.7 | -113.4 | 0 | 0 | 0 | 111.8 | L429 K430 D431 F436 Q437 | L429-F433 VanDerWaalsContact O-CB 3.22Å; L429-F433 WeakPolarHBondContact O-CB 3.32Å; L429-F433 PolarHBondContact O-N 2.95Å; K430-F433 PolarHBondContact O-N 2.89Å; D431-F433 VanDerWaalsContact C-N 3.32Å; D431-F433 PolarHBondContact O-N 3.33Å; F433-F436 PolarHBondContact O-N 3.22Å; F433-Q437 WeakPolarHBondContact O-CG 3.24Å; F433-Q437 PolarHBondContact O-N 3.02Å |
| 434 | K | 94.2 | Very high | 93.1 | Very high | 45 Ų | 45 | 68 Ų | 68 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 175.3 | -71.3 | -69.4 | -173.1 | 169.8 | 0 | 112.2 | F402 Q403 P405 K430 D431 F436 Q437 K438 | F402-K434 HydrophobicContact CE2-CB 4.44Å; F402-K434 HydrophobicContact CE2-CD 3.95Å; Q403-K434 PolarHBondContact O-NZ 3.31Å; P405-K434 HydrophobicContact CB-CG 4.33Å; P405-K434 HydrophobicContact CG-CB 4.31Å; P405-K434 HydrophobicContact CG-CG 4.27Å; K430-K434 WeakPolarHBondContact O-CB 3.46Å; K430-K434 VanDerWaalsContact O-CG 3.29Å; K430-K434 WeakPolarHBondContact O-CG 3.33Å; K430-K434 PolarHBondContact O-N 2.97Å; D431-K434 CarbonylContact O-C 3.53Å; D431-K434 PolarHBondContact O-N 3.01Å; D431-K434 VanDerWaalsContact O-N 3.17Å; K434-F436 PolarHBondContact O-N 3.26Å; K434-Q437 WeakPolarHBondContact O-CB 3.44Å; K434-Q437 PolarHBondContact O-N 3.1Å; K434-Q437 VanDerWaalsContact O-N 3.17Å; K434-K438 WeakPolarHBondContact O-CB 3.28Å; K434-K438 PolarHBondContact O-N 3.15Å |
| 435 | S | 94.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 70.9 Ų | 70.9 | 5% | 0.049 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 171.1 | 163.1 | 0 | 0 | 0 | 0 | 111.8 | A231 D431 R432 Q437 K438 R439 | A231-S435 PolarHBondContact O-OG 3.4Å; D431-S435 WeakPolarHBondContact O-CB 3.49Å; D431-S435 PolarHBondContact O-N 3.44Å; R432-S435 WeakPolarHBondContact O-CB 3.49Å; R432-S435 PolarHBondContact O-N 3.18Å; S435-Q437 VanDerWaalsContact C-N 3.3Å; S435-Q437 PolarHBondContact O-N 3.34Å; S435-K438 PolarHBondContact O-N 3.37Å; S435-R439 VanDerWaalsContact O-CB 3.27Å; S435-R439 WeakPolarHBondContact O-CB 3.46Å; S435-R439 WeakPolarHBondContact O-CG 3.35Å; S435-R439 PolarHBondContact O-N 3.28Å; S435-R439 PolarHBondContact O-NE 3.01Å; S435-R439 PolarHBondContact OG-NE 3.39Å; S435-R439 PolarHBondContact OG-NH2 3.43Å; S435-R439 VanDerWaalsContact OG-NH2 3.08Å |
| 436 | F | 94.4 | Very high | 93.4 | Very high | 77 Ų | 77 | 73.9 Ų | 73.9 | 34% | 0.338 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 175 | -69.4 | -46.4 | 0 | 0 | 0 | 112.8 | R432 F433 K434 N440 L441 I442 | R432-F436 VanDerWaalsContact O-CD2 3.23Å; R432-F436 WeakPolarHBondContact O-CD2 3.34Å; R432-F436 WeakPolarHBondContact O-CG 3.28Å; R432-F436 PolarHBondContact O-N 3.39Å; F433-F436 PolarHBondContact O-N 3.22Å; K434-F436 PolarHBondContact O-N 3.26Å; F436-N440 PolarHBondContact O-N 2.97Å; F436-L441 HydrophobicContact CD1-CD2 4.03Å; F436-L441 HydrophobicContact CE1-CD2 4.41Å; F436-L441 PolarHBondContact O-N 3.34Å; F436-I442 HydrophobicContact CB-CB 4.32Å; F436-I442 HydrophobicContact CB-CD1 3.87Å; F436-I442 HydrophobicContact CB-CG1 4.11Å; F436-I442 HydrophobicContact CD2-CD1 4.13Å; F436-I442 HydrophobicContact CG-CD1 4.18Å; F436-I442 PolarHBondContact O-N 3.37Å |
| 437 | Q | 94.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 82.8 Ų | 82.8 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.1 | -47.7 | 174.6 | -66.4 | 177.3 | -4.4 | 0 | 0 | 111.9 | F402 F433 K434 S435 R439 N440 I442 | F402-Q437 HydrophobicContact CD2-CB 3.65Å; F402-Q437 HydrophobicContact CE2-CB 3.82Å; F433-Q437 WeakPolarHBondContact O-CG 3.24Å; F433-Q437 PolarHBondContact O-N 3.02Å; K434-Q437 WeakPolarHBondContact O-CB 3.44Å; K434-Q437 PolarHBondContact O-N 3.1Å; K434-Q437 VanDerWaalsContact O-N 3.17Å; S435-Q437 VanDerWaalsContact C-N 3.3Å; S435-Q437 PolarHBondContact O-N 3.34Å; Q437-R439 VanDerWaalsContact C-N 3.25Å; Q437-R439 PolarHBondContact O-N 3.1Å; Q437-N440 PolarHBondContact O-N 3.35Å; Q437-I442 WeakPolarHBondContact CA-O 3.22Å |
| 438 | K | 94.1 | Very high | 93.5 | Very high | 58 Ų | 58 | 85 Ų | 85 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 179.4 | -163.7 | -179.5 | 177.4 | -178.3 | 0 | 111.6 | L229 E233 P394 F402 K434 S435 N440 | L229-K438 HydrophobicContact CD1-CD 3.98Å; L229-K438 HydrophobicContact CD1-CG 3.68Å; E233-K438 VanDerWaalsContact OE1-CD 3.26Å; E233-K438 WeakPolarHBondContact OE1-CD 3.34Å; E233-K438 WeakPolarHBondContact OE1-CE 3.27Å; E233-K438 IonicContact OE1-NZ 3.86Å; E233-K438 PolarHBondContact OE1-NZ 3.13Å; E233-K438 IonicContact OE2-NZ 2.64Å; E233-K438 PolarHBondContact OE2-NZ 2.77Å; P394-K438 HydrophobicContact CB-CG 4.49Å; F402-K438 HydrophobicContact CE1-CB 4.37Å; F402-K438 HydrophobicContact CE1-CG 4.22Å; F402-K438 HydrophobicContact CE2-CB 4.16Å; F402-K438 HydrophobicContact CZ-CB 3.89Å; F402-K438 HydrophobicContact CZ-CD 4.48Å; F402-K438 HydrophobicContact CZ-CG 4.18Å; K434-K438 WeakPolarHBondContact O-CB 3.28Å; K434-K438 PolarHBondContact O-N 3.15Å; S435-K438 PolarHBondContact O-N 3.37Å; K438-N440 PolarHBondContact O-N 3.33Å |
| 439 | R | 93.8 | Very high | 93.6 | Very high | 32 Ų | 32 | 87.2 Ų | 87.2 | 12% | 0.121 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 0.5 | 175.3 | -73.2 | -173.4 | -71.9 | 150.2 | -6.7 | 115.1 | S227 L229 P230 S435 Q437 L441 | S227-R439 WeakPolarHBondContact CB-O 3.44Å; S227-R439 VanDerWaalsContact OG-C 3.31Å; S227-R439 WeakPolarHBondContact OG-CA 3.38Å; S227-R439 WeakPolarHBondContact OG-CB 3.48Å; S227-R439 PolarHBondContact OG-O 3.24Å; L229-R439 HydrophobicContact CB-CG 4.05Å; P230-R439 WeakPolarHBondContact O-CD 3.01Å; S435-R439 VanDerWaalsContact O-CB 3.27Å; S435-R439 WeakPolarHBondContact O-CB 3.46Å; S435-R439 WeakPolarHBondContact O-CG 3.35Å; S435-R439 PolarHBondContact O-N 3.28Å; S435-R439 PolarHBondContact O-NE 3.01Å; S435-R439 PolarHBondContact OG-NE 3.39Å; S435-R439 PolarHBondContact OG-NH2 3.43Å; S435-R439 VanDerWaalsContact OG-NH2 3.08Å; Q437-R439 VanDerWaalsContact C-N 3.25Å; Q437-R439 PolarHBondContact O-N 3.1Å; R439-L441 VanDerWaalsContact C-N 3.27Å; R439-L441 HydrophobicContact CB-CD1 3.65Å; R439-L441 WeakPolarHBondContact O-CD1 3.22Å; R439-L441 PolarHBondContact O-N 2.83Å |
| 440 | N | 93.8 | Very high | 93.3 | Very high | 14 Ų | 14 | 89.1 Ų | 89.1 | 8% | 0.075 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 28.8 | -178.6 | -48.6 | -50.5 | 0 | 0 | 0 | 114 | P226 R395 L397 F436 Q437 K438 | P226-N440 HydrophobicContact CB-CB 4.31Å; R395-N440 PolarHBondContact N-OD1 3.14Å; L397-N440 HydrophobicContact CD1-CB 4.21Å; F436-N440 PolarHBondContact O-N 2.97Å; Q437-N440 PolarHBondContact O-N 3.35Å; K438-N440 PolarHBondContact O-N 3.33Å |
| 441 | L | 92.9 | Very high | 93.2 | Very high | 91 Ų | 91 | 90.2 Ų | 90.2 | 48% | 0.476 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -85.5 | -38.6 | 172.5 | -88 | 73.4 | 0 | 0 | 0 | 111.1 | P226 F436 R439 | P226-L441 HydrophobicContact CG-CD1 3.72Å; P226-L441 HydrophobicContact CG-CG 4.5Å; F436-L441 HydrophobicContact CD1-CD2 4.03Å; F436-L441 HydrophobicContact CE1-CD2 4.41Å; F436-L441 PolarHBondContact O-N 3.34Å; R439-L441 VanDerWaalsContact C-N 3.27Å; R439-L441 HydrophobicContact CB-CD1 3.65Å; R439-L441 WeakPolarHBondContact O-CD1 3.22Å; R439-L441 PolarHBondContact O-N 2.83Å |
| 442 | I | 94.4 | Very high | 93 | Very high | 70 Ų | 70 | 95.5 Ų | 95.5 | 36% | 0.359 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -124.3 | 140.8 | -179.5 | -61.3 | 177.6 | 0 | 0 | 0 | 107.9 | F436 Q437 | F436-I442 HydrophobicContact CB-CB 4.32Å; F436-I442 HydrophobicContact CB-CD1 3.87Å; F436-I442 HydrophobicContact CB-CG1 4.11Å; F436-I442 HydrophobicContact CD2-CD1 4.13Å; F436-I442 HydrophobicContact CG-CD1 4.18Å; F436-I442 PolarHBondContact O-N 3.37Å; Q437-I442 WeakPolarHBondContact CA-O 3.22Å |
| 443 | E | 94 | Very high | 93 | Very high | 55 Ų | 55 | 101.4 Ų | 101.4 | 26% | 0.257 | 46% | 0.455 | S | S | . | . | trans | -79.8 | 147.8 | 173.9 | 60.1 | 172.3 | -160.5 | 0 | 0 | 112.3 | L397 R445 | L397-E443 HydrophobicContact CB-CB 3.72Å; L397-E443 HydrophobicContact CD1-CB 4.27Å; E443-R445 HydrophobicContact CG-CG 3.99Å; E443-R445 PolarHBondContact O-N 2.93Å; E443-R445 IonicContact OE1-CZ 3.93Å; E443-R445 IonicContact OE1-NE 3.01Å; E443-R445 PolarHBondContact OE1-NE 3.36Å; E443-R445 IonicContact OE1-NH2 2.69Å; E443-R445 PolarHBondContact OE1-NH2 3.14Å | ||
| 444 | P | 95.9 | Very high | 93 | Very high | 14 Ų | 14 | 103.5 Ų | 103.5 | 9% | 0.091 | 47% | 0.47 | C | S | . | . | trans | -60.3 | 123.9 | 169.9 | -22.6 | 33.7 | 0 | 0 | 0 | 111.3 | L400 F402 | L400-P444 HydrophobicContact CB-CB 4.16Å; F402-P444 HydrophobicContact CB-CG 4.1Å | ||
| 445 | R | 92.5 | Very high | 93 | Very high | 176 Ų | 176 | 111 Ų | 111 | 66% | 0.664 | 50% | 0.502 | S | S | * | . | trans | -136 | 145.6 | 179.5 | -70.5 | -178.6 | 173.5 | 174.6 | 1.6 | 110.9 | E443 | E443-R445 HydrophobicContact CG-CG 3.99Å; E443-R445 PolarHBondContact O-N 2.93Å; E443-R445 IonicContact OE1-CZ 3.93Å; E443-R445 IonicContact OE1-NE 3.01Å; E443-R445 PolarHBondContact OE1-NE 3.36Å; E443-R445 IonicContact OE1-NH2 2.69Å; E443-R445 PolarHBondContact OE1-NH2 3.14Å | ||
| 446 | E | 91.2 | Very high | 93 | Very high | 150 Ų | 150 | 113.8 Ų | 113.8 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -95 | 151 | 166 | -76 | 167.9 | -157.9 | 0 | 0 | 110.1 | L400 A448 | L400-E446 HydrophobicContact CD1-CB 4.23Å; L400-E446 HydrophobicContact CD1-CG 3.72Å; E446-A448 PolarHBondContact O-N 3Å; E446-A448 VanDerWaalsContact O-N 3.16Å |
| 447 | R | 92.4 | Very high | 93 | Very high | 239 Ų | 239 | 119.3 Ų | 119.3 | 90% | 0.902 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 118.2 | 175.2 | -176.1 | 173.9 | 178.8 | 155 | -1.1 | 109 | K449 | R447-K449 PolarHBondContact O-N 3.32Å; R447-K449 VanDerWaalsContact O-N 3.17Å |
| 448 | A | 91.6 | Very high | 93 | Very high | 94 Ų | 94 | 128.6 Ų | 128.6 | 78% | 0.777 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 119.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | E446 F450 | E446-A448 PolarHBondContact O-N 3Å; E446-A448 VanDerWaalsContact O-N 3.16Å; A448-F450 PolarHBondContact O-N 3.47Å |
| 449 | K | 92.8 | Very high | 93 | Very high | 179 Ų | 179 | 131.7 Ų | 131.7 | 78% | 0.778 | 60% | 0.603 | S | S | * | * | trans | -80.3 | 112.2 | 171.1 | -63.7 | -178.3 | -176.9 | 178.3 | 0 | 107.5 | R447 K451 | R447-K449 PolarHBondContact O-N 3.32Å; R447-K449 VanDerWaalsContact O-N 3.17Å; K449-K451 PolarHBondContact O-N 3.48Å | ||
| 450 | F | 88.8 | Confident | 93 | Very high | 182 Ų | 182 | 137 Ų | 137 | 80% | 0.798 | 63% | 0.629 | S | S | * | * | trans | -71.6 | 93.4 | 176.8 | -172.3 | -99.4 | 0 | 0 | 0 | 109.4 | A448 R452 | A448-F450 PolarHBondContact O-N 3.47Å; F450-R452 HydrophobicContact CE1-CG 3.92Å; F450-R452 HydrophobicContact CZ-CG 4.45Å | ||
| 451 | K | 90.3 | Very high | 93 | Very high | 177 Ų | 177 | 143.8 Ų | 143.8 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | trans | -107.2 | 122.5 | 171.1 | -66.6 | -171.2 | 177.5 | -172 | 0 | 108.2 | K449 | K449-K451 PolarHBondContact O-N 3.48Š| ||
| 452 | R | 89.3 | Confident | 93 | Very high | 161 Ų | 161 | 149.2 Ų | 149.2 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | trans | -67.6 | 134.7 | 174.5 | -68.7 | -178.8 | 173.1 | 146.4 | -3.8 | 108.8 | F450 L454 | F450-R452 HydrophobicContact CE1-CG 3.92Å; F450-R452 HydrophobicContact CZ-CG 4.45Å; R452-L454 VanDerWaalsContact C-N 3.3Å; R452-L454 WeakPolarHBondContact CB-O 3.33Å; R452-L454 PolarHBondContact O-N 2.8Å | ||
| 453 | K | 92.9 | Very high | 92.9 | Very high | 207 Ų | 207 | 148.8 Ų | 148.8 | 90% | 0.9 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -64.5 | -37.3 | 176.8 | -175.3 | 176.9 | 179.1 | -179.1 | 0 | 111.8 | ||
| 454 | L | 94.9 | Very high | 92.7 | Very high | 136 Ų | 136 | 152.9 Ų | 152.9 | 71% | 0.712 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -113.3 | 144.1 | -179.1 | -60.5 | 176.3 | 0 | 0 | 0 | 110.2 | R452 V456 | R452-L454 VanDerWaalsContact C-N 3.3Å; R452-L454 WeakPolarHBondContact CB-O 3.33Å; R452-L454 PolarHBondContact O-N 2.8Å; L454-V456 PolarHBondContact O-N 3.2Å |
| 455 | K | 93.6 | Very high | 92.4 | Very high | 203 Ų | 203 | 158.9 Ų | 158.9 | 88% | 0.883 | 72% | 0.721 | S | S | * | * | trans | -63.1 | 132.2 | 170.8 | -66.5 | -177.8 | 179.1 | 179.6 | 0 | 108.7 | K457 | K455-K457 PolarHBondContact O-N 3.07Š| ||
| 456 | V | 94.5 | Very high | 92.1 | Very high | 66 Ų | 66 | 157.8 Ų | 157.8 | 40% | 0.4 | 72% | 0.723 | S | S | . | * | trans | -72.3 | 121.9 | 172.4 | 174.2 | 0 | 0 | 0 | 0 | 107.8 | L454 Y458 | L454-V456 PolarHBondContact O-N 3.2Å; V456-Y458 HydrophobicContact CB-CE2 4.3Å; V456-Y458 HydrophobicContact CG1-CE1 4.43Å; V456-Y458 HydrophobicContact CG1-CE2 4.18Å; V456-Y458 PolarHBondContact O-N 3.18Å | ||
| 457 | K | 94.6 | Very high | 91.9 | Very high | 192 Ų | 192 | 157.5 Ų | 157.5 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | trans | -79.3 | 111.6 | 171.6 | -66 | -174.7 | 178 | -175.3 | 0 | 107.6 | K455 | K455-K457 PolarHBondContact O-N 3.07Š| ||
| 458 | Y | 93.9 | Very high | 90.7 | Very high | 204 Ų | 204 | 154 Ų | 154 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | -79.9 | 122.6 | 167 | -65.5 | -85.5 | 0 | 0 | 0 | 107.2 | V456 | V456-Y458 HydrophobicContact CB-CE2 4.3Å; V456-Y458 HydrophobicContact CG1-CE1 4.43Å; V456-Y458 HydrophobicContact CG1-CE2 4.18Å; V456-Y458 PolarHBondContact O-N 3.18Å | ||
| 459 | V | 94.5 | Very high | 90.7 | Very high | 124 Ų | 124 | 157 Ų | 157 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | -118.1 | 127.8 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 106.3 | K461 | V459-K461 PolarHBondContact O-N 3.31Š| ||
| 460 | E | 93.9 | Very high | 90.6 | Very high | 143 Ų | 143 | 155.8 Ų | 155.8 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | trans | -60.4 | 131.3 | 171.6 | -69.6 | 174.5 | 176.1 | 0 | 0 | 109.1 | ||||
| 461 | K | 94.3 | Very high | 90.7 | Very high | 156 Ų | 156 | 154.4 Ų | 154.4 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | trans | -66.4 | 140.9 | 176.5 | -60.9 | 177.3 | 178.6 | 177.5 | 0 | 108.2 | V459 A463 F464 K465 | V459-K461 PolarHBondContact O-N 3.31Å; K461-A463 PolarHBondContact O-N 2.72Å; K461-A463 VanDerWaalsContact O-N 3.12Å; K461-F464 HydrophobicContact CB-CD2 4.12Å; K461-F464 HydrophobicContact CD-CE2 4.49Å; K461-F464 PolarHBondContact O-N 2.81Å; K461-K465 PolarHBondContact O-N 2.91Å | ||
| 462 | R | 92.1 | Very high | 90.7 | Very high | 205 Ų | 205 | 153.1 Ų | 153.1 | 77% | 0.774 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -49.6 | -41.9 | -178 | -66.8 | -175.5 | 178.9 | 178.1 | -2.1 | 113.1 | F464 K465 E466 | R462-F464 PolarHBondContact O-N 3.05Å; R462-K465 PolarHBondContact O-N 2.83Å; R462-K465 VanDerWaalsContact O-N 3.1Å; R462-E466 WeakPolarHBondContact O-CG 3.39Å; R462-E466 PolarHBondContact O-N 3Å |
| 463 | A | 92.3 | Very high | 90.8 | Very high | 62 Ų | 62 | 152.6 Ų | 152.6 | 51% | 0.512 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -57 | -31.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K461 I467 | K461-A463 PolarHBondContact O-N 2.72Å; K461-A463 VanDerWaalsContact O-N 3.12Å; A463-I467 WeakPolarHBondContact O-CD1 3.25Å; A463-I467 VanDerWaalsContact O-CG1 3.3Å; A463-I467 WeakPolarHBondContact O-CG1 3.48Å |
| 464 | F | 90.6 | Very high | 90.6 | Very high | 141 Ų | 141 | 148.9 Ų | 148.9 | 62% | 0.618 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -85.7 | -34.6 | 176.4 | -69.7 | -84.1 | 0 | 0 | 0 | 111.8 | K461 R462 E466 I467 T468 | K461-F464 HydrophobicContact CB-CD2 4.12Å; K461-F464 HydrophobicContact CD-CE2 4.49Å; K461-F464 PolarHBondContact O-N 2.81Å; R462-F464 PolarHBondContact O-N 3.05Å; F464-E466 PolarHBondContact O-N 2.91Å; F464-I467 PolarHBondContact O-N 3.07Å; F464-T468 PolarHBondContact O-OG1 2.89Å |
| 465 | K | 90.4 | Very high | 90.3 | Very high | 140 Ų | 140 | 149.9 Ų | 149.9 | 61% | 0.609 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -65.3 | -24.9 | 175.8 | -169.5 | 177.7 | -179.4 | -177.5 | 0 | 113.2 | K461 R462 T468 | K461-K465 PolarHBondContact O-N 2.91Å; R462-K465 PolarHBondContact O-N 2.83Å; R462-K465 VanDerWaalsContact O-N 3.1Å; K465-T468 VanDerWaalsContact O-OXT 3.05Å |
| 466 | E | 85.6 | Confident | 90.1 | Very high | 152 Ų | 152 | 145.8 Ų | 145.8 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -11.8 | 178.7 | -72.3 | 168.1 | -165.9 | 0 | 0 | 113.2 | R462 F464 | R462-E466 WeakPolarHBondContact O-CG 3.39Å; R462-E466 PolarHBondContact O-N 3Å; F464-E466 PolarHBondContact O-N 2.91Å |
| 467 | I | 87.3 | Confident | 89.7 | Confident | 144 Ų | 144 | 152.4 Ų | 152.4 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -34.1 | -177.2 | -65.3 | 169.1 | 0 | 0 | 0 | 112 | A463 F464 | A463-I467 WeakPolarHBondContact O-CD1 3.25Å; A463-I467 VanDerWaalsContact O-CG1 3.3Å; A463-I467 WeakPolarHBondContact O-CG1 3.48Å; F464-I467 PolarHBondContact O-N 3.07Å |
| 468 | T | 66.9 | Low | 89.3 | Confident | 166 Ų | 166 | 148.8 Ų | 148.8 | 100% | 1.018 | 72% | 0.716 | S | S | * | * | trans | -89.7 | 0 | 168.4 | 39.3 | 0 | 0 | 0 | 0 | 110.9 | F464 K465 | F464-T468 PolarHBondContact O-OG1 2.89Å; K465-T468 VanDerWaalsContact O-OXT 3.05Å |
Retrieved 468 of 468 residues in 132.9 ms
(Link to these results)