| 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 | 31.2 | Very low | 44.1 | Very low | 233 Ų | 233 | 143.8 Ų | 143.8 | 100% | 1.148 | 84% | 0.839 | S | S | * | * | 0 | 137 | 0 | -69.6 | -71.5 | -84.8 | 0 | 0 | 107.6 | |||||
| 2 | P | 44 | Very low | 44.1 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 71% | 0.708 | 83% | 0.826 | S | S | * | * | -102.3 | 142.4 | -73.3 | 16.2 | 4.8 | 0 | 0 | 0 | 111.6 | |||||
| 3 | T | 46.5 | Very low | 44.3 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | 36.2 | 101 | 100.6 | 52.4 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 4 | E | 49.6 | Very low | 43.9 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -121 | 97.7 | 146.8 | -66.4 | -155.8 | 140.1 | 0 | 0 | 108.8 | ||||
| 5 | T | 46.8 | Very low | 43.7 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -81.3 | 123.4 | 169.5 | 46.7 | 0 | 0 | 0 | 0 | 108.8 | P7 | T5-P7 WeakPolarHBondContact O-CD 3.37Š| ||
| 6 | L | 45.1 | Very low | 44 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -66.1 | 136.6 | 161.7 | -64.9 | 172.8 | 0 | 0 | 0 | 109.7 | ||||
| 7 | P | 42.5 | Very low | 44.1 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -122.5 | 121.5 | 143.5 | 15.9 | 4.4 | 0 | 0 | 0 | 109.9 | T5 G9 | T5-P7 WeakPolarHBondContact O-CD 3.37Å; P7-G9 PolarHBondContact O-N 2.95Å | ||
| 8 | T | 48.8 | Very low | 44.1 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -50.2 | 97.4 | 157.2 | 43.6 | 0 | 0 | 0 | 0 | 110 | S10 | T8-S10 PolarHBondContact O-N 3.36Š| ||
| 9 | G | 37.8 | Very low | 44.6 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -87 | 93.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P7 M11 | P7-G9 PolarHBondContact O-N 2.95Å; G9-M11 PolarHBondContact O-N 3.39Å | ||
| 10 | S | 43.5 | Very low | 44.3 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -36 | 125.2 | 169.5 | -175.1 | 0 | 0 | 0 | 0 | 113 | T8 V12 | T8-S10 PolarHBondContact O-N 3.36Å; S10-V12 VanDerWaalsContact C-N 3.33Å; S10-V12 PolarHBondContact O-N 2.9Å; S10-V12 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 11 | M | 49.4 | Very low | 44.5 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -62.3 | 90.7 | 168.5 | -171.8 | 179.2 | 74.7 | 0 | 0 | 109.2 | G9 | G9-M11 PolarHBondContact O-N 3.39Š| ||
| 12 | V | 44.6 | Very low | 45.4 | Very low | 114 Ų | 114 | 127 Ų | 127 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | -131.2 | 84.7 | 165.9 | -161.3 | 0 | 0 | 0 | 0 | 108.6 | S10 | S10-V12 VanDerWaalsContact C-N 3.33Å; S10-V12 PolarHBondContact O-N 2.9Å; S10-V12 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 13 | K | 46.1 | Very low | 46.1 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -56 | 125.3 | 160.5 | -164.5 | 170 | -173.9 | 171.5 | 0 | 106.7 | V15 | K13-V15 VanDerWaalsContact C-N 3.34Å; K13-V15 PolarHBondContact O-N 3.47Å | ||
| 14 | P | 38.3 | Very low | 46.4 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | trans | -64.9 | 103 | 170.2 | 25.6 | -30.5 | 0 | 0 | 0 | 107 | S16 | P14-S16 PolarHBondContact O-N 2.84Š| ||
| 15 | V | 41.5 | Very low | 46.6 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -59.2 | 97.9 | 156.9 | 148.2 | 0 | 0 | 0 | 0 | 104.9 | K13 | K13-V15 VanDerWaalsContact C-N 3.34Å; K13-V15 PolarHBondContact O-N 3.47Å | ||
| 16 | S | 48.6 | Very low | 47.2 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | -50.6 | 122.4 | 161.2 | 37.3 | 0 | 0 | 0 | 0 | 106.8 | P14 A18 | P14-S16 PolarHBondContact O-N 2.84Å; S16-A18 PolarHBondContact O-N 3.22Å | ||
| 17 | P | 45.7 | Very low | 47.8 | Very low | 113 Ų | 113 | 118.2 Ų | 118.2 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -60.5 | 119 | 176 | 24.4 | -31 | 0 | 0 | 0 | 106.5 | V19 | P17-V19 PolarHBondContact O-N 3.31Š| ||
| 18 | A | 44.3 | Very low | 48.8 | Very low | 84 Ų | 84 | 118.8 Ų | 118.8 | 69% | 0.694 | 72% | 0.717 | S | S | * | * | trans | -44 | 120.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107 | S16 T20 | S16-A18 PolarHBondContact O-N 3.22Å; A18-T20 PolarHBondContact O-N 3.43Å; A18-T20 PolarHBondContact O-OG1 3.31Å | ||
| 19 | V | 52.5 | Low | 49.7 | Very low | 113 Ų | 113 | 116 Ų | 116 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | trans | -68.4 | 88.6 | 172.4 | 174.9 | 0 | 0 | 0 | 0 | 105.2 | P17 F21 | P17-V19 PolarHBondContact O-N 3.31Å; V19-F21 VanDerWaalsContact C-N 3.34Å; V19-F21 HydrophobicContact CG1-CD2 4.18Å; V19-F21 HydrophobicContact CG1-CE2 4Å; V19-F21 HydrophobicContact CG1-CZ 4.33Å; V19-F21 WeakPolarHBondContact O-CD2 3.48Å; V19-F21 PolarHBondContact O-N 3.43Å | ||
| 20 | T | 39.4 | Very low | 51.2 | Low | 104 Ų | 104 | 119.5 Ų | 119.5 | 64% | 0.638 | 70% | 0.696 | S | S | * | * | trans | -63.3 | 103 | 168.2 | -36.7 | 0 | 0 | 0 | 0 | 105.3 | A18 T22 | A18-T20 PolarHBondContact O-N 3.43Å; A18-T20 PolarHBondContact O-OG1 3.31Å; T20-T22 HydrophobicContact CG2-CG2 3.55Å; T20-T22 PolarHBondContact O-N 3.39Å | ||
| 21 | F | 49.4 | Very low | 52.6 | Low | 189 Ų | 189 | 121.4 Ų | 121.4 | 83% | 0.829 | 70% | 0.699 | S | S | * | * | trans | -66.2 | 75.2 | 165.2 | -77.9 | -88.3 | 0 | 0 | 0 | 108.1 | V19 S23 | V19-F21 VanDerWaalsContact C-N 3.34Å; V19-F21 HydrophobicContact CG1-CD2 4.18Å; V19-F21 HydrophobicContact CG1-CE2 4Å; V19-F21 HydrophobicContact CG1-CZ 4.33Å; V19-F21 WeakPolarHBondContact O-CD2 3.48Å; V19-F21 PolarHBondContact O-N 3.43Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 2.98Å | ||
| 22 | T | 48.3 | Very low | 53.9 | Low | 78 Ų | 78 | 116 Ų | 116 | 48% | 0.479 | 67% | 0.67 | S | S | . | * | trans | -87.3 | 75.2 | 166.7 | 49.4 | 0 | 0 | 0 | 0 | 108.4 | T20 A24 | T20-T22 HydrophobicContact CG2-CG2 3.55Å; T20-T22 PolarHBondContact O-N 3.39Å; T22-A24 PolarHBondContact O-N 3.16Å | ||
| 23 | S | 58.8 | Low | 55.7 | Low | 118 Ų | 118 | 112.5 Ų | 112.5 | 83% | 0.825 | 66% | 0.657 | S | S | * | * | trans | -78.1 | 86.4 | 161.3 | 168.2 | 0 | 0 | 0 | 0 | 108.1 | F21 | F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 2.98Å | ||
| 24 | A | 52.9 | Low | 57.2 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 75% | 0.752 | 65% | 0.653 | S | S | * | * | trans | -178.6 | 55.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113 | T22 | T22-A24 PolarHBondContact O-N 3.16Š| ||
| 25 | V | 55.3 | Low | 59 | Low | 91 Ų | 91 | 107.6 Ų | 107.6 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | trans | -150 | 119.5 | 156.6 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | L27 R28 | V25-L27 PolarHBondContact O-N 3.36Å; V25-L27 VanDerWaalsContact O-N 3.08Å; V25-R28 HydrophobicContact CB-CG 4.25Å | ||
| 26 | P | 57.8 | Low | 60.5 | Low | 123 Ų | 123 | 105.3 Ų | 105.3 | 80% | 0.799 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -0.5 | -169.2 | 26.5 | -32.9 | 0 | 0 | 0 | 115.8 | ||
| 27 | L | 58.1 | Low | 61.8 | Low | 121 Ų | 121 | 106.4 Ų | 106.4 | 63% | 0.634 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -3.5 | -171.3 | -60.5 | 177.3 | 0 | 0 | 0 | 115 | V25 I29 L30 | V25-L27 PolarHBondContact O-N 3.36Å; V25-L27 VanDerWaalsContact O-N 3.08Å; L27-I29 PolarHBondContact O-N 3.49Å; L27-I29 VanDerWaalsContact O-N 3.12Å; L27-L30 PolarHBondContact O-N 3.03Å |
| 28 | R | 63.5 | Low | 63.1 | Low | 124 Ų | 124 | 109.1 Ų | 109.1 | 47% | 0.468 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.2 | -8.7 | -173.3 | -57.9 | -162.9 | -46.9 | 146.5 | 2.7 | 113.9 | V25 K32 | V25-R28 HydrophobicContact CB-CG 4.25Å; R28-K32 WeakPolarHBondContact O-CD 3.36Å; R28-K32 WeakPolarHBondContact O-CE 3.41Å; R28-K32 PolarHBondContact O-NZ 3.21Å |
| 29 | I | 67.9 | Low | 64.1 | Low | 90 Ų | 90 | 113.4 Ų | 113.4 | 46% | 0.462 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -26.1 | -178.2 | -58.8 | 170.4 | 0 | 0 | 0 | 111.6 | L27 N31 K32 F37 | L27-I29 PolarHBondContact O-N 3.49Å; L27-I29 VanDerWaalsContact O-N 3.12Å; I29-N31 VanDerWaalsContact C-N 3.33Å; I29-N31 PolarHBondContact O-N 2.99Å; I29-K32 WeakPolarHBondContact O-CB 3.43Å; I29-K32 PolarHBondContact O-N 3.45Å; I29-F37 HydrophobicContact CG2-CE1 4.11Å; I29-F37 HydrophobicContact CG2-CE2 4.26Å; I29-F37 HydrophobicContact CG2-CZ 3.43Å; I29-F37 VanDerWaalsContact CG2-CZ 3.43Å |
| 30 | L | 69.5 | Low | 64.5 | Low | 146 Ų | 146 | 115.1 Ų | 115.1 | 76% | 0.764 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -31.9 | -175.4 | -70.9 | 170.9 | 0 | 0 | 0 | 113.8 | L27 K32 | L27-L30 PolarHBondContact O-N 3.03Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 3.45Å |
| 31 | N | 73.1 | Confident | 65.6 | Low | 141 Ų | 141 | 114.1 Ų | 114.1 | 75% | 0.754 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 9 | 180 | -63.3 | -21.2 | 0 | 0 | 0 | 113 | I29 | I29-N31 VanDerWaalsContact C-N 3.33Å; I29-N31 PolarHBondContact O-N 2.99Å |
| 32 | K | 76.7 | Confident | 66.4 | Low | 71 Ų | 71 | 110.9 Ų | 110.9 | 31% | 0.309 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -111.3 | 104.5 | -171.9 | -86 | 46.3 | 159 | -155.7 | 0 | 104.8 | R28 I29 L30 Y36 | R28-K32 WeakPolarHBondContact O-CD 3.36Å; R28-K32 WeakPolarHBondContact O-CE 3.41Å; R28-K32 PolarHBondContact O-NZ 3.21Å; I29-K32 WeakPolarHBondContact O-CB 3.43Å; I29-K32 PolarHBondContact O-N 3.45Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 3.45Å; K32-Y36 HydrophobicContact CB-CD1 4.05Å; K32-Y36 HydrophobicContact CB-CD2 3.86Å; K32-Y36 HydrophobicContact CB-CG 3.57Å; K32-Y36 HydrophobicContact CG-CD1 4.47Å; K32-Y36 HydrophobicContact CG-CD2 3.55Å; K32-Y36 HydrophobicContact CG-CE2 3.96Å; K32-Y36 HydrophobicContact CG-CG 3.84Å |
| 33 | G | 82.1 | Confident | 67 | Low | 41 Ų | 41 | 112.5 Ų | 112.5 | 42% | 0.423 | 61% | 0.606 | S | S | . | * | trans | -56.4 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D35 Y36 | G33-D35 PolarHBondContact O-N 3.41Å; G33-Y36 WeakPolarHBondContact O-CB 3.47Å; G33-Y36 PolarHBondContact O-N 3.4Å | ||
| 34 | P | 77.1 | Confident | 67.2 | Low | 108 Ų | 108 | 110.8 Ų | 110.8 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -25.1 | -174.7 | 18.5 | -30.8 | 0 | 0 | 0 | 114.2 | Y36 F37 | P34-Y36 VanDerWaalsContact C-N 3.25Å; P34-Y36 PolarHBondContact O-N 3.01Å; P34-F37 PolarHBondContact O-N 3.34Å |
| 35 | D | 76.1 | Confident | 67.8 | Low | 87 Ų | 87 | 112.7 Ų | 112.7 | 47% | 0.465 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.4 | -23.5 | 175.8 | -57.1 | -54.7 | 0 | 0 | 0 | 114.6 | G33 F37 R38 R39 | G33-D35 PolarHBondContact O-N 3.41Å; D35-F37 VanDerWaalsContact C-N 3.33Å; D35-F37 PolarHBondContact O-N 2.93Å; D35-R38 PolarHBondContact O-N 2.96Å; D35-R39 PolarHBondContact O-N 2.92Å |
| 36 | Y | 74.4 | Confident | 68.2 | Low | 81 Ų | 81 | 117.3 Ų | 117.3 | 32% | 0.318 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.4 | -37.9 | 178.9 | 179 | -97 | 0 | 0 | 0 | 112.3 | K32 G33 P34 | K32-Y36 HydrophobicContact CB-CD1 4.05Å; K32-Y36 HydrophobicContact CB-CD2 3.86Å; K32-Y36 HydrophobicContact CB-CG 3.57Å; K32-Y36 HydrophobicContact CG-CD1 4.47Å; K32-Y36 HydrophobicContact CG-CD2 3.55Å; K32-Y36 HydrophobicContact CG-CE2 3.96Å; K32-Y36 HydrophobicContact CG-CG 3.84Å; G33-Y36 WeakPolarHBondContact O-CB 3.47Å; G33-Y36 PolarHBondContact O-N 3.4Å; P34-Y36 VanDerWaalsContact C-N 3.25Å; P34-Y36 PolarHBondContact O-N 3.01Å |
| 37 | F | 74.6 | Confident | 69 | Low | 121 Ų | 121 | 120 Ų | 120 | 53% | 0.531 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.4 | -36.5 | 175.9 | -61.3 | -82.1 | 0 | 0 | 0 | 111.3 | I29 P34 D35 R39 Q40 A41 | I29-F37 HydrophobicContact CG2-CE1 4.11Å; I29-F37 HydrophobicContact CG2-CE2 4.26Å; I29-F37 HydrophobicContact CG2-CZ 3.43Å; I29-F37 VanDerWaalsContact CG2-CZ 3.43Å; P34-F37 PolarHBondContact O-N 3.34Å; D35-F37 VanDerWaalsContact C-N 3.33Å; D35-F37 PolarHBondContact O-N 2.93Å; F37-R39 PolarHBondContact O-N 3.38Å; F37-Q40 PolarHBondContact O-N 2.94Å; F37-A41 PolarHBondContact O-N 3.36Å |
| 38 | R | 73.1 | Confident | 69.8 | Low | 169 Ų | 169 | 118.2 Ų | 118.2 | 64% | 0.638 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.5 | -42.7 | 176 | -165.2 | 178.4 | -64.9 | -172.5 | 1.1 | 111.7 | D35 Q40 A41 E42 | D35-R38 PolarHBondContact O-N 2.96Å; R38-Q40 PolarHBondContact O-N 3.06Å; R38-A41 PolarHBondContact O-N 2.97Å; R38-E42 WeakPolarHBondContact O-CG 3.4Å; R38-E42 PolarHBondContact O-N 3.27Å |
| 39 | R | 65.6 | Low | 70.7 | Confident | 175 Ų | 175 | 115.4 Ų | 115.4 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.2 | -19.7 | 176.4 | -77.6 | -168.4 | -75.1 | -113.1 | -1.4 | 114.9 | D35 F37 | D35-R39 PolarHBondContact O-N 2.92Å; F37-R39 PolarHBondContact O-N 3.38Å |
| 40 | Q | 61.1 | Low | 71.5 | Confident | 149 Ų | 149 | 114.4 Ų | 114.4 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -85.7 | -26.4 | 172.5 | -69.7 | -68.4 | -44.9 | 0 | 0 | 112.3 | F37 R38 | F37-Q40 PolarHBondContact O-N 2.94Å; R38-Q40 PolarHBondContact O-N 3.06Å |
| 41 | A | 63 | Low | 72.2 | Confident | 82 Ų | 82 | 111.9 Ų | 111.9 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -80.4 | -24.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F37 R38 | F37-A41 PolarHBondContact O-N 3.36Å; R38-A41 PolarHBondContact O-N 2.97Å |
| 42 | E | 66.3 | Low | 72.8 | Confident | 121 Ų | 121 | 109.7 Ų | 109.7 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -64.7 | 124.7 | 170.9 | -75 | -63 | 147.8 | 0 | 0 | 110 | R38 N44 | R38-E42 WeakPolarHBondContact O-CG 3.4Å; R38-E42 PolarHBondContact O-N 3.27Å; E42-N44 PolarHBondContact O-N 3.35Å |
| 43 | P | 60.7 | Low | 73.4 | Confident | 112 Ų | 112 | 112.2 Ų | 112.2 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | trans | -58.1 | 114.9 | 177.8 | 20.8 | -28.6 | 0 | 0 | 0 | 108.8 | P45 | P43-P45 WeakPolarHBondContact O-CD 3.35Å; P43-P45 VanDerWaalsContact O-N 3.12Å | ||
| 44 | N | 63.3 | Low | 73.5 | Confident | 83 Ų | 83 | 116.4 Ų | 116.4 | 44% | 0.444 | 59% | 0.589 | S | S | . | * | trans | -60.1 | 118.8 | -179.9 | -175.9 | -37.3 | 0 | 0 | 0 | 108.3 | E42 K46 R47 | E42-N44 PolarHBondContact O-N 3.35Å; N44-K46 PolarHBondContact O-N 3.3Å; N44-K46 WeakPolarHBondContact OD1-CB 3.47Å; N44-K46 PolarHBondContact OD1-N 2.98Å; N44-R47 HydrophobicContact CB-CB 4.26Å; N44-R47 HydrophobicContact CB-CG 4.16Å; N44-R47 PolarHBondContact O-N 3.39Å | ||
| 45 | P | 63.7 | Low | 73.9 | Confident | 130 Ų | 130 | 115.2 Ų | 115.2 | 84% | 0.844 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -9 | -174.7 | 25.8 | -35 | 0 | 0 | 0 | 113.2 | P43 | P43-P45 WeakPolarHBondContact O-CD 3.35Å; P43-P45 VanDerWaalsContact O-N 3.12Å |
| 46 | K | 65.4 | Low | 74.4 | Confident | 188 Ų | 188 | 114.3 Ų | 114.3 | 82% | 0.817 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -6.7 | 176.7 | -54.4 | 176.7 | -179.2 | -179.3 | 0 | 113.2 | N44 | N44-K46 PolarHBondContact O-N 3.3Å; N44-K46 WeakPolarHBondContact OD1-CB 3.47Å; N44-K46 PolarHBondContact OD1-N 2.98Å |
| 47 | R | 73.3 | Confident | 75.2 | Confident | 179 Ų | 179 | 113.5 Ų | 113.5 | 68% | 0.675 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -108.5 | 98.3 | 178.2 | -68.4 | -176.4 | 66.5 | 170.9 | 0.8 | 108.5 | N44 S49 | N44-R47 HydrophobicContact CB-CB 4.26Å; N44-R47 HydrophobicContact CB-CG 4.16Å; N44-R47 PolarHBondContact O-N 3.39Å; R47-S49 PolarHBondContact O-N 3.49Å |
| 48 | L | 75.4 | Confident | 75.9 | Confident | 84 Ų | 84 | 109.9 Ų | 109.9 | 44% | 0.44 | 56% | 0.564 | S | S | . | * | trans | -52.6 | 137.6 | 172.3 | -54.6 | 174.1 | 0 | 0 | 0 | 109.9 | E52 R53 | L48-E52 VanDerWaalsContact CA-OE2 3.27Å; L48-E52 WeakPolarHBondContact CA-OE2 3.47Å; L48-E52 HydrophobicContact CB-CB 4.27Å; L48-E52 HydrophobicContact CB-CG 4.15Å; L48-E52 WeakPolarHBondContact CB-OE2 2.96Å; L48-E52 HydrophobicContact CD2-CG 4.13Å; L48-E52 WeakPolarHBondContact CD2-OE1 3.03Å; L48-E52 WeakPolarHBondContact CD2-OE2 3.43Å; L48-R53 HydrophobicContact CB-CG 3.9Å; L48-R53 PolarHBondContact O-NE 2.9Å; L48-R53 VanDerWaalsContact O-NE 3.15Å | ||
| 49 | S | 82.1 | Confident | 76.4 | Confident | 65 Ų | 65 | 105.3 Ų | 105.3 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | trans | -59 | 155.1 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | R47 V51 E52 R53 | R47-S49 PolarHBondContact O-N 3.49Å; S49-V51 PolarHBondContact O-N 3.12Å; S49-V51 PolarHBondContact OG-N 2.91Å; S49-E52 PolarHBondContact N-OE2 3.49Å; S49-E52 VanDerWaalsContact N-OE2 3.16Å; S49-E52 WeakPolarHBondContact O-CB 3.36Å; S49-E52 PolarHBondContact O-N 2.79Å; S49-R53 WeakPolarHBondContact O-CG 3.44Å; S49-R53 PolarHBondContact O-N 2.9Å | ||
| 50 | A | 84.6 | Confident | 77.5 | Confident | 69 Ų | 69 | 104 Ų | 104 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -54.5 | -39.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R53 L54 | A50-R53 PolarHBondContact O-N 3.32Å; A50-L54 VanDerWaalsContact O-CG 3.28Å; A50-L54 WeakPolarHBondContact O-CG 3.38Å; A50-L54 PolarHBondContact O-N 2.93Å |
| 51 | V | 83.9 | Confident | 78.7 | Confident | 93 Ų | 93 | 106 Ų | 106 | 56% | 0.564 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63 | -44.7 | 175.4 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | S49 R53 L54 E55 | S49-V51 PolarHBondContact O-N 3.12Å; S49-V51 PolarHBondContact OG-N 2.91Å; V51-R53 VanDerWaalsContact C-N 3.35Å; V51-R53 PolarHBondContact O-N 3.18Å; V51-L54 PolarHBondContact O-N 3.33Å; V51-E55 PolarHBondContact O-N 3.46Å |
| 52 | E | 85.8 | Confident | 79.9 | Confident | 95 Ų | 95 | 104.3 Ų | 104.3 | 44% | 0.444 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.1 | -35.4 | -178.7 | -172.5 | 178.3 | -168.2 | 0 | 0 | 111.9 | L48 S49 E55 A56 | L48-E52 VanDerWaalsContact CA-OE2 3.27Å; L48-E52 WeakPolarHBondContact CA-OE2 3.47Å; L48-E52 HydrophobicContact CB-CB 4.27Å; L48-E52 HydrophobicContact CB-CG 4.15Å; L48-E52 WeakPolarHBondContact CB-OE2 2.96Å; L48-E52 HydrophobicContact CD2-CG 4.13Å; L48-E52 WeakPolarHBondContact CD2-OE1 3.03Å; L48-E52 WeakPolarHBondContact CD2-OE2 3.43Å; S49-E52 PolarHBondContact N-OE2 3.49Å; S49-E52 VanDerWaalsContact N-OE2 3.16Å; S49-E52 WeakPolarHBondContact O-CB 3.36Å; S49-E52 PolarHBondContact O-N 2.79Å; E52-E55 PolarHBondContact O-N 2.88Å; E52-A56 WeakPolarHBondContact O-CB 3.39Å; E52-A56 PolarHBondContact O-N 2.84Å |
| 53 | R | 89.8 | Confident | 80.9 | Confident | 125 Ų | 125 | 109 Ų | 109 | 47% | 0.472 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -43.6 | 171.1 | -68.2 | 175 | -174.4 | -172.9 | -8.6 | 111.7 | L48 S49 A50 V51 E55 A56 D57 | L48-R53 HydrophobicContact CB-CG 3.9Å; L48-R53 PolarHBondContact O-NE 2.9Å; L48-R53 VanDerWaalsContact O-NE 3.15Å; S49-R53 WeakPolarHBondContact O-CG 3.44Å; S49-R53 PolarHBondContact O-N 2.9Å; A50-R53 PolarHBondContact O-N 3.32Å; V51-R53 VanDerWaalsContact C-N 3.35Å; V51-R53 PolarHBondContact O-N 3.18Å; R53-E55 VanDerWaalsContact C-N 3.31Å; R53-E55 PolarHBondContact O-N 3.43Å; R53-A56 PolarHBondContact O-N 2.94Å; R53-D57 PolarHBondContact O-N 3.34Å |
| 54 | L | 84.6 | Confident | 81.9 | Confident | 128 Ų | 128 | 106.1 Ų | 106.1 | 67% | 0.67 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.8 | -37.1 | 177.2 | -73.6 | 171.4 | 0 | 0 | 0 | 111.8 | A50 V51 K58 | A50-L54 VanDerWaalsContact O-CG 3.28Å; A50-L54 WeakPolarHBondContact O-CG 3.38Å; A50-L54 PolarHBondContact O-N 2.93Å; V51-L54 PolarHBondContact O-N 3.33Å; L54-K58 WeakPolarHBondContact O-CB 3.38Å; L54-K58 PolarHBondContact O-N 3.49Å; L54-K58 VanDerWaalsContact O-N 3.14Å |
| 55 | E | 85.6 | Confident | 82.6 | Confident | 84 Ų | 84 | 107.9 Ų | 107.9 | 39% | 0.393 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.7 | -42.8 | 174.1 | -171.3 | 170.9 | -166.6 | 0 | 0 | 111.6 | V51 E52 R53 K58 K71 | V51-E55 PolarHBondContact O-N 3.46Å; E52-E55 PolarHBondContact O-N 2.88Å; R53-E55 VanDerWaalsContact C-N 3.31Å; R53-E55 PolarHBondContact O-N 3.43Å; E55-K58 WeakPolarHBondContact O-CB 3.5Å; E55-K58 PolarHBondContact O-N 3.46Å; E55-K71 VanDerWaalsContact OE1-CD 3.27Å; E55-K71 WeakPolarHBondContact OE1-CD 3.48Å; E55-K71 WeakPolarHBondContact OE1-CE 3.25Å; E55-K71 WeakPolarHBondContact OE1-CG 3.42Å; E55-K71 IonicContact OE1-NZ 2.66Å; E55-K71 PolarHBondContact OE1-NZ 3.45Å; E55-K71 IonicContact OE2-NZ 3.95Å |
| 56 | A | 85.6 | Confident | 83.5 | Confident | 68 Ų | 68 | 109.4 Ų | 109.4 | 56% | 0.562 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.5 | -38 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | E52 R53 | E52-A56 WeakPolarHBondContact O-CB 3.39Å; E52-A56 PolarHBondContact O-N 2.84Å; R53-A56 PolarHBondContact O-N 2.94Å |
| 57 | D | 90.9 | Very high | 84 | Confident | 64 Ų | 64 | 104 Ų | 104 | 34% | 0.342 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -87.6 | -5.8 | -178.5 | -75.9 | -24.3 | 0 | 0 | 0 | 113.6 | R53 A59 K60 Y61 | R53-D57 PolarHBondContact O-N 3.34Å; D57-A59 VanDerWaalsContact C-N 3.27Å; D57-A59 PolarHBondContact O-N 2.85Å; D57-K60 HydrophobicContact CB-CD 4.45Å; D57-K60 WeakPolarHBondContact O-CB 3.3Å; D57-K60 PolarHBondContact O-N 3.27Å; D57-K60 WeakPolarHBondContact OD1-CE 3.48Å; D57-K60 IonicContact OD1-NZ 2.71Å; D57-K60 PolarHBondContact OD1-NZ 2.9Å; D57-Y61 HydrophobicContact CB-CD2 4.45Å; D57-Y61 HydrophobicContact CB-CE2 4.35Å; D57-Y61 WeakPolarHBondContact O-CD2 3.48Å |
| 58 | K | 90.8 | Very high | 84 | Confident | 44 Ų | 44 | 97.2 Ų | 97.2 | 19% | 0.191 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -56.4 | -39.9 | -176.8 | -155.1 | 174 | 176.6 | -166 | 0 | 112.9 | L54 E55 K60 Y61 V62 V67 I68 A70 | L54-K58 WeakPolarHBondContact O-CB 3.38Å; L54-K58 PolarHBondContact O-N 3.49Å; L54-K58 VanDerWaalsContact O-N 3.14Å; E55-K58 WeakPolarHBondContact O-CB 3.5Å; E55-K58 PolarHBondContact O-N 3.46Å; K58-K60 PolarHBondContact O-N 3.3Å; K58-Y61 PolarHBondContact O-N 3.42Å; K58-V62 HydrophobicContact CG-CB 4.31Å; K58-V62 HydrophobicContact CG-CG2 3.83Å; K58-V62 VanDerWaalsContact O-CB 3.23Å; K58-V62 WeakPolarHBondContact O-CB 3.37Å; K58-V62 WeakPolarHBondContact O-CG2 3.29Å; K58-V62 PolarHBondContact O-N 3.35Å; K58-V67 WeakPolarHBondContact CE-O 3.34Å; K58-V67 PolarHBondContact NZ-O 2.98Å; K58-I68 HydrophobicContact CD-CB 4.45Å; K58-I68 HydrophobicContact CG-CB 4.48Å; K58-I68 HydrophobicContact CG-CG2 4.29Å; K58-I68 PolarHBondContact NZ-O 3.21Å; K58-A70 PolarHBondContact NZ-O 3Å |
| 59 | A | 83.3 | Confident | 84 | Confident | 74 Ų | 74 | 98.5 Ų | 98.5 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.2 | -15.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D57 | D57-A59 VanDerWaalsContact C-N 3.27Å; D57-A59 PolarHBondContact O-N 2.85Å |
| 60 | K | 88.4 | Confident | 83.9 | Confident | 146 Ų | 146 | 98.2 Ų | 98.2 | 64% | 0.635 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -81.8 | -29.3 | 176.4 | -63.1 | 175.3 | -179.9 | 162.9 | 0 | 112.6 | D57 K58 | D57-K60 HydrophobicContact CB-CD 4.45Å; D57-K60 WeakPolarHBondContact O-CB 3.3Å; D57-K60 PolarHBondContact O-N 3.27Å; D57-K60 WeakPolarHBondContact OD1-CE 3.48Å; D57-K60 IonicContact OD1-NZ 2.71Å; D57-K60 PolarHBondContact OD1-NZ 2.9Å; K58-K60 PolarHBondContact O-N 3.3Å |
| 61 | Y | 86 | Confident | 83.3 | Confident | 193 Ų | 193 | 102.2 Ų | 102.2 | 76% | 0.757 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -120 | -12.8 | -169.2 | -60.2 | -73.4 | 0 | 0 | 0 | 113.7 | D57 K58 | D57-Y61 HydrophobicContact CB-CD2 4.45Å; D57-Y61 HydrophobicContact CB-CE2 4.35Å; D57-Y61 WeakPolarHBondContact O-CD2 3.48Å; K58-Y61 PolarHBondContact O-N 3.42Å |
| 62 | V | 87.3 | Confident | 82.4 | Confident | 46 Ų | 46 | 106.4 Ų | 106.4 | 28% | 0.279 | 53% | 0.534 | S | S | . | . | trans | -112.9 | 117.9 | 179.3 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | K58 V67 I68 | K58-V62 HydrophobicContact CG-CB 4.31Å; K58-V62 HydrophobicContact CG-CG2 3.83Å; K58-V62 VanDerWaalsContact O-CB 3.23Å; K58-V62 WeakPolarHBondContact O-CB 3.37Å; K58-V62 WeakPolarHBondContact O-CG2 3.29Å; K58-V62 PolarHBondContact O-N 3.35Å; V62-V67 HydrophobicContact CG1-CB 3.59Å; V62-V67 HydrophobicContact CG1-CG1 3.55Å; V62-I68 HydrophobicContact CB-CG2 3.73Å; V62-I68 HydrophobicContact CG1-CG2 3.68Å | ||
| 63 | K | 87.6 | Confident | 81.5 | Confident | 220 Ų | 220 | 109 Ų | 109 | 96% | 0.957 | 55% | 0.546 | S | S | * | . | trans | -84.4 | -18.6 | -175.5 | -164.8 | 173.6 | -177.8 | 179.6 | 0 | 113.9 | ||||
| 64 | S | 82.9 | Confident | 80.3 | Confident | 51 Ų | 51 | 108.3 Ų | 108.3 | 36% | 0.357 | 56% | 0.558 | S | S | . | * | trans | -93.3 | 124.8 | -179.8 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | E66 V67 I68 | S64-E66 VanDerWaalsContact C-N 3.28Å; S64-E66 PolarHBondContact O-N 2.99Å; S64-V67 PolarHBondContact O-N 2.91Å; S64-I68 WeakPolarHBondContact O-CG2 3.5Å; S64-I68 PolarHBondContact O-N 2.94Å; S64-I68 VanDerWaalsContact O-N 3.09Å | ||
| 65 | Q | 77.4 | Confident | 79 | Confident | 119 Ų | 119 | 108.9 Ų | 108.9 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.1 | -31.5 | -179.2 | -172.2 | 65.1 | 39.1 | 0 | 0 | 113 | I68 N69 | Q65-I68 VanDerWaalsContact CD-CD1 3.4Å; Q65-I68 VanDerWaalsContact NE2-CD1 3.26Å; Q65-I68 VanDerWaalsContact O-CG1 3.26Å; Q65-I68 WeakPolarHBondContact O-CG1 3.49Å; Q65-I68 PolarHBondContact O-N 3.06Å; Q65-N69 PolarHBondContact NE2-OD1 3.47Å; Q65-N69 PolarHBondContact O-N 3.24Å; Q65-N69 PolarHBondContact O-ND2 3.48Å |
| 66 | E | 81.8 | Confident | 77.6 | Confident | 162 Ų | 162 | 113 Ų | 113 | 76% | 0.757 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.2 | -41.3 | 177.5 | -64.9 | 174.8 | 175.8 | 0 | 0 | 110.6 | S64 N69 A70 | S64-E66 VanDerWaalsContact C-N 3.28Å; S64-E66 PolarHBondContact O-N 2.99Å; E66-N69 PolarHBondContact O-N 3.33Å; E66-A70 PolarHBondContact O-N 2.99Å |
| 67 | V | 75.9 | Confident | 76 | Confident | 76 Ų | 76 | 115.2 Ų | 115.2 | 46% | 0.461 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.5 | -38.4 | 177.6 | -177.2 | 0 | 0 | 0 | 0 | 110 | K58 V62 S64 A70 | K58-V67 WeakPolarHBondContact CE-O 3.34Å; K58-V67 PolarHBondContact NZ-O 2.98Å; V62-V67 HydrophobicContact CG1-CB 3.59Å; V62-V67 HydrophobicContact CG1-CG1 3.55Å; S64-V67 PolarHBondContact O-N 2.91Å; V67-A70 PolarHBondContact O-N 2.82Å |
| 68 | I | 73.4 | Confident | 74.3 | Confident | 36 Ų | 36 | 116.9 Ų | 116.9 | 19% | 0.185 | 62% | 0.615 | C | S | . | * | H | α-helix | trans | -66.2 | -38.6 | 178.5 | 74.3 | -177.4 | 0 | 0 | 0 | 113.2 | K58 V62 S64 Q65 A70 | K58-I68 HydrophobicContact CD-CB 4.45Å; K58-I68 HydrophobicContact CG-CB 4.48Å; K58-I68 HydrophobicContact CG-CG2 4.29Å; K58-I68 PolarHBondContact NZ-O 3.21Å; V62-I68 HydrophobicContact CB-CG2 3.73Å; V62-I68 HydrophobicContact CG1-CG2 3.68Å; S64-I68 WeakPolarHBondContact O-CG2 3.5Å; S64-I68 PolarHBondContact O-N 2.94Å; S64-I68 VanDerWaalsContact O-N 3.09Å; Q65-I68 VanDerWaalsContact CD-CD1 3.4Å; Q65-I68 VanDerWaalsContact NE2-CD1 3.26Å; Q65-I68 VanDerWaalsContact O-CG1 3.26Å; Q65-I68 WeakPolarHBondContact O-CG1 3.49Å; Q65-I68 PolarHBondContact O-N 3.06Å; I68-A70 VanDerWaalsContact C-N 3.29Å; I68-A70 PolarHBondContact O-N 3.18Å |
| 69 | N | 75.8 | Confident | 72.4 | Confident | 110 Ų | 110 | 121.4 Ų | 121.4 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.4 | -18.4 | -179.4 | -70.6 | -14.6 | 0 | 0 | 0 | 113.6 | Q65 E66 K71 | Q65-N69 PolarHBondContact NE2-OD1 3.47Å; Q65-N69 PolarHBondContact O-N 3.24Å; Q65-N69 PolarHBondContact O-ND2 3.48Å; E66-N69 PolarHBondContact O-N 3.33Å; N69-K71 PolarHBondContact O-N 3.2Å |
| 70 | A | 79.6 | Confident | 70.7 | Confident | 60 Ų | 60 | 125.9 Ų | 125.9 | 50% | 0.496 | 66% | 0.658 | S | S | . | * | trans | -71.4 | 98 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K58 E66 V67 I68 | K58-A70 PolarHBondContact NZ-O 3Å; E66-A70 PolarHBondContact O-N 2.99Å; V67-A70 PolarHBondContact O-N 2.82Å; I68-A70 VanDerWaalsContact C-N 3.29Å; I68-A70 PolarHBondContact O-N 3.18Å | ||
| 71 | K | 72.7 | Confident | 68.6 | Low | 152 Ų | 152 | 122.9 Ų | 122.9 | 66% | 0.661 | 66% | 0.66 | S | S | * | * | trans | -76.1 | 132.2 | 172.9 | -61.1 | -168 | -178.3 | -133.4 | 0 | 109.8 | E55 N69 E73 | E55-K71 VanDerWaalsContact OE1-CD 3.27Å; E55-K71 WeakPolarHBondContact OE1-CD 3.48Å; E55-K71 WeakPolarHBondContact OE1-CE 3.25Å; E55-K71 WeakPolarHBondContact OE1-CG 3.42Å; E55-K71 IonicContact OE1-NZ 2.66Å; E55-K71 PolarHBondContact OE1-NZ 3.45Å; E55-K71 IonicContact OE2-NZ 3.95Å; N69-K71 PolarHBondContact O-N 3.2Å; K71-E73 PolarHBondContact O-N 3Å | ||
| 72 | Q | 66.1 | Low | 66.8 | Low | 182 Ų | 182 | 123.2 Ų | 123.2 | 85% | 0.85 | 67% | 0.666 | S | S | * | * | trans | -78.5 | 110.8 | 173.3 | -167 | 170.3 | 29.1 | 0 | 0 | 108.2 | ||||
| 73 | E | 66.8 | Low | 64.7 | Low | 148 Ų | 148 | 126.5 Ų | 126.5 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | trans | -70.8 | 137.3 | 173.2 | -67 | -137.6 | 154.5 | 0 | 0 | 110 | K71 V75 | K71-E73 PolarHBondContact O-N 3Å; E73-V75 PolarHBondContact O-N 2.88Å | ||
| 74 | P | 63.6 | Low | 62.6 | Low | 112 Ų | 112 | 122.2 Ų | 122.2 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -57.9 | 125.7 | 170 | -21.4 | 32.1 | 0 | 0 | 0 | 109.7 | K76 | P74-K76 PolarHBondContact O-N 3.35Š| ||
| 75 | V | 58.3 | Low | 60.6 | Low | 139 Ų | 139 | 126.3 Ų | 126.3 | 84% | 0.842 | 71% | 0.706 | S | S | * | * | trans | -61.3 | 102.1 | 172.1 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | E73 P77 | E73-V75 PolarHBondContact O-N 2.88Å; V75-P77 VanDerWaalsContact O-CD 3.25Å; V75-P77 WeakPolarHBondContact O-CD 3.29Å | ||
| 76 | K | 55.6 | Low | 58.4 | Low | 172 Ų | 172 | 126.6 Ų | 126.6 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -64.9 | 116.2 | 175 | -67.4 | 173.5 | -175.5 | 163.5 | 0 | 107.2 | P74 A78 | P74-K76 PolarHBondContact O-N 3.35Å; K76-A78 PolarHBondContact O-N 3.14Å | ||
| 77 | P | 52.3 | Low | 56.4 | Low | 114 Ų | 114 | 124.5 Ų | 124.5 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | trans | -62.9 | 126.3 | 171.8 | 25.3 | -31 | 0 | 0 | 0 | 108 | V75 V79 | V75-P77 VanDerWaalsContact O-CD 3.25Å; V75-P77 WeakPolarHBondContact O-CD 3.29Å; P77-V79 PolarHBondContact O-N 3.12Å | ||
| 78 | A | 54.6 | Low | 54.5 | Low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -56.8 | 111.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | K76 L80 | K76-A78 PolarHBondContact O-N 3.14Å; A78-L80 VanDerWaalsContact C-N 3.3Å; A78-L80 PolarHBondContact O-N 3.32Å | ||
| 79 | V | 50.6 | Low | 52.9 | Low | 139 Ų | 139 | 129.1 Ų | 129.1 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | -66.4 | 96.1 | 169.8 | 176.1 | 0 | 0 | 0 | 0 | 106.3 | P77 A81 | P77-V79 PolarHBondContact O-N 3.12Å; V79-A81 PolarHBondContact O-N 2.9Å | ||
| 80 | L | 48 | Very low | 51.2 | Low | 168 Ų | 168 | 132.9 Ų | 132.9 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | trans | -61.2 | 102.5 | 169.5 | -173.3 | 74.5 | 0 | 0 | 0 | 107.4 | A78 K82 | A78-L80 VanDerWaalsContact C-N 3.3Å; A78-L80 PolarHBondContact O-N 3.32Å; L80-K82 PolarHBondContact O-N 3.01Å | ||
| 81 | A | 43.4 | Very low | 49.2 | Very low | 82 Ų | 82 | 141.1 Ų | 141.1 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 135.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V79 | V79-A81 PolarHBondContact O-N 2.9Š|
| 82 | K | 49.3 | Very low | 47.3 | Very low | 201 Ų | 201 | 139 Ų | 139 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 132.3 | 172.8 | -65.9 | -174.6 | 174.1 | -178.3 | 0 | 110.1 | L80 | L80-K82 PolarHBondContact O-N 3.01Š|
| 83 | P | 42.6 | Very low | 46.1 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 147.1 | 165.5 | 30.8 | -29.8 | 0 | 0 | 0 | 110.4 | ||
| 84 | P | 44.3 | Very low | 44.5 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 141.7 | -173.8 | 29.5 | -33.2 | 0 | 0 | 0 | 112 | ||
| 85 | V | 41.3 | Very low | 43.4 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131.4 | 169.8 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 86 | C | 30.8 | Very low | 42.8 | Very low | 124 Ų | 124 | 135 Ų | 135 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | -157 | 156.9 | 150.3 | -93.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 87 | P | 40.5 | Very low | 41.8 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | trans | -103.2 | 154.6 | -138.2 | 37.6 | -33.9 | 0 | 0 | 0 | 116.9 | ||||
| 88 | A | 34.9 | Very low | 41.3 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | 29 | 114.3 | 150 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 89 | A | 38.9 | Very low | 40.7 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 88% | 0.884 | 83% | 0.832 | S | S | * | * | trans | -151.1 | 153.5 | 143 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 90 | K | 41.3 | Very low | 40 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 82% | 0.817 | 83% | 0.828 | S | S | * | * | trans | -90 | 149.6 | -152.6 | -60.6 | 173.5 | 177.8 | 177.2 | 0 | 114.4 | ||||
| 91 | R | 36.8 | Very low | 39.7 | Very low | 233 Ų | 233 | 139.7 Ų | 139.7 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | 26.9 | 124.7 | 144.9 | -68.2 | -173.4 | -82.7 | 153.6 | -7.5 | 119.5 | ||||
| 92 | A | 34.3 | Very low | 39.4 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | trans | -163.3 | 143 | 131 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 93 | L | 39.6 | Very low | 39.2 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | trans | -77.5 | 142 | -178.6 | 175 | 67.9 | 0 | 0 | 0 | 111.8 | ||||
| 94 | G | 33.8 | Very low | 39.1 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | 146.8 | 104.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 95 | S | 39.3 | Very low | 38.9 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -104.2 | 170.3 | 153.2 | -72.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 96 | P | 45.6 | Very low | 38.9 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | cis | -127.4 | 160.3 | -35.2 | 33.1 | -16.6 | 0 | 0 | 0 | 111.1 | ||||
| 97 | T | 34.6 | Very low | 39.4 | Very low | 138 Ų | 138 | 143 Ų | 143 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | trans | -124.2 | 124.5 | 167 | 32.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 98 | L | 43.2 | Very low | 39.3 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -60.9 | 131.4 | 171.9 | -64.4 | 167 | 0 | 0 | 0 | 110.4 | ||||
| 99 | K | 41.3 | Very low | 39.4 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 77% | 0.774 | 83% | 0.825 | S | S | * | * | trans | -134.2 | 103.4 | 157.5 | -70.5 | -164.8 | 177 | -176.4 | 0 | 110.2 | F101 | K99-F101 HydrophobicContact CB-CE2 4.32Š| ||
| 100 | V | 36.5 | Very low | 39.3 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | trans | -60.1 | 127 | 161.7 | 168.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 101 | F | 41.6 | Very low | 39.4 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 77% | 0.772 | 81% | 0.81 | S | S | * | * | trans | -129.4 | 110 | 154.8 | -79.5 | -74.3 | 0 | 0 | 0 | 109.1 | K99 | K99-F101 HydrophobicContact CB-CE2 4.32Š| ||
| 102 | N | 36.8 | Very low | 40.1 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | trans | -85.9 | 120.9 | 170.2 | -178.6 | 46.6 | 0 | 0 | 0 | 107.5 | ||||
| 103 | N | 45.1 | Very low | 41.1 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -133.5 | 111.7 | 167.7 | -80 | -49.8 | 0 | 0 | 0 | 108.8 | ||||
| 104 | N | 41.4 | Very low | 42 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -97.8 | 108.5 | 173 | 53.1 | -6.8 | 0 | 0 | 0 | 109 | ||||
| 105 | A | 39.4 | Very low | 42.9 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -127.3 | 119.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 106 | K | 41.9 | Very low | 44 | Very low | 212 Ų | 212 | 141 Ų | 141 | 92% | 0.922 | 76% | 0.759 | S | S | * | * | trans | -60.2 | 126.6 | 177.5 | -83.7 | 161.8 | 163.6 | 173.3 | 0 | 111.2 | ||||
| 107 | T | 40.3 | Very low | 45.4 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 83% | 0.828 | 75% | 0.753 | S | S | * | * | trans | -139.9 | 116.6 | 146.2 | -54.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 108 | E | 38.7 | Very low | 47.4 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -67 | 124.3 | 170.8 | -72.6 | -172.7 | 144.5 | 0 | 0 | 110.2 | ||||
| 109 | S | 36.2 | Very low | 49 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | 166.4 | 119.1 | 125.5 | 68.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 110 | G | 37.6 | Very low | 50.9 | Low | 73 Ų | 73 | 134.2 Ų | 134.2 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | trans | 89.3 | 123.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 111 | V | 44.2 | Very low | 52.9 | Low | 107 Ų | 107 | 132.3 Ų | 132.3 | 65% | 0.648 | 69% | 0.694 | S | S | * | * | trans | 91.4 | 84.4 | 155.6 | -156.9 | 0 | 0 | 0 | 0 | 116.3 | R113 | V111-R113 HydrophobicContact CG1-CB 3.96Å; V111-R113 HydrophobicContact CG1-CG 3.91Å; V111-R113 PolarHBondContact O-N 3.33Å | ||
| 112 | Q | 50.2 | Low | 54.6 | Low | 159 Ų | 159 | 130.3 Ų | 130.3 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | trans | -46.7 | 71.9 | 153.8 | -78.6 | -105.5 | 32.5 | 0 | 0 | 113 | ||||
| 113 | R | 55.5 | Low | 56.4 | Low | 195 Ų | 195 | 128.1 Ų | 128.1 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | trans | -119.3 | -11 | 179.5 | -110.9 | -174.2 | 176.3 | 92.7 | -0.7 | 115.8 | V111 | V111-R113 HydrophobicContact CG1-CB 3.96Å; V111-R113 HydrophobicContact CG1-CG 3.91Å; V111-R113 PolarHBondContact O-N 3.33Å | ||
| 114 | E | 58.6 | Low | 58 | Low | 172 Ų | 172 | 125.9 Ų | 125.9 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -102 | -16.3 | -178.6 | 60.2 | -170.6 | -174.3 | 0 | 0 | 114.3 | ||
| 115 | N | 53.6 | Low | 59.7 | Low | 99 Ų | 99 | 124.3 Ų | 124.3 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -80.1 | -35 | 175.7 | -132.4 | -84.3 | 0 | 0 | 0 | 112.8 | K117 L118 E119 | N115-K117 VanDerWaalsContact C-N 3.28Å; N115-K117 PolarHBondContact O-N 3.08Å; N115-L118 PolarHBondContact O-N 3.05Å; N115-E119 WeakPolarHBondContact O-CB 3.1Å; N115-E119 PolarHBondContact O-N 3.12Å |
| 116 | L | 61.6 | Low | 61.2 | Low | 83 Ų | 83 | 124.5 Ų | 124.5 | 44% | 0.435 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -57.3 | -40.1 | -178.5 | -64.9 | 170.7 | 0 | 0 | 0 | 111.9 | L118 E119 I120 | L116-L118 PolarHBondContact O-N 3.34Å; L116-E119 PolarHBondContact O-N 2.86Å; L116-I120 HydrophobicContact CB-CD1 4.12Å; L116-I120 WeakPolarHBondContact O-CB 3.38Å; L116-I120 WeakPolarHBondContact O-CD1 3.37Å; L116-I120 WeakPolarHBondContact O-CG1 3.35Å; L116-I120 PolarHBondContact O-N 3.44Å |
| 117 | K | 74.6 | Confident | 62 | Low | 153 Ų | 153 | 119 Ų | 119 | 67% | 0.665 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.6 | -41.1 | -176.5 | -169.9 | 177.9 | 179.1 | -176.4 | 0 | 112 | N115 L121 | N115-K117 VanDerWaalsContact C-N 3.28Å; N115-K117 PolarHBondContact O-N 3.08Å; K117-L121 HydrophobicContact CG-CD1 4.48Å; K117-L121 WeakPolarHBondContact O-CD1 3.32Å; K117-L121 WeakPolarHBondContact O-CG 3.46Å; K117-L121 PolarHBondContact O-N 2.98Å |
| 118 | L | 77.4 | Confident | 62.8 | Low | 125 Ų | 125 | 117.2 Ų | 117.2 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.8 | -35.9 | 179 | -67 | 174.4 | 0 | 0 | 0 | 111.6 | N115 L116 L121 K122 | N115-L118 PolarHBondContact O-N 3.05Å; L116-L118 PolarHBondContact O-N 3.34Å; L118-L121 PolarHBondContact O-N 2.76Å; L118-K122 VanDerWaalsContact O-CB 3.27Å; L118-K122 WeakPolarHBondContact O-CB 3.07Å; L118-K122 PolarHBondContact O-N 3.15Å |
| 119 | E | 77.3 | Confident | 63.7 | Low | 95 Ų | 95 | 116.5 Ų | 116.5 | 44% | 0.444 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.3 | -40.2 | 176.7 | -171.2 | 172.3 | -162.9 | 0 | 0 | 112.3 | N115 L116 K122 N123 | N115-E119 WeakPolarHBondContact O-CB 3.1Å; N115-E119 PolarHBondContact O-N 3.12Å; L116-E119 PolarHBondContact O-N 2.86Å; E119-K122 PolarHBondContact O-N 3.21Å; E119-N123 VanDerWaalsContact O-CB 3.28Å; E119-N123 WeakPolarHBondContact O-CB 3.44Å; E119-N123 PolarHBondContact O-N 2.99Å; E119-N123 PolarHBondContact O-ND2 3.49Å |
| 120 | I | 79.4 | Confident | 64 | Low | 94 Ų | 94 | 113.7 Ų | 113.7 | 48% | 0.482 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.5 | -46.9 | 173.4 | -70 | 159.6 | 0 | 0 | 0 | 109.9 | L116 K122 N123 I124 | L116-I120 HydrophobicContact CB-CD1 4.12Å; L116-I120 WeakPolarHBondContact O-CB 3.38Å; L116-I120 WeakPolarHBondContact O-CD1 3.37Å; L116-I120 WeakPolarHBondContact O-CG1 3.35Å; L116-I120 PolarHBondContact O-N 3.44Å; I120-K122 PolarHBondContact O-N 3.35Å; I120-N123 PolarHBondContact O-N 3.46Å; I120-I124 HydrophobicContact CG2-CD1 3.59Å; I120-I124 HydrophobicContact CG2-CG1 4.39Å; I120-I124 WeakPolarHBondContact O-CB 3.25Å; I120-I124 WeakPolarHBondContact O-CD1 3.25Å; I120-I124 WeakPolarHBondContact O-CG1 3.32Å; I120-I124 PolarHBondContact O-N 2.97Å |
| 121 | L | 79.9 | Confident | 64.1 | Low | 86 Ų | 86 | 115.9 Ų | 115.9 | 45% | 0.45 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.6 | -42.6 | 177.8 | -70 | 170.7 | 0 | 0 | 0 | 111.8 | K117 L118 I124 I125 | K117-L121 HydrophobicContact CG-CD1 4.48Å; K117-L121 WeakPolarHBondContact O-CD1 3.32Å; K117-L121 WeakPolarHBondContact O-CG 3.46Å; K117-L121 PolarHBondContact O-N 2.98Å; L118-L121 PolarHBondContact O-N 2.76Å; L121-I124 PolarHBondContact O-N 2.9Å; L121-I125 WeakPolarHBondContact O-CD1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.37Å; L121-I125 PolarHBondContact O-N 3.1Å |
| 122 | K | 76.1 | Confident | 64 | Low | 133 Ų | 133 | 115.7 Ų | 115.7 | 58% | 0.578 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.4 | -43.2 | 175.8 | -176.9 | -177.8 | 177.3 | -171.3 | 0 | 111.7 | L118 E119 I120 I125 N126 | L118-K122 VanDerWaalsContact O-CB 3.27Å; L118-K122 WeakPolarHBondContact O-CB 3.07Å; L118-K122 PolarHBondContact O-N 3.15Å; E119-K122 PolarHBondContact O-N 3.21Å; I120-K122 PolarHBondContact O-N 3.35Å; K122-I125 PolarHBondContact O-N 3.01Å; K122-N126 WeakPolarHBondContact O-CB 3.47Å; K122-N126 PolarHBondContact O-N 3.22Å; K122-N126 PolarHBondContact O-ND2 3.18Å; K122-N126 VanDerWaalsContact O-ND2 3.17Å |
| 123 | N | 74.7 | Confident | 63.4 | Low | 83 Ų | 83 | 113.6 Ų | 113.6 | 44% | 0.444 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69 | -36.3 | 178.9 | -73.6 | -16.7 | 0 | 0 | 0 | 111.9 | E119 I120 S127 | E119-N123 VanDerWaalsContact O-CB 3.28Å; E119-N123 WeakPolarHBondContact O-CB 3.44Å; E119-N123 PolarHBondContact O-N 2.99Å; E119-N123 PolarHBondContact O-ND2 3.49Å; I120-N123 PolarHBondContact O-N 3.46Å; N123-S127 WeakPolarHBondContact O-CB 3.25Å; N123-S127 PolarHBondContact O-N 3.36Å; N123-S127 PolarHBondContact O-OG 2.93Å |
| 124 | I | 80 | Confident | 62.3 | Low | 102 Ų | 102 | 107.9 Ų | 107.9 | 52% | 0.523 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.6 | -44.2 | 175.8 | -68.7 | 163.6 | 0 | 0 | 0 | 110.8 | I120 L121 S127 S128 | I120-I124 HydrophobicContact CG2-CD1 3.59Å; I120-I124 HydrophobicContact CG2-CG1 4.39Å; I120-I124 WeakPolarHBondContact O-CB 3.25Å; I120-I124 WeakPolarHBondContact O-CD1 3.25Å; I120-I124 WeakPolarHBondContact O-CG1 3.32Å; I120-I124 PolarHBondContact O-N 2.97Å; L121-I124 PolarHBondContact O-N 2.9Å; I124-S127 PolarHBondContact O-N 3.01Å; I124-S128 WeakPolarHBondContact O-CB 3.36Å; I124-S128 PolarHBondContact O-N 3.46Å; I124-S128 VanDerWaalsContact O-N 3.11Å |
| 125 | I | 76.1 | Confident | 61.2 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 54% | 0.538 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.1 | -46.5 | 179.1 | -67 | 164.6 | 0 | 0 | 0 | 110.2 | L121 K122 S127 S128 | L121-I125 WeakPolarHBondContact O-CD1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.37Å; L121-I125 PolarHBondContact O-N 3.1Å; K122-I125 PolarHBondContact O-N 3.01Å; I125-S127 PolarHBondContact O-N 3.24Å; I125-S128 PolarHBondContact O-N 2.9Å |
| 126 | N | 72 | Confident | 60.4 | Low | 101 Ų | 101 | 104.2 Ų | 104.2 | 54% | 0.54 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.9 | -26.7 | 179.5 | -65.2 | -23 | 0 | 0 | 0 | 113.6 | K122 S128 | K122-N126 WeakPolarHBondContact O-CB 3.47Å; K122-N126 PolarHBondContact O-N 3.22Å; K122-N126 PolarHBondContact O-ND2 3.18Å; K122-N126 VanDerWaalsContact O-ND2 3.17Å; N126-S128 VanDerWaalsContact C-N 3.32Å |
| 127 | S | 57.4 | Low | 59 | Low | 95 Ų | 95 | 109.7 Ų | 109.7 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.3 | -12.6 | 175.4 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | N123 I124 I125 | N123-S127 WeakPolarHBondContact O-CB 3.25Å; N123-S127 PolarHBondContact O-N 3.36Å; N123-S127 PolarHBondContact O-OG 2.93Å; I124-S127 PolarHBondContact O-N 3.01Å; I125-S127 PolarHBondContact O-N 3.24Å |
| 128 | S | 58.1 | Low | 57.5 | Low | 99 Ų | 99 | 111 Ų | 111 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -89 | -7.8 | 177.6 | -171.7 | 0 | 0 | 0 | 0 | 113.2 | I124 I125 N126 | I124-S128 WeakPolarHBondContact O-CB 3.36Å; I124-S128 PolarHBondContact O-N 3.46Å; I124-S128 VanDerWaalsContact O-N 3.11Å; I125-S128 PolarHBondContact O-N 2.9Å; N126-S128 VanDerWaalsContact C-N 3.32Å |
| 129 | E | 57.5 | Low | 55.5 | Low | 172 Ų | 172 | 113.2 Ų | 113.2 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -120 | 71.9 | -179.1 | -61.2 | -162.7 | -172.7 | 0 | 0 | 111.2 | ||
| 130 | G | 42.5 | Very low | 53.2 | Low | 56 Ų | 56 | 113.7 Ų | 113.7 | 58% | 0.577 | 68% | 0.677 | S | S | * | * | trans | 154.9 | 115.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 131 | S | 38.7 | Very low | 51.2 | Low | 119 Ų | 119 | 114 Ų | 114 | 83% | 0.832 | 69% | 0.687 | S | S | * | * | cis | -159.4 | 148.8 | 17.7 | -67.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 132 | S | 42 | Very low | 49.1 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | -48.9 | 155.8 | 153.2 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 133 | S | 38.5 | Very low | 47.1 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | 60.1 | 124.9 | 153.4 | 79.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 134 | G | 33 | Very low | 45 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | 95.9 | 119.4 | 126.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 135 | S | 34.9 | Very low | 43 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 94% | 0.937 | 75% | 0.75 | S | S | * | * | trans | 82.6 | 131.4 | 147 | -157.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 136 | G | 36 | Very low | 41.2 | Very low | 60 Ų | 60 | 131.1 Ų | 131.1 | 62% | 0.619 | 76% | 0.763 | S | S | * | * | trans | -101.3 | 177.7 | -166 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 137 | H | 32.2 | Very low | 39.3 | Very low | 198 Ų | 198 | 135.6 Ų | 135.6 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | -159.8 | 140 | 149.8 | -120.6 | 63.8 | 0 | 0 | 0 | 111.2 | ||||
| 138 | K | 43 | Very low | 38.1 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -79.3 | 142.8 | 179.2 | -63.6 | 173.1 | 173.2 | -179.8 | 0 | 110.6 | ||||
| 139 | H | 35.8 | Very low | 36.9 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | 163.5 | 150.8 | 110.2 | -109.9 | -89.9 | 0 | 0 | 0 | 113.6 | |||||
| 140 | S | 28.9 | Very low | 35.5 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 91.8 | 73.8 | 149.5 | -106.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 141 | S | 37.2 | Very low | 35 | Very low | 101 Ų | 101 | 144 Ų | 144 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | 21.2 | 121.2 | 116.9 | -32.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 142 | R | 36.2 | Very low | 34.7 | Very low | 252 Ų | 252 | 145.4 Ų | 145.4 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | trans | -143.8 | 120.3 | 140.6 | -139.5 | 177.5 | -67.3 | -157.8 | 1.9 | 109.8 | ||||
| 143 | N | 33.5 | Very low | 34.3 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | trans | -84.4 | 149.6 | -172 | -68 | -26 | 0 | 0 | 0 | 112.7 | ||||
| 144 | W | 30.6 | Very low | 34.2 | Very low | 251 Ų | 251 | 152 Ų | 152 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | trans | -156.2 | 156.5 | 136.4 | -82.4 | 118 | 0 | 0 | 0 | 108 | ||||
| 145 | P | 38.5 | Very low | 34.1 | Very low | 102 Ų | 102 | 154.3 Ų | 154.3 | 66% | 0.662 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 154.8 | -135 | 36.1 | -27.4 | 0 | 0 | 0 | 113.7 | ||
| 146 | P | 38.1 | Very low | 34.3 | Very low | 125 Ų | 125 | 159.3 Ų | 159.3 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 132.9 | 167.6 | 32.2 | -27.8 | 0 | 0 | 0 | 110.3 | ||
| 147 | H | 32.5 | Very low | 34.2 | Very low | 195 Ų | 195 | 164.1 Ų | 164.1 | 90% | 0.903 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 136.5 | 169.7 | -97 | -97 | 0 | 0 | 0 | 111.1 | ||
| 148 | R | 31.9 | Very low | 34.4 | Very low | 247 Ų | 247 | 159.7 Ų | 159.7 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63 | 150.7 | 172.7 | -105.5 | -166.4 | -175.7 | -141.8 | 5 | 112.1 | ||
| 149 | A | 32.5 | Very low | 33.7 | Very low | 84 Ų | 84 | 160.7 Ų | 160.7 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 155.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 150 | D | 28.6 | Very low | 33.8 | Very low | 170 Ų | 170 | 156.4 Ų | 156.4 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -121.3 | 144.5 | 136.3 | -97.4 | -30.5 | 0 | 0 | 0 | 110.2 | ||||
| 151 | S | 31.7 | Very low | 33.8 | Very low | 98 Ų | 98 | 160 Ų | 160 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | -82.1 | 153.2 | -152.1 | -56.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 152 | T | 33.8 | Very low | 33.6 | Very low | 149 Ų | 149 | 159.1 Ų | 159.1 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | -176.6 | 86.1 | 124.7 | 28.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 153 | E | 32.9 | Very low | 33.5 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -105.7 | 124.8 | 158.8 | -79.6 | -171.6 | 167.3 | 0 | 0 | 108.5 | ||||
| 154 | L | 37 | Very low | 33.7 | Very low | 171 Ų | 171 | 157.7 Ų | 157.7 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -144.5 | 93.8 | 146.8 | -76.2 | 179.4 | 0 | 0 | 0 | 106.9 | ||||
| 155 | N | 29.5 | Very low | 33.7 | Very low | 124 Ų | 124 | 152.1 Ų | 152.1 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | 80.6 | 89.9 | 95.5 | -165 | -13.5 | 0 | 0 | 0 | 112.8 | H157 | N155-H157 PolarHBondContact OD1-CD2 3.42Å; N155-H157 PolarHBondContact OD1-N 3.43Å | |||
| 156 | R | 40.3 | Very low | 33.5 | Very low | 239 Ų | 239 | 157.8 Ų | 157.8 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -77.4 | 107 | 155 | -92.5 | -175.6 | 163.4 | -93.1 | -0.1 | 107.6 | ||||
| 157 | H | 34.7 | Very low | 33.7 | Very low | 161 Ų | 161 | 156.8 Ų | 156.8 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | trans | -143.6 | 129.2 | 152.8 | -89.7 | -66.3 | 0 | 0 | 0 | 112.7 | N155 | N155-H157 PolarHBondContact OD1-CD2 3.42Å; N155-H157 PolarHBondContact OD1-N 3.43Å | ||
| 158 | S | 34.3 | Very low | 33.7 | Very low | 105 Ų | 105 | 153.8 Ų | 153.8 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -47.8 | 130.2 | 167.5 | 176 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 159 | F | 30.2 | Very low | 33.7 | Very low | 201 Ų | 201 | 151.3 Ų | 151.3 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -144 | 111.2 | 148.8 | -84.8 | -78.8 | 0 | 0 | 0 | 109.5 | ||||
| 160 | A | 36.3 | Very low | 33.6 | Very low | 82 Ų | 82 | 150.6 Ų | 150.6 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -71.9 | 162.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 161 | E | 29 | Very low | 33.8 | Very low | 180 Ų | 180 | 153.6 Ų | 153.6 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | 103.7 | 123.4 | 150.4 | -160.7 | 155.4 | -162.3 | 0 | 0 | 118.5 | ||||
| 162 | S | 32.8 | Very low | 33.8 | Very low | 82 Ų | 82 | 153.8 Ų | 153.8 | 57% | 0.573 | 80% | 0.8 | S | S | * | * | trans | 82.1 | 93.4 | 150.6 | -69.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 163 | L | 35 | Very low | 33.7 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | trans | -111.8 | 119.8 | 131.9 | -92 | 166.1 | 0 | 0 | 0 | 108.9 | ||||
| 164 | K | 37 | Very low | 34.4 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -112.4 | 119.8 | 178.6 | -139.6 | 132.5 | -179.8 | 171.3 | 0 | 106.8 | ||||
| 165 | V | 31.6 | Very low | 34.2 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -139.5 | 99.3 | 158.7 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 166 | Y | 33.3 | Very low | 34.2 | Very low | 222 Ų | 222 | 149.2 Ų | 149.2 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | trans | 49.8 | 148.3 | 152.5 | -79.4 | -95.2 | 0 | 0 | 0 | 126.1 | ||||
| 167 | P | 43.8 | Very low | 33.7 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | trans | -117.9 | 161.7 | -158.9 | 41.7 | -27.3 | 0 | 0 | 0 | 115.3 | ||||
| 168 | T | 30.9 | Very low | 33.5 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -152.1 | 100.9 | 145 | 54.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 169 | Q | 32.1 | Very low | 33.6 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | 86.4 | 123.4 | 93.4 | -170.4 | 154 | 11.3 | 0 | 0 | 114.4 | |||||
| 170 | G | 31.1 | Very low | 34 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 123.6 | 77 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 171 | R | 33 | Very low | 34.1 | Very low | 233 Ų | 233 | 138.9 Ų | 138.9 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | 85.8 | 128.3 | 77.9 | -158.2 | 177.7 | -158.4 | -104.6 | 5.2 | 112.8 | |||||
| 172 | S | 31.7 | Very low | 34.4 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 71.5 | 102.2 | 159.1 | 50.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 173 | S | 30.5 | Very low | 34.6 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -61.6 | -174.1 | 133.9 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 174 | P | 49 | Very low | 34.5 | Very low | 111 Ų | 111 | 147 Ų | 147 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | cis | -132.2 | -174.4 | -6.1 | 33.3 | -11.8 | 0 | 0 | 0 | 112.6 | ||||
| 175 | Q | 31.3 | Very low | 34.1 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | 146 | 113.7 | 125.4 | -166.3 | 157.8 | 8.6 | 0 | 0 | 114.3 | |||||
| 176 | E | 30 | Very low | 34 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | 27.4 | 143.8 | 138.9 | -55.9 | 179.4 | 135.3 | 0 | 0 | 122.9 | ||||
| 177 | S | 30.5 | Very low | 33.8 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 106.3 | 125.1 | 127.7 | 76.4 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 178 | S | 31.1 | Very low | 33.1 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 89.4 | 126.1 | 133.7 | 74.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 179 | S | 36 | Very low | 32.9 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | -4.4 | 151.8 | 139.5 | 52 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 180 | N | 37 | Very low | 32.9 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | -169.4 | 152.3 | 70.7 | -42.4 | -55.8 | 0 | 0 | 0 | 111.4 | |||||
| 181 | V | 39.8 | Very low | 32.8 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -34.6 | 139 | 152.1 | -96.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 182 | S | 34.6 | Very low | 32.8 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -157.2 | 131.7 | 141.2 | -88.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 183 | R | 37.6 | Very low | 32.7 | Very low | 239 Ų | 239 | 141.7 Ų | 141.7 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -104.2 | 128.7 | 176.5 | -177 | -165.8 | -62.7 | -133.6 | 2.5 | 107.6 | ||||
| 184 | R | 32.3 | Very low | 32.9 | Very low | 240 Ų | 240 | 142.8 Ų | 142.8 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | trans | 179.2 | 112.8 | 153.5 | -104.6 | 178.2 | -109.9 | -151.8 | -0.7 | 107.1 | ||||
| 185 | L | 28.6 | Very low | 32.3 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | 61 | 100.2 | 79.5 | -154.2 | 176.3 | 0 | 0 | 0 | 111.8 | |||||
| 186 | L | 30.4 | Very low | 32.6 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | trans | -149.8 | 115.7 | 151.6 | -170.6 | 60.2 | 0 | 0 | 0 | 109.5 | ||||
| 187 | D | 28.5 | Very low | 32.7 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | trans | -72 | 143.4 | 159.2 | -148.4 | 1.2 | 0 | 0 | 0 | 106.4 | ||||
| 188 | Q | 29.2 | Very low | 33.1 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | 164.1 | 156.1 | 61.9 | -167.7 | 159.8 | 85.1 | 0 | 0 | 107.5 | |||||
| 189 | S | 27.4 | Very low | 33.4 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 69.5 | 131.5 | 155 | 165.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 190 | T | 31.1 | Very low | 33.4 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | cis | -171.9 | 148.4 | 31.4 | 17.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 191 | E | 30.4 | Very low | 33.5 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 45.9 | 127.2 | 140 | -62.3 | -64.7 | 141.5 | 0 | 0 | 121.7 | ||||
| 192 | T | 31.4 | Very low | 33.3 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | 169 | 127.2 | 109 | 39.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 193 | F | 31 | Very low | 33.9 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | trans | 81.1 | 109.4 | 135.6 | -80.7 | -110.8 | 0 | 0 | 0 | 124.6 | ||||
| 194 | L | 34.3 | Very low | 34 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | 52 | 122.9 | 128.3 | -54.2 | -176.1 | 0 | 0 | 0 | 121.8 | |||||
| 195 | H | 36.1 | Very low | 34.5 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | -178.3 | 113.5 | 100.3 | -106.3 | -92.7 | 0 | 0 | 0 | 111.5 | |||||
| 196 | V | 37.6 | Very low | 34.9 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | -89.4 | 122.5 | 163.3 | 159 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 197 | S | 32.2 | Very low | 35.2 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | -115.4 | 112.4 | 170.7 | -73.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 198 | H | 38.9 | Very low | 35.5 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -69.4 | 128.7 | 164.6 | -61.6 | -90.2 | 0 | 0 | 0 | 109.2 | ||||
| 199 | S | 37.2 | Very low | 35.7 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -117.3 | 103.8 | 167.3 | -166.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 200 | S | 36.9 | Very low | 36.6 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -81.1 | 137 | 177.5 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 201 | S | 38.9 | Very low | 37.1 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -107.9 | 97.7 | 171.1 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 202 | D | 35.5 | Very low | 37.4 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -75.7 | 115.2 | 168.4 | -95.8 | -46.5 | 0 | 0 | 0 | 110.3 | ||||
| 203 | I | 46.3 | Very low | 37.6 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -102.1 | 102.2 | 166.4 | -61 | 171.3 | 0 | 0 | 0 | 107.8 | K205 | I203-K205 PolarHBondContact O-N 3.22Å; I203-K205 VanDerWaalsContact O-N 3.15Å | ||
| 204 | R | 41 | Very low | 37.6 | Very low | 239 Ų | 239 | 144.6 Ų | 144.6 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -69.3 | 104 | 166.4 | -65.1 | -170.9 | -125.6 | -165.2 | 1.1 | 109 | ||||
| 205 | K | 41.7 | Very low | 37.9 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 118.7 | 161.8 | -96.6 | 178.3 | 175.8 | 176.1 | 0 | 109 | I203 | I203-K205 PolarHBondContact O-N 3.22Å; I203-K205 VanDerWaalsContact O-N 3.15Å |
| 206 | V | 36.9 | Very low | 38.3 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 141.5 | 173.6 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 207 | T | 37.3 | Very low | 38 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 147.2 | -174.8 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 208 | S | 34.3 | Very low | 38.3 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | trans | -161.3 | 141.6 | 134.9 | 62 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 209 | A | 34.3 | Very low | 38.1 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -91.1 | 155.8 | -157.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 210 | K | 44.9 | Very low | 38 | Very low | 206 Ų | 206 | 140.3 Ų | 140.3 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | 175.7 | 144.1 | 118.4 | -88.9 | 150.4 | -173 | 176.8 | 0 | 111.5 | |||||
| 211 | P | 42.8 | Very low | 38.2 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -107.3 | 146.8 | -168.5 | 38.1 | -28.7 | 0 | 0 | 0 | 113.6 | ||||
| 212 | L | 36.4 | Very low | 38.5 | Very low | 177 Ų | 177 | 140.4 Ų | 140.4 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | trans | -142.7 | 123.8 | 161.4 | -71.4 | 176.1 | 0 | 0 | 0 | 111.9 | ||||
| 213 | K | 35.2 | Very low | 39.1 | Very low | 206 Ų | 206 | 139.4 Ų | 139.4 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -2.7 | 133.7 | 156.1 | -91.8 | 168.8 | 166.3 | 173.6 | 0 | 119.1 | ||||
| 214 | A | 31.2 | Very low | 39.5 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | 159.5 | 126.9 | 101.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 215 | I | 40.3 | Very low | 40.3 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | 67.3 | 133.5 | 136.7 | -53.6 | 172.3 | 0 | 0 | 0 | 121.2 | ||||
| 216 | P | 45.4 | Very low | 40.6 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | trans | -97.1 | 157.9 | -179.9 | 39.2 | -33.4 | 0 | 0 | 0 | 113.8 | ||||
| 217 | C | 30.1 | Very low | 40.8 | Very low | 117 Ų | 117 | 134 Ų | 134 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | 162.3 | 136.9 | 123.9 | -97.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 218 | S | 38 | Very low | 40.9 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | 62.8 | 115.9 | 139.3 | -57.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 219 | S | 35.4 | Very low | 41.1 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | 156.7 | 142.3 | 89 | -168.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 220 | S | 36 | Very low | 41.4 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 96 | 85.3 | 146.4 | -157.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 221 | A | 39.8 | Very low | 41 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 54.4 | 161.4 | 131.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 222 | P | 46.5 | Very low | 40.4 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | cis | -122.9 | 176.3 | -9.7 | 33.5 | -13.2 | 0 | 0 | 0 | 114.3 | ||||
| 223 | P | 46.6 | Very low | 40.4 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 146.9 | -165.5 | 35.3 | -32.5 | 0 | 0 | 0 | 115.6 | ||
| 224 | L | 55.9 | Low | 40.2 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 152.6 | 173.1 | -69.9 | 167.3 | 0 | 0 | 0 | 112 | ||
| 225 | P | 57.5 | Low | 40.2 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73 | 153.1 | -176.7 | 29.1 | -34.8 | 0 | 0 | 0 | 114 | ||
| 226 | P | 48.2 | Very low | 39.9 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 140.1 | -170.2 | 31.1 | -34.6 | 0 | 0 | 0 | 114.2 | ||
| 227 | K | 41.8 | Very low | 39.2 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 142.1 | 167.6 | -74.4 | 173.7 | 177.1 | 171.4 | 0 | 110.9 | ||
| 228 | P | 39.4 | Very low | 39 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73 | 139.1 | 178.8 | 28.6 | -32.8 | 0 | 0 | 0 | 112.3 | ||
| 229 | K | 37.9 | Very low | 39.3 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 133.9 | 171.1 | -64.4 | 173.4 | -179.6 | 176.4 | 0 | 108.9 | ||
| 230 | I | 40.7 | Very low | 38.9 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -131.2 | 135.7 | 153.8 | -60.3 | -179.3 | 0 | 0 | 0 | 108.6 | ||||
| 231 | T | 36 | Very low | 39 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -79.8 | 154.4 | -164.6 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 232 | A | 30.9 | Very low | 38.7 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -49.3 | 160.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 233 | I | 35.5 | Very low | 37.9 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -154.8 | 134.6 | 134.9 | -88.8 | 137.9 | 0 | 0 | 0 | 108.7 | ||||
| 234 | A | 31.7 | Very low | 37.4 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -78 | 158.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 235 | T | 31.2 | Very low | 36.5 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | 163.9 | 131.5 | 120.3 | 43 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 236 | L | 33.2 | Very low | 35.4 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | 62.5 | 120.3 | 133.9 | -61 | 167.1 | 0 | 0 | 0 | 121.3 | ||||
| 237 | K | 30 | Very low | 34.5 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | 128.7 | 119.4 | 111.1 | -152.1 | 139.8 | -178.2 | -179.1 | 0 | 115.3 | |||||
| 238 | S | 26.5 | Very low | 34.3 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -64.5 | 157.7 | 159 | -162.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 239 | P | 44.3 | Very low | 34 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | -145.8 | 139.7 | 82.8 | 32 | -11.2 | 0 | 0 | 0 | 116.5 | |||||
| 240 | E | 27.3 | Very low | 34.1 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | 20 | 131.9 | 120.3 | -159.4 | 171.8 | -161.5 | 0 | 0 | 120.1 | |||||
| 241 | I | 38.7 | Very low | 34.5 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | trans | -171.4 | 144.5 | 135.5 | -86.9 | 146.4 | 0 | 0 | 0 | 109.7 | ||||
| 242 | E | 32 | Very low | 35.2 | Very low | 154 Ų | 154 | 135 Ų | 135 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -88.2 | 171.5 | -159 | -51.4 | 177 | 122.7 | 0 | 0 | 118.1 | ||||
| 243 | T | 30.3 | Very low | 36.3 | Very low | 124 Ų | 124 | 142 Ų | 142 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | 68.4 | 134 | 149.9 | 47.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 244 | V | 35.6 | Very low | 36.9 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | -163.1 | 146.1 | 57.6 | 179.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 245 | E | 37.6 | Very low | 37.8 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -73.9 | 148.8 | 173.1 | -65.7 | -159.9 | 146.5 | 0 | 0 | 114.3 | ||||
| 246 | S | 33.9 | Very low | 38.9 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | trans | -166.8 | 126.7 | 147.8 | -163.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 247 | G | 29.7 | Very low | 39.9 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 98.3 | 105.5 | 130.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 248 | C | 36.9 | Very low | 41.3 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -50.3 | 138.3 | 166 | -179.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 249 | G | 34 | Very low | 42.9 | Very low | 71 Ų | 71 | 145.1 Ų | 145.1 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | -162.6 | 88.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 250 | V | 39.6 | Very low | 43.7 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | trans | 19.8 | 112.4 | 151.4 | -173.8 | 0 | 0 | 0 | 0 | 118.1 | R252 | V250-R252 HydrophobicContact CG1-CG 4.09Å; V250-R252 PolarHBondContact O-N 3.17Å | ||
| 251 | S | 50.2 | Low | 45.3 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -48.8 | 104.4 | 157.8 | 161.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 252 | R | 49.7 | Very low | 46.6 | Very low | 227 Ų | 227 | 139.5 Ų | 139.5 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -123.7 | 124.2 | 155.2 | -64.6 | -152.4 | -150.8 | -162.1 | 9.7 | 109.4 | V250 | V250-R252 HydrophobicContact CG1-CG 4.09Å; V250-R252 PolarHBondContact O-N 3.17Å | ||
| 253 | R | 54.5 | Low | 48.3 | Very low | 233 Ų | 233 | 138 Ų | 138 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 142.7 | -177 | -59.8 | -175.3 | -175.8 | 177.3 | 1.2 | 112.5 | S255 | R253-S255 PolarHBondContact O-N 3.23Š|
| 254 | P | 47.2 | Very low | 50 | Low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 121.7 | 162.4 | -15.8 | 29.3 | 0 | 0 | 0 | 108.4 | L256 | P254-L256 PolarHBondContact O-N 3.23Š|
| 255 | S | 51.9 | Low | 51.5 | Low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 122.3 | 167.6 | 42.8 | 0 | 0 | 0 | 0 | 107.9 | R253 Q257 | R253-S255 PolarHBondContact O-N 3.23Å; S255-Q257 PolarHBondContact O-N 3.3Å |
| 256 | L | 54.7 | Low | 53.1 | Low | 169 Ų | 169 | 129.5 Ų | 129.5 | 89% | 0.885 | 71% | 0.709 | S | S | * | * | trans | -58.1 | 98 | 176.8 | -81.3 | 155.6 | 0 | 0 | 0 | 108.9 | P254 R258 | P254-L256 PolarHBondContact O-N 3.23Å; L256-R258 PolarHBondContact O-N 3.33Å | ||
| 257 | Q | 54.2 | Low | 54.4 | Low | 187 Ų | 187 | 132.5 Ų | 132.5 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | trans | -61.3 | 99.6 | 152.9 | -78.7 | -159.8 | -22.3 | 0 | 0 | 106.3 | S255 S259 | S255-Q257 PolarHBondContact O-N 3.3Å; Q257-S259 VanDerWaalsContact C-N 3.29Å; Q257-S259 PolarHBondContact O-N 3.29Å | ||
| 258 | R | 58.2 | Low | 56.2 | Low | 218 Ų | 218 | 136.1 Ų | 136.1 | 82% | 0.823 | 70% | 0.698 | S | S | * | * | trans | -64.4 | 94.8 | 172.5 | -166.1 | 174.5 | 176.7 | 163 | -0.5 | 106.7 | L256 K260 | L256-R258 PolarHBondContact O-N 3.33Å; R258-K260 PolarHBondContact O-N 2.98Å | ||
| 259 | S | 59.5 | Low | 57.7 | Low | 77 Ų | 77 | 137.8 Ų | 137.8 | 54% | 0.538 | 68% | 0.684 | S | S | . | * | trans | -49.3 | 134.5 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | Q257 S261 | Q257-S259 VanDerWaalsContact C-N 3.29Å; Q257-S259 PolarHBondContact O-N 3.29Å; S259-S261 PolarHBondContact O-N 2.9Å; S259-S261 PolarHBondContact OG-OG 2.89Å | ||
| 260 | K | 61.3 | Low | 59.5 | Low | 205 Ų | 205 | 138.8 Ų | 138.8 | 89% | 0.891 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 2.6 | 178.7 | -70.2 | -176.9 | 176.5 | 169.5 | 0 | 113.7 | R258 | R258-K260 PolarHBondContact O-N 2.98Š|
| 261 | S | 61.7 | Low | 60.9 | Low | 46 Ų | 46 | 138 Ų | 138 | 32% | 0.322 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -80.3 | -17.9 | -177.3 | 56.8 | 0 | 0 | 0 | 0 | 114.8 | S259 L263 S264 D265 | S259-S261 PolarHBondContact O-N 2.9Å; S259-S261 PolarHBondContact OG-OG 2.89Å; S261-L263 PolarHBondContact O-N 3.16Å; S261-S264 PolarHBondContact O-N 2.95Å; S261-S264 PolarHBondContact O-OG 3.43Å; S261-S264 VanDerWaalsContact O-OG 3.07Å; S261-D265 VanDerWaalsContact O-CB 3.25Å; S261-D265 WeakPolarHBondContact O-CB 3.47Å; S261-D265 PolarHBondContact O-N 2.96Å |
| 262 | D | 66.5 | Low | 62.1 | Low | 84 Ų | 84 | 134.7 Ų | 134.7 | 45% | 0.449 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69.9 | -20.3 | -174 | -162.7 | 31 | 0 | 0 | 0 | 113.5 | R266 | D262-R266 VanDerWaalsContact O-CG 3.27Å; D262-R266 WeakPolarHBondContact O-CG 3.5Å; D262-R266 PolarHBondContact O-NE 2.89Å |
| 263 | L | 67.3 | Low | 63.4 | Low | 122 Ų | 122 | 128.4 Ų | 128.4 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -87 | -43.8 | 175.7 | -114.9 | 156.2 | 0 | 0 | 0 | 111.8 | S261 Y267 | S261-L263 PolarHBondContact O-N 3.16Å; L263-Y267 PolarHBondContact O-N 2.85Å |
| 264 | S | 65.2 | Low | 64.6 | Low | 49 Ų | 49 | 120.4 Ų | 120.4 | 34% | 0.343 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.5 | -43.9 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | S261 R266 Y267 F268 | S261-S264 PolarHBondContact O-N 2.95Å; S261-S264 PolarHBondContact O-OG 3.43Å; S261-S264 VanDerWaalsContact O-OG 3.07Å; S264-R266 VanDerWaalsContact C-N 3.25Å; S264-R266 PolarHBondContact O-N 3.24Å; S264-Y267 PolarHBondContact O-N 2.96Å; S264-F268 VanDerWaalsContact O-CD2 3.27Å; S264-F268 WeakPolarHBondContact O-CD2 3.24Å; S264-F268 PolarHBondContact O-N 3.22Å |
| 265 | D | 68.6 | Low | 66.2 | Low | 75 Ų | 75 | 119.6 Ų | 119.6 | 40% | 0.401 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.5 | -33.5 | -177.6 | -73.4 | -8.8 | 0 | 0 | 0 | 112 | S261 R269 | S261-D265 VanDerWaalsContact O-CB 3.25Å; S261-D265 WeakPolarHBondContact O-CB 3.47Å; S261-D265 PolarHBondContact O-N 2.96Å; D265-R269 WeakPolarHBondContact O-CB 3.27Å; D265-R269 WeakPolarHBondContact O-CD 3.5Å; D265-R269 WeakPolarHBondContact O-CG 3.2Å; D265-R269 PolarHBondContact O-N 3.35Å |
| 266 | R | 71.2 | Confident | 67.7 | Low | 148 Ų | 148 | 122.5 Ų | 122.5 | 56% | 0.558 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.3 | -36.6 | 174.4 | -69.4 | -171.1 | -58.3 | 178.9 | 9.6 | 112 | D262 S264 V270 | D262-R266 VanDerWaalsContact O-CG 3.27Å; D262-R266 WeakPolarHBondContact O-CG 3.5Å; D262-R266 PolarHBondContact O-NE 2.89Å; S264-R266 VanDerWaalsContact C-N 3.25Å; S264-R266 PolarHBondContact O-N 3.24Å; R266-V270 WeakPolarHBondContact O-CG2 3.15Å; R266-V270 PolarHBondContact O-N 2.88Å |
| 267 | Y | 61.6 | Low | 68.9 | Low | 189 Ų | 189 | 120.3 Ų | 120.3 | 74% | 0.741 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.3 | -44.4 | 176.4 | -129.4 | -91 | 0 | 0 | 0 | 111.8 | L263 S264 R269 V270 D271 | L263-Y267 PolarHBondContact O-N 2.85Å; S264-Y267 PolarHBondContact O-N 2.96Å; Y267-R269 PolarHBondContact O-N 3.26Å; Y267-V270 PolarHBondContact O-N 2.77Å; Y267-D271 PolarHBondContact O-N 3.24Å |
| 268 | F | 66.1 | Low | 70.1 | Confident | 149 Ų | 149 | 114.4 Ų | 114.4 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.1 | -37.7 | 177.7 | -85.9 | -73.1 | 0 | 0 | 0 | 113.1 | S264 A272 | S264-F268 VanDerWaalsContact O-CD2 3.27Å; S264-F268 WeakPolarHBondContact O-CD2 3.24Å; S264-F268 PolarHBondContact O-N 3.22Å; F268-A272 VanDerWaalsContact O-CB 3.25Å; F268-A272 WeakPolarHBondContact O-CB 3.38Å; F268-A272 PolarHBondContact O-N 3.15Å |
| 269 | R | 69.5 | Low | 71.1 | Confident | 173 Ų | 173 | 108.4 Ų | 108.4 | 65% | 0.653 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.9 | -41.3 | 175.1 | -75 | 170.5 | -174.5 | -83.6 | -1.5 | 112.1 | D265 Y267 D273 | D265-R269 WeakPolarHBondContact O-CB 3.27Å; D265-R269 WeakPolarHBondContact O-CD 3.5Å; D265-R269 WeakPolarHBondContact O-CG 3.2Å; D265-R269 PolarHBondContact O-N 3.35Å; Y267-R269 PolarHBondContact O-N 3.26Å; R269-D273 VanDerWaalsContact O-CB 3.25Å; R269-D273 WeakPolarHBondContact O-CB 3.37Å; R269-D273 PolarHBondContact O-N 3.01Å |
| 270 | V | 71.5 | Confident | 71.8 | Confident | 92 Ų | 92 | 114.5 Ų | 114.5 | 56% | 0.558 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.5 | -44.8 | 179 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | R266 Y267 D273 V274 | R266-V270 WeakPolarHBondContact O-CG2 3.15Å; R266-V270 PolarHBondContact O-N 2.88Å; Y267-V270 PolarHBondContact O-N 2.77Å; V270-D273 PolarHBondContact O-N 2.86Å; V270-V274 HydrophobicContact CG1-CG2 4.42Å; V270-V274 WeakPolarHBondContact O-CB 3.14Å; V270-V274 WeakPolarHBondContact O-CG2 3.34Å; V270-V274 PolarHBondContact O-N 3.45Å |
| 271 | D | 69.3 | Low | 72.5 | Confident | 101 Ų | 101 | 107.8 Ų | 107.8 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 178 | -161.7 | 49.8 | 0 | 0 | 0 | 111.5 | Y267 D273 V274 E275 | Y267-D271 PolarHBondContact O-N 3.24Å; D271-D273 VanDerWaalsContact C-N 3.35Å; D271-D273 PolarHBondContact O-N 2.87Å; D271-V274 PolarHBondContact O-N 3.05Å; D271-E275 WeakPolarHBondContact O-CB 3.27Å; D271-E275 PolarHBondContact O-N 3.38Å |
| 272 | A | 75.6 | Confident | 73.2 | Confident | 50 Ų | 50 | 108.4 Ų | 108.4 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F268 R276 | F268-A272 VanDerWaalsContact O-CB 3.25Å; F268-A272 WeakPolarHBondContact O-CB 3.38Å; F268-A272 PolarHBondContact O-N 3.15Å; A272-R276 WeakPolarHBondContact O-CB 3.46Å; A272-R276 PolarHBondContact O-N 3.34Å |
| 273 | D | 76.5 | Confident | 73.2 | Confident | 95 Ų | 95 | 108.2 Ų | 108.2 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72 | -35.3 | 176.5 | -84 | -29.1 | 0 | 0 | 0 | 111.9 | R269 V270 D271 R276 F277 | R269-D273 VanDerWaalsContact O-CB 3.25Å; R269-D273 WeakPolarHBondContact O-CB 3.37Å; R269-D273 PolarHBondContact O-N 3.01Å; V270-D273 PolarHBondContact O-N 2.86Å; D271-D273 VanDerWaalsContact C-N 3.35Å; D271-D273 PolarHBondContact O-N 2.87Å; D273-R276 IonicContact OD1-NH1 3.87Å; D273-F277 WeakPolarHBondContact O-CB 3.49Å; D273-F277 PolarHBondContact O-N 3.07Å |
| 274 | V | 79.4 | Confident | 73.4 | Confident | 65 Ų | 65 | 106 Ų | 106 | 39% | 0.394 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.6 | -48.2 | 174.5 | 170.6 | 0 | 0 | 0 | 0 | 110.1 | V270 D271 R276 F277 F278 | V270-V274 HydrophobicContact CG1-CG2 4.42Å; V270-V274 WeakPolarHBondContact O-CB 3.14Å; V270-V274 WeakPolarHBondContact O-CG2 3.34Å; V270-V274 PolarHBondContact O-N 3.45Å; D271-V274 PolarHBondContact O-N 3.05Å; V274-R276 VanDerWaalsContact C-N 3.34Å; V274-R276 PolarHBondContact O-N 3.47Å; V274-F277 WeakPolarHBondContact O-CB 2.96Å; V274-F277 PolarHBondContact O-N 3.16Å; V274-F277 VanDerWaalsContact O-N 3.16Å; V274-F278 HydrophobicContact CG1-CD2 3.67Å; V274-F278 HydrophobicContact CG1-CE2 3.29Å; V274-F278 HydrophobicContact CG1-CZ 4.39Å; V274-F278 WeakPolarHBondContact O-CD2 3.38Å; V274-F278 PolarHBondContact O-N 3.46Å |
| 275 | E | 80.5 | Confident | 73.3 | Confident | 106 Ų | 106 | 107.1 Ų | 107.1 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 175.7 | -166.7 | -173 | 175 | 0 | 0 | 111.2 | D271 F277 F278 N279 | D271-E275 WeakPolarHBondContact O-CB 3.27Å; D271-E275 PolarHBondContact O-N 3.38Å; E275-F277 VanDerWaalsContact C-N 3.34Å; E275-F277 PolarHBondContact O-N 3.04Å; E275-F278 PolarHBondContact O-N 3.15Å; E275-N279 VanDerWaalsContact O-CB 3.29Å; E275-N279 WeakPolarHBondContact O-CB 3.28Å; E275-N279 VanDerWaalsContact O-CG 3.22Å; E275-N279 PolarHBondContact O-N 3.23Å; E275-N279 PolarHBondContact O-ND2 3.3Å; E275-N279 VanDerWaalsContact O-ND2 3.12Å |
| 276 | R | 84.2 | Confident | 73 | Confident | 173 Ų | 173 | 110 Ų | 110 | 65% | 0.653 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -35.6 | 175.5 | 178.4 | 173.2 | 154.9 | -89.7 | -8.4 | 112.9 | A272 D273 V274 Y280 | A272-R276 WeakPolarHBondContact O-CB 3.46Å; A272-R276 PolarHBondContact O-N 3.34Å; D273-R276 IonicContact OD1-NH1 3.87Å; V274-R276 VanDerWaalsContact C-N 3.34Å; V274-R276 PolarHBondContact O-N 3.47Å; R276-Y280 VanDerWaalsContact O-CB 3.25Å; R276-Y280 WeakPolarHBondContact O-CB 3.39Å; R276-Y280 PolarHBondContact O-N 3Å |
| 277 | F | 78.3 | Confident | 72.5 | Confident | 123 Ų | 123 | 108.4 Ų | 108.4 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 175.2 | 171 | -95.9 | 0 | 0 | 0 | 111.3 | D273 V274 E275 Y280 C281 | D273-F277 WeakPolarHBondContact O-CB 3.49Å; D273-F277 PolarHBondContact O-N 3.07Å; V274-F277 WeakPolarHBondContact O-CB 2.96Å; V274-F277 PolarHBondContact O-N 3.16Å; V274-F277 VanDerWaalsContact O-N 3.16Å; E275-F277 VanDerWaalsContact C-N 3.34Å; E275-F277 PolarHBondContact O-N 3.04Å; F277-Y280 PolarHBondContact O-N 2.99Å; F277-C281 PolarHBondContact O-N 3.07Å; F277-C281 PolarHBondContact O-SG 3.17Å |
| 278 | F | 79.6 | Confident | 72.4 | Confident | 62 Ų | 62 | 102 Ų | 102 | 27% | 0.272 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 177.4 | -70.4 | -58.8 | 0 | 0 | 0 | 111.8 | V274 E275 Y280 C281 G282 L283 | V274-F278 HydrophobicContact CG1-CD2 3.67Å; V274-F278 HydrophobicContact CG1-CE2 3.29Å; V274-F278 HydrophobicContact CG1-CZ 4.39Å; V274-F278 WeakPolarHBondContact O-CD2 3.38Å; V274-F278 PolarHBondContact O-N 3.46Å; E275-F278 PolarHBondContact O-N 3.15Å; F278-Y280 VanDerWaalsContact C-N 3.31Å; F278-Y280 PolarHBondContact O-N 3.39Å; F278-C281 CarbonylContact O-C 3.44Å; F278-C281 WeakPolarHBondContact O-CA 3.18Å; F278-C281 PolarHBondContact O-N 3.23Å; F278-G282 PolarHBondContact O-N 3.5Å; F278-L283 CarbonylContact C-O 3.4Å; F278-L283 HydrophobicContact CB-CB 4.27Å; F278-L283 WeakPolarHBondContact CB-O 3.27Å; F278-L283 HydrophobicContact CD1-CB 4.15Å; F278-L283 HydrophobicContact CD1-CD1 3.98Å; F278-L283 HydrophobicContact CE1-CD1 4.47Å; F278-L283 PolarHBondContact O-N 2.87Å |
| 279 | N | 79.8 | Confident | 72.3 | Confident | 93 Ų | 93 | 101.4 Ų | 101.4 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 172.2 | -75.5 | -33.5 | 0 | 0 | 0 | 112.5 | E275 C281 G282 | E275-N279 VanDerWaalsContact O-CB 3.29Å; E275-N279 WeakPolarHBondContact O-CB 3.28Å; E275-N279 VanDerWaalsContact O-CG 3.22Å; E275-N279 PolarHBondContact O-N 3.23Å; E275-N279 PolarHBondContact O-ND2 3.3Å; E275-N279 VanDerWaalsContact O-ND2 3.12Å; N279-C281 VanDerWaalsContact C-N 3.3Å; N279-C281 PolarHBondContact O-N 3.32Å; N279-G282 PolarHBondContact O-N 2.66Å; N279-G282 VanDerWaalsContact O-N 3.12Å |
| 280 | Y | 73.6 | Confident | 71.7 | Confident | 205 Ų | 205 | 99.8 Ų | 99.8 | 80% | 0.804 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -33.5 | 174.3 | 177.9 | -101.3 | 0 | 0 | 0 | 112.6 | R276 F277 F278 G282 | R276-Y280 VanDerWaalsContact O-CB 3.25Å; R276-Y280 WeakPolarHBondContact O-CB 3.39Å; R276-Y280 PolarHBondContact O-N 3Å; F277-Y280 PolarHBondContact O-N 2.99Å; F278-Y280 VanDerWaalsContact C-N 3.31Å; F278-Y280 PolarHBondContact O-N 3.39Å; Y280-G282 VanDerWaalsContact C-N 3.27Å |
| 281 | C | 76.8 | Confident | 71.1 | Confident | 63 Ų | 63 | 101.1 Ų | 101.1 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -81 | -6.5 | 174.7 | -62 | 0 | 0 | 0 | 0 | 113.1 | F277 F278 N279 L283 | F277-C281 PolarHBondContact O-N 3.07Å; F277-C281 PolarHBondContact O-SG 3.17Å; F278-C281 CarbonylContact O-C 3.44Å; F278-C281 WeakPolarHBondContact O-CA 3.18Å; F278-C281 PolarHBondContact O-N 3.23Å; N279-C281 VanDerWaalsContact C-N 3.3Å; N279-C281 PolarHBondContact O-N 3.32Å; C281-L283 VanDerWaalsContact C-N 3.32Å; C281-L283 HydrophobicContact CB-CD1 4.03Å; C281-L283 HydrophobicContact CB-CG 4.07Å |
| 282 | G | 75.6 | Confident | 70.2 | Confident | 59 Ų | 59 | 96.5 Ų | 96.5 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 30.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F278 N279 Y280 | F278-G282 PolarHBondContact O-N 3.5Å; N279-G282 PolarHBondContact O-N 2.66Å; N279-G282 VanDerWaalsContact O-N 3.12Å; Y280-G282 VanDerWaalsContact C-N 3.27Å |
| 283 | L | 67.2 | Low | 69 | Low | 80 Ų | 80 | 98.9 Ų | 98.9 | 42% | 0.419 | 50% | 0.499 | S | S | . | . | trans | -102.9 | 116.8 | 176.4 | -62.5 | 173.8 | 0 | 0 | 0 | 108.2 | F278 C281 | F278-L283 CarbonylContact C-O 3.4Å; F278-L283 HydrophobicContact CB-CB 4.27Å; F278-L283 WeakPolarHBondContact CB-O 3.27Å; F278-L283 HydrophobicContact CD1-CB 4.15Å; F278-L283 HydrophobicContact CD1-CD1 3.98Å; F278-L283 HydrophobicContact CE1-CD1 4.47Å; F278-L283 PolarHBondContact O-N 2.87Å; C281-L283 VanDerWaalsContact C-N 3.32Å; C281-L283 HydrophobicContact CB-CD1 4.03Å; C281-L283 HydrophobicContact CB-CG 4.07Å | ||
| 284 | D | 72.1 | Confident | 68 | Low | 77 Ų | 77 | 100.5 Ų | 100.5 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | trans | -83 | 135.2 | 177.3 | -165.3 | -5.6 | 0 | 0 | 0 | 109.5 | E286 E287 L288 | D284-E286 PolarHBondContact O-N 3.23Å; D284-E286 VanDerWaalsContact O-N 3.14Å; D284-E287 HydrophobicContact CB-CG 4.19Å; D284-E287 WeakPolarHBondContact O-CB 3.27Å; D284-E287 PolarHBondContact O-N 3.48Å; D284-L288 PolarHBondContact O-N 3.26Å | ||
| 285 | P | 63 | Low | 66.7 | Low | 72 Ų | 72 | 102.3 Ų | 102.3 | 47% | 0.468 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -48.1 | -32.6 | 171.1 | 15.5 | -33 | 0 | 0 | 0 | 114.7 | L288 E289 | P285-L288 WeakPolarHBondContact O-CB 3.25Å; P285-L288 PolarHBondContact O-N 3Å; P285-E289 PolarHBondContact O-N 2.89Å |
| 286 | E | 61.9 | Low | 65.3 | Low | 135 Ų | 135 | 103.5 Ų | 103.5 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 175.6 | -69.5 | -175 | 172.5 | 0 | 0 | 111.9 | D284 L288 E289 N290 | D284-E286 PolarHBondContact O-N 3.23Å; D284-E286 VanDerWaalsContact O-N 3.14Å; E286-L288 VanDerWaalsContact C-N 3.25Å; E286-L288 PolarHBondContact O-N 3.45Å; E286-E289 PolarHBondContact O-N 3.47Å; E286-N290 PolarHBondContact O-N 2.97Å; E286-N290 VanDerWaalsContact O-N 3.17Å; E286-N290 PolarHBondContact O-OD1 3.07Å |
| 287 | E | 60.7 | Low | 63.6 | Low | 115 Ų | 115 | 100 Ų | 100 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.5 | -27 | 176.5 | -66.5 | -173.6 | 171.2 | 0 | 0 | 112.7 | D284 L291 | D284-E287 HydrophobicContact CB-CG 4.19Å; D284-E287 WeakPolarHBondContact O-CB 3.27Å; D284-E287 PolarHBondContact O-N 3.48Å; E287-L291 PolarHBondContact O-N 3.01Å |
| 288 | L | 60.5 | Low | 62.1 | Low | 54 Ų | 54 | 104.3 Ų | 104.3 | 28% | 0.283 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.8 | -33.8 | 177.1 | -172.5 | 65.3 | 0 | 0 | 0 | 112 | D284 P285 E286 L291 G292 F296 | D284-L288 PolarHBondContact O-N 3.26Å; P285-L288 WeakPolarHBondContact O-CB 3.25Å; P285-L288 PolarHBondContact O-N 3Å; E286-L288 VanDerWaalsContact C-N 3.25Å; E286-L288 PolarHBondContact O-N 3.45Å; L288-L291 PolarHBondContact O-N 2.85Å; L288-G292 PolarHBondContact O-N 3.27Å; L288-F296 HydrophobicContact CD1-CD2 4.27Å; L288-F296 HydrophobicContact CD1-CE1 4.05Å; L288-F296 HydrophobicContact CD1-CE2 3.42Å; L288-F296 VanDerWaalsContact CD1-CE2 3.42Å; L288-F296 HydrophobicContact CD1-CZ 3.29Å; L288-F296 HydrophobicContact CG-CE2 4.35Å |
| 289 | E | 62.1 | Low | 60.6 | Low | 137 Ų | 137 | 104.7 Ų | 104.7 | 64% | 0.64 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.8 | -37.8 | 173 | -168.4 | 164.2 | -169.6 | 0 | 0 | 111 | P285 E286 L291 G292 M293 | P285-E289 PolarHBondContact O-N 2.89Å; E286-E289 PolarHBondContact O-N 3.47Å; E289-L291 VanDerWaalsContact C-N 3.32Å; E289-L291 PolarHBondContact O-N 3.48Å; E289-G292 PolarHBondContact O-N 3.04Å; E289-M293 HydrophobicContact CB-CE 3.63Å; E289-M293 HydrophobicContact CG-CE 3.82Å |
| 290 | N | 57.4 | Low | 59.3 | Low | 139 Ų | 139 | 106.1 Ų | 106.1 | 74% | 0.743 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.5 | -23.5 | 174.8 | -66.6 | 113.9 | 0 | 0 | 0 | 114.4 | E286 G292 | E286-N290 PolarHBondContact O-N 2.97Å; E286-N290 VanDerWaalsContact O-N 3.17Å; E286-N290 PolarHBondContact O-OD1 3.07Å; N290-G292 VanDerWaalsContact C-N 3.33Å |
| 291 | L | 58.6 | Low | 58.1 | Low | 120 Ų | 120 | 102 Ų | 102 | 63% | 0.628 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 2.6 | 175.1 | -114.7 | 67.8 | 0 | 0 | 0 | 113.8 | E287 L288 E289 | E287-L291 PolarHBondContact O-N 3.01Å; L288-L291 PolarHBondContact O-N 2.85Å; E289-L291 VanDerWaalsContact C-N 3.32Å; E289-L291 PolarHBondContact O-N 3.48Å |
| 292 | G | 51.3 | Low | 56.8 | Low | 3 Ų | 3 | 104.3 Ų | 104.3 | 3% | 0.031 | 57% | 0.567 | C | S | . | * | trans | 80.5 | 95.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L288 E289 N290 E294 N295 F296 | L288-G292 PolarHBondContact O-N 3.27Å; E289-G292 PolarHBondContact O-N 3.04Å; N290-G292 VanDerWaalsContact C-N 3.33Å; G292-E294 VanDerWaalsContact CA-OE1 3.24Å; G292-E294 WeakPolarHBondContact CA-OE1 3.45Å; G292-E294 WeakPolarHBondContact CA-OE2 3.41Å; G292-E294 PolarHBondContact O-N 3.28Å; G292-N295 PolarHBondContact O-N 2.88Å; G292-F296 VanDerWaalsContact O-CD2 3.31Å; G292-F296 WeakPolarHBondContact O-CD2 3.38Å | ||
| 293 | M | 50.9 | Low | 55.7 | Low | 101 Ų | 101 | 109 Ų | 109 | 50% | 0.498 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -53.7 | -23 | 166.5 | -70.5 | -169.2 | -141.8 | 0 | 0 | 111.9 | E289 N295 F296 | E289-M293 HydrophobicContact CB-CE 3.63Å; E289-M293 HydrophobicContact CG-CE 3.82Å; M293-N295 VanDerWaalsContact C-N 3.28Å; M293-N295 PolarHBondContact O-N 3.45Å; M293-F296 PolarHBondContact O-N 3.21Å |
| 294 | E | 54.9 | Low | 55 | Low | 129 Ų | 129 | 112.5 Ų | 112.5 | 60% | 0.603 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.4 | -19 | 175.5 | 62.5 | -85.2 | -177 | 0 | 0 | 115.4 | G292 | G292-E294 VanDerWaalsContact CA-OE1 3.24Å; G292-E294 WeakPolarHBondContact CA-OE1 3.45Å; G292-E294 WeakPolarHBondContact CA-OE2 3.41Å; G292-E294 PolarHBondContact O-N 3.28Å |
| 295 | N | 51.7 | Low | 53.9 | Low | 103 Ų | 103 | 113.6 Ų | 113.6 | 55% | 0.551 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -88.6 | -22.3 | 177.7 | -67.5 | -49.3 | 0 | 0 | 0 | 113.1 | G292 M293 | G292-N295 PolarHBondContact O-N 2.88Å; M293-N295 VanDerWaalsContact C-N 3.28Å; M293-N295 PolarHBondContact O-N 3.45Å |
| 296 | F | 51.6 | Low | 53.3 | Low | 130 Ų | 130 | 116.8 Ų | 116.8 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.1 | -31.3 | -179 | -67.9 | -86.3 | 0 | 0 | 0 | 113 | L288 G292 M293 | L288-F296 HydrophobicContact CD1-CD2 4.27Å; L288-F296 HydrophobicContact CD1-CE1 4.05Å; L288-F296 HydrophobicContact CD1-CE2 3.42Å; L288-F296 VanDerWaalsContact CD1-CE2 3.42Å; L288-F296 HydrophobicContact CD1-CZ 3.29Å; L288-F296 HydrophobicContact CG-CE2 4.35Å; G292-F296 VanDerWaalsContact O-CD2 3.31Å; G292-F296 WeakPolarHBondContact O-CD2 3.38Å; M293-F296 PolarHBondContact O-N 3.21Å |
| 297 | A | 47.9 | Very low | 52.4 | Low | 99 Ų | 99 | 114.6 Ų | 114.6 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -14.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 298 | R | 46.4 | Very low | 51.4 | Low | 215 Ų | 215 | 117.3 Ų | 117.3 | 81% | 0.811 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | -12.9 | -169.5 | -171.4 | 163.7 | -106.2 | 113.7 | -2.8 | 115.4 | N300 | R298-N300 PolarHBondContact O-N 3.32Š|
| 299 | A | 49.3 | Very low | 50.3 | Low | 69 Ų | 69 | 124.1 Ų | 124.1 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -99.6 | 91 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 300 | N | 52.2 | Low | 49.1 | Very low | 124 Ų | 124 | 123 Ų | 123 | 66% | 0.663 | 65% | 0.652 | S | S | * | * | trans | 73.7 | 69.7 | 158.9 | -48.8 | -65.7 | 0 | 0 | 0 | 117.2 | R298 D302 | R298-N300 PolarHBondContact O-N 3.32Å; N300-D302 PolarHBondContact O-N 3.39Å | ||
| 301 | S | 47.2 | Very low | 48.3 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 83% | 0.825 | 66% | 0.657 | S | S | * | * | trans | -72.3 | 71.2 | 153.6 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | I303 | S301-I303 VanDerWaalsContact C-N 3.29Š| ||
| 302 | D | 50.9 | Low | 47.1 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 59% | 0.594 | 66% | 0.664 | S | S | * | * | trans | -92.1 | -0 | 172.5 | -48.2 | -12.3 | 0 | 0 | 0 | 111.1 | N300 I304 | N300-D302 PolarHBondContact O-N 3.39Å; D302-I304 PolarHBondContact O-N 3.41Å | ||
| 303 | I | 52.1 | Low | 46.6 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 82% | 0.815 | 71% | 0.707 | S | S | * | * | trans | -80.8 | 72.2 | 173.6 | -47.1 | 176.9 | 0 | 0 | 0 | 107 | S301 S305 | S301-I303 VanDerWaalsContact C-N 3.29Å; I303-S305 PolarHBondContact O-N 3.06Å | ||
| 304 | I | 53.2 | Low | 45.9 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | -58.3 | 109.8 | 159.4 | -59.7 | 175.7 | 0 | 0 | 0 | 104.9 | D302 L306 | D302-I304 PolarHBondContact O-N 3.41Å; I304-L306 PolarHBondContact O-N 2.68Å | ||
| 305 | S | 49.2 | Very low | 45.2 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | -46.1 | 108.9 | 168.4 | 22.6 | 0 | 0 | 0 | 0 | 108 | I303 N307 | I303-S305 PolarHBondContact O-N 3.06Å; S305-N307 PolarHBondContact O-N 2.66Å | ||
| 306 | L | 48.7 | Very low | 44.8 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | trans | -65.4 | 86 | 168.8 | -175.4 | 65.3 | 0 | 0 | 0 | 106.4 | I304 F308 | I304-L306 PolarHBondContact O-N 2.68Å; L306-F308 HydrophobicContact CD2-CD2 4.33Å; L306-F308 HydrophobicContact CD2-CE2 3.7Å; L306-F308 HydrophobicContact CD2-CZ 3.95Å; L306-F308 HydrophobicContact CG-CD2 4.27Å; L306-F308 HydrophobicContact CG-CE2 4.13Å; L306-F308 PolarHBondContact O-N 3.49Å | ||
| 307 | N | 42.7 | Very low | 44 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 48% | 0.476 | 75% | 0.745 | S | S | . | * | trans | -63.7 | 92.2 | 170.5 | 170.5 | 91.7 | 0 | 0 | 0 | 106 | S305 R309 | S305-N307 PolarHBondContact O-N 2.66Å; N307-R309 WeakPolarHBondContact ND2-CD 3.49Å; N307-R309 WeakPolarHBondContact ND2-CG 2.95Å; N307-R309 PolarHBondContact ND2-NE 3.18Å; N307-R309 PolarHBondContact ND2-NH1 2.91Å; N307-R309 PolarHBondContact O-N 2.76Å; N307-R309 PolarHBondContact OD1-NH1 2.94Å; N307-R309 VanDerWaalsContact OD1-NH1 3.08Å | ||
| 308 | F | 39.7 | Very low | 43.9 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | -57.8 | 91.4 | 163.7 | -82.6 | -91.4 | 0 | 0 | 0 | 107 | L306 S310 | L306-F308 HydrophobicContact CD2-CD2 4.33Å; L306-F308 HydrophobicContact CD2-CE2 3.7Å; L306-F308 HydrophobicContact CD2-CZ 3.95Å; L306-F308 HydrophobicContact CG-CD2 4.27Å; L306-F308 HydrophobicContact CG-CE2 4.13Å; L306-F308 PolarHBondContact O-N 3.49Å; F308-S310 PolarHBondContact O-N 3.25Å; F308-S310 VanDerWaalsContact O-N 3.09Å | ||
| 309 | R | 38.5 | Very low | 43.4 | Very low | 198 Ų | 198 | 130 Ų | 130 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | trans | -59.4 | 111.2 | 157.8 | -69.6 | -70.4 | 177 | -119.2 | -7.5 | 104.8 | N307 A311 | N307-R309 WeakPolarHBondContact ND2-CD 3.49Å; N307-R309 WeakPolarHBondContact ND2-CG 2.95Å; N307-R309 PolarHBondContact ND2-NE 3.18Å; N307-R309 PolarHBondContact ND2-NH1 2.91Å; N307-R309 PolarHBondContact O-N 2.76Å; N307-R309 PolarHBondContact OD1-NH1 2.94Å; N307-R309 VanDerWaalsContact OD1-NH1 3.08Å; R309-A311 PolarHBondContact O-N 3.44Å | ||
| 310 | S | 37.5 | Very low | 42.7 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | -47.5 | 108.5 | 166.7 | -51.9 | 0 | 0 | 0 | 0 | 108.5 | F308 S312 | F308-S310 PolarHBondContact O-N 3.25Å; F308-S310 VanDerWaalsContact O-N 3.09Å; S310-S312 PolarHBondContact O-N 3.14Å | ||
| 311 | A | 39 | Very low | 42.4 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -74 | 86.3 | 172 | 0 | 0 | 0 | 0 | 0 | 107.7 | R309 | R309-A311 PolarHBondContact O-N 3.44Š| ||
| 312 | S | 33.6 | Very low | 42.1 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -59.9 | 141.8 | 154.9 | -70.7 | 0 | 0 | 0 | 0 | 108.8 | S310 I314 | S310-S312 PolarHBondContact O-N 3.14Å; S312-I314 PolarHBondContact O-N 2.96Å | ||
| 313 | M | 41.3 | Very low | 41.4 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | trans | -34.5 | 123.6 | 173 | -62.2 | 169 | 49.1 | 0 | 0 | 113 | ||||
| 314 | I | 35.7 | Very low | 40.8 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 82% | 0.821 | 76% | 0.755 | S | S | * | * | trans | -123.7 | 113.4 | 151.7 | -140.3 | 153.2 | 0 | 0 | 0 | 107.3 | S312 | S312-I314 PolarHBondContact O-N 2.96Š| ||
| 315 | S | 41.8 | Very low | 40 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -56.8 | 130.3 | 163.8 | -167.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 316 | S | 42.3 | Very low | 39.4 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -137.1 | 110.8 | 160.1 | 69.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 317 | D | 34.3 | Very low | 38.8 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -60.1 | 156 | 169.8 | -63.2 | -60.7 | 0 | 0 | 0 | 111.5 | ||||
| 318 | C | 45.8 | Very low | 39.1 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | -44.5 | 148.9 | 167.1 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 319 | E | 36.7 | Very low | 39.3 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | -173.1 | 158.3 | 74.2 | -79.1 | -179.1 | 126.5 | 0 | 0 | 111.9 | |||||
| 320 | Q | 35.4 | Very low | 39.4 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 86.3 | 108.9 | 153.5 | -121.6 | 67 | 29.5 | 0 | 0 | 122.2 | ||||
| 321 | S | 45 | Very low | 39.9 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -69.9 | 152.9 | 167 | 51.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 322 | Q | 40.3 | Very low | 40.4 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -170.5 | 101.8 | 132.3 | -102.3 | -174.6 | 23.4 | 0 | 0 | 107.3 | ||||
| 323 | D | 35.7 | Very low | 40.8 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | 88.5 | 116.8 | 86.5 | -95.2 | -25.6 | 0 | 0 | 0 | 114.3 | |||||
| 324 | S | 40.2 | Very low | 41.2 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 50.8 | 126.6 | 145.1 | 64.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 325 | N | 36.4 | Very low | 41.6 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | 179.5 | 148.7 | 78.3 | -158.4 | 6.5 | 0 | 0 | 0 | 112.5 | |||||
| 326 | S | 36 | Very low | 41.9 | Very low | 84 Ų | 84 | 136.8 Ų | 136.8 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | trans | -17.6 | 144.8 | 166.9 | 68.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 327 | D | 37.2 | Very low | 42.2 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 67.4 | 115.4 | 130.7 | -92.1 | -9.7 | 0 | 0 | 0 | 122.3 | ||||
| 328 | L | 48.3 | Very low | 42.9 | Very low | 146 Ų | 146 | 140 Ų | 140 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | 59.7 | 67.9 | 126.7 | -60.9 | 172.4 | 0 | 0 | 0 | 117.7 | |||||
| 329 | R | 43.8 | Very low | 43.7 | Very low | 247 Ų | 247 | 140.9 Ų | 140.9 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | trans | -152 | 117.1 | 136.9 | -61.9 | -160.6 | 173.9 | -99.4 | -5.9 | 105.6 | ||||
| 330 | N | 42 | Very low | 44.6 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | -179 | 130.9 | 76.9 | -169.6 | 20.8 | 0 | 0 | 0 | 108.1 | D332 | N330-D332 PolarHBondContact O-N 3.3Å; N330-D332 VanDerWaalsContact O-N 3.08Å | |||
| 331 | D | 47.9 | Very low | 46.3 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 90% | 0.904 | 75% | 0.745 | S | S | * | * | trans | -85.1 | 56.2 | 178.4 | -154.4 | -12 | 0 | 0 | 0 | 110 | ||||
| 332 | D | 49.2 | Very low | 48 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | -143.3 | 27.8 | -174.9 | -126 | -12.4 | 0 | 0 | 0 | 113.8 | N330 | N330-D332 PolarHBondContact O-N 3.3Å; N330-D332 VanDerWaalsContact O-N 3.08Å | ||
| 333 | S | 42.3 | Very low | 50.3 | Low | 80 Ų | 80 | 130.2 Ų | 130.2 | 56% | 0.559 | 71% | 0.708 | S | S | * | * | trans | -114.8 | 34.3 | 170.5 | -84.6 | 0 | 0 | 0 | 0 | 112.4 | N335 D336 | S333-N335 PolarHBondContact O-N 3.49Å; S333-D336 PolarHBondContact O-N 2.94Å | ||
| 334 | A | 48.7 | Very low | 52.8 | Low | 76 Ų | 76 | 126.2 Ų | 126.2 | 63% | 0.628 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -14.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 335 | N | 45.4 | Very low | 55.3 | Low | 166 Ų | 166 | 127.7 Ų | 127.7 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 5.3 | -179.1 | -73.6 | -41.9 | 0 | 0 | 0 | 115.1 | S333 | S333-N335 PolarHBondContact O-N 3.49Š|
| 336 | D | 48 | Very low | 58.1 | Low | 138 Ų | 138 | 124.7 Ų | 124.7 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | trans | -119.7 | 27.6 | 175.2 | -149.9 | 18.3 | 0 | 0 | 0 | 112.1 | S333 V338 | S333-D336 PolarHBondContact O-N 2.94Å; D336-V338 PolarHBondContact O-N 2.96Å | ||
| 337 | R | 48.2 | Very low | 60.9 | Low | 194 Ų | 194 | 127 Ų | 127 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -79.4 | 111.9 | 164.9 | -78.5 | -179.1 | 169.6 | 138.7 | 0.4 | 107.3 | ||
| 338 | V | 48.7 | Very low | 63.6 | Low | 122 Ų | 122 | 124.9 Ų | 124.9 | 74% | 0.739 | 66% | 0.658 | S | S | * | * | trans | -12.1 | 120.8 | 148.7 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | D336 Y340 | D336-V338 PolarHBondContact O-N 2.96Å; V338-Y340 VanDerWaalsContact C-N 3.34Å; V338-Y340 WeakPolarHBondContact O-CA 3.26Å; V338-Y340 PolarHBondContact O-N 3.04Å | ||
| 339 | P | 61.8 | Low | 66 | Low | 124 Ų | 124 | 120.2 Ų | 120.2 | 81% | 0.805 | 64% | 0.641 | S | S | * | * | trans | -49.8 | 103.2 | -173.7 | -23.7 | 30 | 0 | 0 | 0 | 108.3 | G341 | P339-G341 PolarHBondContact O-N 2.71Š| ||
| 340 | Y | 55.9 | Low | 68.5 | Low | 207 Ų | 207 | 115 Ų | 115 | 81% | 0.812 | 62% | 0.621 | S | S | * | * | trans | -70.9 | 98 | -175.1 | -157.5 | -89.3 | 0 | 0 | 0 | 103.3 | V338 I342 | V338-Y340 VanDerWaalsContact C-N 3.34Å; V338-Y340 WeakPolarHBondContact O-CA 3.26Å; V338-Y340 PolarHBondContact O-N 3.04Å; Y340-I342 PolarHBondContact O-N 3.07Å | ||
| 341 | G | 70.9 | Confident | 71.1 | Confident | 59 Ų | 59 | 112.2 Ų | 112.2 | 61% | 0.608 | 61% | 0.606 | S | S | * | * | trans | -46.6 | 129.3 | -177 | 0 | 0 | 0 | 0 | 0 | 108.1 | P339 S343 | P339-G341 PolarHBondContact O-N 2.71Å; G341-S343 PolarHBondContact O-N 3.22Å | ||
| 342 | I | 82.2 | Confident | 73.4 | Confident | 74 Ų | 74 | 108.8 Ų | 108.8 | 38% | 0.379 | 59% | 0.586 | S | S | . | * | trans | -44.8 | 119.9 | -175.3 | -61.8 | 155.1 | 0 | 0 | 0 | 108.6 | Y340 E346 R347 | Y340-I342 PolarHBondContact O-N 3.07Å; I342-E346 HydrophobicContact CG2-CB 3.79Å; I342-E346 HydrophobicContact CG2-CG 3.46Å; I342-E346 VanDerWaalsContact CG2-CG 3.46Å; I342-R347 PolarHBondContact O-NH2 3.4Å | ||
| 343 | S | 86.7 | Confident | 75.6 | Confident | 48 Ų | 48 | 110.2 Ų | 110.2 | 34% | 0.336 | 59% | 0.586 | S | S | . | * | trans | -61.5 | 154.1 | -175.1 | 104.1 | 0 | 0 | 0 | 0 | 110.3 | G341 I345 E346 R347 | G341-S343 PolarHBondContact O-N 3.22Å; S343-I345 PolarHBondContact O-N 3.08Å; S343-I345 PolarHBondContact OG-N 2.98Å; S343-I345 VanDerWaalsContact OG-N 3.15Å; S343-E346 PolarHBondContact O-N 3.22Å; S343-E346 VanDerWaalsContact O-N 3.1Å; S343-E346 PolarHBondContact OG-N 3.5Å; S343-R347 PolarHBondContact O-N 3.37Å | ||
| 344 | A | 88.6 | Confident | 78.2 | Confident | 58 Ų | 58 | 113.4 Ų | 113.4 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -57.2 | -32.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R347 N348 | A344-R347 PolarHBondContact O-N 2.6Å; A344-N348 WeakPolarHBondContact O-CB 3.48Å; A344-N348 PolarHBondContact O-N 3.45Å; A344-N348 PolarHBondContact O-ND2 3.28Å; A344-N348 PolarHBondContact O-OD1 3.01Å |
| 345 | I | 93.1 | Very high | 80.5 | Confident | 138 Ų | 138 | 114.3 Ų | 114.3 | 71% | 0.708 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.3 | -42.9 | 178.5 | -59.8 | 150.4 | 0 | 0 | 0 | 110.2 | S343 N348 A349 | S343-I345 PolarHBondContact O-N 3.08Å; S343-I345 PolarHBondContact OG-N 2.98Å; S343-I345 VanDerWaalsContact OG-N 3.15Å; I345-N348 PolarHBondContact O-N 3.39Å; I345-A349 WeakPolarHBondContact O-CB 3.23Å; I345-A349 PolarHBondContact O-N 3.24Å |
| 346 | E | 95.6 | Very high | 82.8 | Confident | 84 Ų | 84 | 113.5 Ų | 113.5 | 39% | 0.393 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 176 | 176.5 | 62.8 | -162.7 | 0 | 0 | 111.1 | I342 S343 A349 R350 | I342-E346 HydrophobicContact CG2-CB 3.79Å; I342-E346 HydrophobicContact CG2-CG 3.46Å; I342-E346 VanDerWaalsContact CG2-CG 3.46Å; S343-E346 PolarHBondContact O-N 3.22Å; S343-E346 VanDerWaalsContact O-N 3.1Å; S343-E346 PolarHBondContact OG-N 3.5Å; E346-A349 PolarHBondContact O-N 2.94Å; E346-R350 WeakPolarHBondContact O-CG 3.43Å; E346-R350 PolarHBondContact O-N 2.71Å; E346-R350 IonicContact OE1-CZ 3.38Å; E346-R350 IonicContact OE1-NE 2.86Å; E346-R350 PolarHBondContact OE1-NE 3.09Å; E346-R350 IonicContact OE1-NH2 3.01Å; E346-R350 PolarHBondContact OE1-NH2 3.43Å |
| 347 | R | 94.6 | Very high | 85 | Confident | 133 Ų | 133 | 110.3 Ų | 110.3 | 50% | 0.502 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.3 | -47.7 | 174 | -168.8 | -174.8 | -59.9 | 111.6 | 6 | 111.2 | I342 S343 A344 A349 R350 I351 | I342-R347 PolarHBondContact O-NH2 3.4Å; S343-R347 PolarHBondContact O-N 3.37Å; A344-R347 PolarHBondContact O-N 2.6Å; R347-A349 VanDerWaalsContact C-N 3.32Å; R347-A349 PolarHBondContact O-N 3.22Å; R347-R350 PolarHBondContact O-N 2.86Å; R347-I351 HydrophobicContact CG-CD1 4.17Å; R347-I351 WeakPolarHBondContact O-CG1 3.46Å; R347-I351 PolarHBondContact O-N 2.93Å |
| 348 | N | 94.9 | Very high | 86.9 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 178.1 | -71.5 | -6.9 | 0 | 0 | 0 | 111.7 | A344 I345 R350 I351 I352 | A344-N348 WeakPolarHBondContact O-CB 3.48Å; A344-N348 PolarHBondContact O-N 3.45Å; A344-N348 PolarHBondContact O-ND2 3.28Å; A344-N348 PolarHBondContact O-OD1 3.01Å; I345-N348 PolarHBondContact O-N 3.39Å; N348-R350 VanDerWaalsContact C-N 3.34Å; N348-R350 PolarHBondContact O-N 2.79Å; N348-I351 PolarHBondContact O-N 3.09Å; N348-I352 VanDerWaalsContact O-CG1 3.29Å; N348-I352 WeakPolarHBondContact O-CG1 3.4Å; N348-I352 PolarHBondContact O-N 2.87Å |
| 349 | A | 97.6 | Very high | 88.8 | Confident | 48 Ų | 48 | 103.9 Ų | 103.9 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I345 E346 R347 I352 K353 | I345-A349 WeakPolarHBondContact O-CB 3.23Å; I345-A349 PolarHBondContact O-N 3.24Å; E346-A349 PolarHBondContact O-N 2.94Å; R347-A349 VanDerWaalsContact C-N 3.32Å; R347-A349 PolarHBondContact O-N 3.22Å; A349-I352 PolarHBondContact O-N 2.89Å; A349-K353 WeakPolarHBondContact O-CB 3.34Å; A349-K353 PolarHBondContact O-N 2.94Å |
| 350 | R | 96.6 | Very high | 89.9 | Confident | 137 Ų | 137 | 103.8 Ų | 103.8 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 176 | -70.8 | 179.1 | -172.7 | -164.6 | 0.9 | 112.3 | E346 R347 N348 K353 W354 | E346-R350 WeakPolarHBondContact O-CG 3.43Å; E346-R350 PolarHBondContact O-N 2.71Å; E346-R350 IonicContact OE1-CZ 3.38Å; E346-R350 IonicContact OE1-NE 2.86Å; E346-R350 PolarHBondContact OE1-NE 3.09Å; E346-R350 IonicContact OE1-NH2 3.01Å; E346-R350 PolarHBondContact OE1-NH2 3.43Å; R347-R350 PolarHBondContact O-N 2.86Å; N348-R350 VanDerWaalsContact C-N 3.34Å; N348-R350 PolarHBondContact O-N 2.79Å; R350-K353 PolarHBondContact O-N 3.08Å; R350-W354 VanDerWaalsContact O-CB 3.3Å; R350-W354 WeakPolarHBondContact O-CB 2.99Å; R350-W354 PolarHBondContact O-N 2.94Å |
| 351 | I | 96.3 | Very high | 90.7 | Very high | 78 Ų | 78 | 96.7 Ų | 96.7 | 40% | 0.4 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 176.6 | -66.2 | 165 | 0 | 0 | 0 | 110.3 | R347 N348 K353 W354 L355 | R347-I351 HydrophobicContact CG-CD1 4.17Å; R347-I351 WeakPolarHBondContact O-CG1 3.46Å; R347-I351 PolarHBondContact O-N 2.93Å; N348-I351 PolarHBondContact O-N 3.09Å; I351-K353 PolarHBondContact O-N 3.27Å; I351-W354 PolarHBondContact O-N 2.95Å; I351-L355 HydrophobicContact CG2-CD1 4.04Å; I351-L355 HydrophobicContact CG2-CG 4.4Å; I351-L355 WeakPolarHBondContact O-CG 3.36Å; I351-L355 PolarHBondContact O-N 3.21Å |
| 352 | I | 96.1 | Very high | 90.9 | Very high | 97 Ų | 97 | 101.6 Ų | 101.6 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 177.8 | -66.5 | 164.7 | 0 | 0 | 0 | 110.3 | N348 A349 W354 L355 Y356 | N348-I352 VanDerWaalsContact O-CG1 3.29Å; N348-I352 WeakPolarHBondContact O-CG1 3.4Å; N348-I352 PolarHBondContact O-N 2.87Å; A349-I352 PolarHBondContact O-N 2.89Å; I352-W354 VanDerWaalsContact C-N 3.29Å; I352-W354 PolarHBondContact O-N 3.21Å; I352-L355 PolarHBondContact O-N 2.83Å; I352-Y356 HydrophobicContact CG2-CD2 3.85Å; I352-Y356 HydrophobicContact CG2-CE2 3.98Å; I352-Y356 WeakPolarHBondContact O-CD2 3.27Å; I352-Y356 PolarHBondContact O-N 3.01Å |
| 353 | K | 96.5 | Very high | 90.7 | Very high | 163 Ų | 163 | 103.6 Ų | 103.6 | 71% | 0.709 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.5 | -41.2 | 178 | -174.7 | 179.3 | -70.7 | 179.3 | 0 | 111.8 | A349 R350 I351 Y356 S357 | A349-K353 WeakPolarHBondContact O-CB 3.34Å; A349-K353 PolarHBondContact O-N 2.94Å; R350-K353 PolarHBondContact O-N 3.08Å; I351-K353 PolarHBondContact O-N 3.27Å; K353-Y356 PolarHBondContact O-N 3.37Å; K353-S357 WeakPolarHBondContact O-CB 3.13Å; K353-S357 PolarHBondContact O-N 3.42Å |
| 354 | W | 96.3 | Very high | 89.9 | Confident | 147 Ų | 147 | 105.2 Ų | 105.2 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.3 | -47.3 | 177.9 | 178 | 69.8 | 0 | 0 | 0 | 112.2 | R350 I351 I352 Y356 S357 I358 | R350-W354 VanDerWaalsContact O-CB 3.3Å; R350-W354 WeakPolarHBondContact O-CB 2.99Å; R350-W354 PolarHBondContact O-N 2.94Å; I351-W354 PolarHBondContact O-N 2.95Å; I352-W354 VanDerWaalsContact C-N 3.29Å; I352-W354 PolarHBondContact O-N 3.21Å; W354-Y356 VanDerWaalsContact C-N 3.29Å; W354-Y356 PolarHBondContact O-N 2.77Å; W354-S357 WeakPolarHBondContact O-CA 3.16Å; W354-S357 WeakPolarHBondContact O-CB 3.38Å; W354-S357 PolarHBondContact O-N 3.24Å; W354-I358 HydrophobicContact CD2-CD1 3.58Å; W354-I358 HydrophobicContact CE3-CD1 3.89Å; W354-I358 HydrophobicContact CG-CD1 4.26Å; W354-I358 HydrophobicContact CH2-CD1 3.65Å; W354-I358 HydrophobicContact CZ2-CD1 3.33Å; W354-I358 HydrophobicContact CZ3-CD1 3.91Å; W354-I358 WeakPolarHBondContact O-CG1 3.18Å; W354-I358 PolarHBondContact O-N 2.8Å |
| 355 | L | 96.1 | Very high | 88.5 | Confident | 94 Ų | 94 | 109.6 Ų | 109.6 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.4 | -41.8 | 175.9 | -71.6 | 172.7 | 0 | 0 | 0 | 112 | I351 I352 I358 K359 | I351-L355 HydrophobicContact CG2-CD1 4.04Å; I351-L355 HydrophobicContact CG2-CG 4.4Å; I351-L355 WeakPolarHBondContact O-CG 3.36Å; I351-L355 PolarHBondContact O-N 3.21Å; I352-L355 PolarHBondContact O-N 2.83Å; L355-I358 PolarHBondContact O-N 3.4Å; L355-K359 WeakPolarHBondContact O-CB 3.22Å; L355-K359 PolarHBondContact O-N 2.97Å |
| 356 | Y | 95.2 | Very high | 86.9 | Confident | 150 Ų | 150 | 110.2 Ų | 110.2 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.3 | -36.6 | 174.9 | -89.9 | -83.8 | 0 | 0 | 0 | 112.6 | I352 K353 W354 K359 Q360 | I352-Y356 HydrophobicContact CG2-CD2 3.85Å; I352-Y356 HydrophobicContact CG2-CE2 3.98Å; I352-Y356 WeakPolarHBondContact O-CD2 3.27Å; I352-Y356 PolarHBondContact O-N 3.01Å; K353-Y356 PolarHBondContact O-N 3.37Å; W354-Y356 VanDerWaalsContact C-N 3.29Å; W354-Y356 PolarHBondContact O-N 2.77Å; Y356-K359 PolarHBondContact O-N 3.44Å; Y356-Q360 WeakPolarHBondContact O-CB 3.46Å; Y356-Q360 WeakPolarHBondContact O-CG 3.28Å; Y356-Q360 PolarHBondContact O-N 3.36Å |
| 357 | S | 92.6 | Very high | 85.1 | Confident | 71 Ų | 71 | 111.5 Ų | 111.5 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 174.3 | -164.5 | 0 | 0 | 0 | 0 | 112 | K353 W354 Q360 A361 | K353-S357 WeakPolarHBondContact O-CB 3.13Å; K353-S357 PolarHBondContact O-N 3.42Å; W354-S357 WeakPolarHBondContact O-CA 3.16Å; W354-S357 WeakPolarHBondContact O-CB 3.38Å; W354-S357 PolarHBondContact O-N 3.24Å; S357-Q360 PolarHBondContact O-N 3.49Å; S357-A361 PolarHBondContact O-N 3.24Å |
| 358 | I | 89.4 | Confident | 83.3 | Confident | 57 Ų | 57 | 109.6 Ų | 109.6 | 29% | 0.292 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 174.6 | -68.4 | 166.2 | 0 | 0 | 0 | 110.6 | W354 L355 Q360 A361 R362 | W354-I358 HydrophobicContact CD2-CD1 3.58Å; W354-I358 HydrophobicContact CE3-CD1 3.89Å; W354-I358 HydrophobicContact CG-CD1 4.26Å; W354-I358 HydrophobicContact CH2-CD1 3.65Å; W354-I358 HydrophobicContact CZ2-CD1 3.33Å; W354-I358 HydrophobicContact CZ3-CD1 3.91Å; W354-I358 WeakPolarHBondContact O-CG1 3.18Å; W354-I358 PolarHBondContact O-N 2.8Å; L355-I358 PolarHBondContact O-N 3.4Å; I358-Q360 VanDerWaalsContact C-N 3.29Å; I358-Q360 PolarHBondContact O-N 3.39Å; I358-A361 PolarHBondContact O-N 3.03Å; I358-R362 HydrophobicContact CG2-CG 4.41Å; I358-R362 WeakPolarHBondContact O-CG 3.4Å; I358-R362 PolarHBondContact O-N 3.17Å |
| 359 | K | 87.5 | Confident | 81.3 | Confident | 123 Ų | 123 | 113.6 Ų | 113.6 | 54% | 0.535 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.8 | -44 | 177.7 | -173.5 | -177.3 | 173.2 | -174.4 | 0 | 111.1 | L355 Y356 R362 E363 | L355-K359 WeakPolarHBondContact O-CB 3.22Å; L355-K359 PolarHBondContact O-N 2.97Å; Y356-K359 PolarHBondContact O-N 3.44Å; K359-R362 PolarHBondContact O-N 2.88Å; K359-E363 WeakPolarHBondContact O-CB 3.41Å; K359-E363 PolarHBondContact O-N 3.26Å |
| 360 | Q | 85.7 | Confident | 78.7 | Confident | 123 Ų | 123 | 120.7 Ų | 120.7 | 58% | 0.575 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.5 | -45.5 | 176.7 | -75.7 | -174.1 | 103.6 | 0 | 0 | 112 | Y356 S357 I358 R362 E363 S364 | Y356-Q360 WeakPolarHBondContact O-CB 3.46Å; Y356-Q360 WeakPolarHBondContact O-CG 3.28Å; Y356-Q360 PolarHBondContact O-N 3.36Å; S357-Q360 PolarHBondContact O-N 3.49Å; I358-Q360 VanDerWaalsContact C-N 3.29Å; I358-Q360 PolarHBondContact O-N 3.39Å; Q360-R362 VanDerWaalsContact C-N 3.31Å; Q360-R362 PolarHBondContact O-N 3.41Å; Q360-E363 PolarHBondContact O-N 3.33Å; Q360-S364 WeakPolarHBondContact O-CB 3.16Å; Q360-S364 PolarHBondContact O-N 3.47Å; Q360-S364 PolarHBondContact O-OG 3.28Å |
| 361 | A | 72.4 | Confident | 77.8 | Confident | 57 Ų | 57 | 119.9 Ų | 119.9 | 47% | 0.471 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58.9 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S357 I358 S364 Q365 | S357-A361 PolarHBondContact O-N 3.24Å; I358-A361 PolarHBondContact O-N 3.03Å; A361-S364 PolarHBondContact O-N 3.4Å; A361-Q365 WeakPolarHBondContact O-CB 3.36Å; A361-Q365 PolarHBondContact O-N 2.89Å |
| 362 | R | 75.7 | Confident | 76.9 | Confident | 162 Ų | 162 | 122.1 Ų | 122.1 | 61% | 0.611 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.2 | -36.9 | 176.8 | -71.2 | 178.7 | 70 | -133.7 | 5 | 113.4 | I358 K359 Q360 K366 | I358-R362 HydrophobicContact CG2-CG 4.41Å; I358-R362 WeakPolarHBondContact O-CG 3.4Å; I358-R362 PolarHBondContact O-N 3.17Å; K359-R362 PolarHBondContact O-N 2.88Å; Q360-R362 VanDerWaalsContact C-N 3.31Å; Q360-R362 PolarHBondContact O-N 3.41Å; R362-K366 WeakPolarHBondContact O-CG 3.17Å; R362-K366 PolarHBondContact O-N 2.81Å |
| 363 | E | 76.8 | Confident | 75.8 | Confident | 117 Ų | 117 | 123.5 Ų | 123.5 | 55% | 0.547 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.7 | -42.8 | 176.1 | -172.8 | 168 | -176.4 | 0 | 0 | 110.9 | K359 Q360 Q365 K366 V367 | K359-E363 WeakPolarHBondContact O-CB 3.41Å; K359-E363 PolarHBondContact O-N 3.26Å; Q360-E363 PolarHBondContact O-N 3.33Å; E363-Q365 VanDerWaalsContact C-N 3.31Å; E363-Q365 PolarHBondContact O-N 3.49Å; E363-K366 PolarHBondContact O-N 2.98Å; E363-K366 VanDerWaalsContact O-N 3.16Å; E363-V367 WeakPolarHBondContact O-CG2 3.43Å; E363-V367 PolarHBondContact O-N 2.62Å |
| 364 | S | 70.3 | Confident | 74.6 | Confident | 81 Ų | 81 | 121.2 Ų | 121.2 | 57% | 0.566 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.5 | -37.5 | 175.7 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | Q360 A361 K366 V367 S368 | Q360-S364 WeakPolarHBondContact O-CB 3.16Å; Q360-S364 PolarHBondContact O-N 3.47Å; Q360-S364 PolarHBondContact O-OG 3.28Å; A361-S364 PolarHBondContact O-N 3.4Å; S364-K366 VanDerWaalsContact C-N 3.31Å; S364-K366 PolarHBondContact O-N 2.87Å; S364-V367 PolarHBondContact O-N 3.11Å; S364-S368 PolarHBondContact O-N 3.42Å |
| 365 | Q | 60.1 | Low | 73.2 | Confident | 150 Ų | 150 | 119.6 Ų | 119.6 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.9 | -21.6 | 178.4 | -166 | 164.3 | -26.6 | 0 | 0 | 113.8 | A361 E363 S368 | A361-Q365 WeakPolarHBondContact O-CB 3.36Å; A361-Q365 PolarHBondContact O-N 2.89Å; E363-Q365 VanDerWaalsContact C-N 3.31Å; E363-Q365 PolarHBondContact O-N 3.49Å; Q365-S368 PolarHBondContact O-OG 3.39Å |
| 366 | K | 59.4 | Low | 71.7 | Confident | 151 Ų | 151 | 121.3 Ų | 121.3 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -77.1 | -23.5 | 172.1 | -69.5 | 165 | -178.3 | -95.3 | 0 | 112.6 | R362 E363 S364 | R362-K366 WeakPolarHBondContact O-CG 3.17Å; R362-K366 PolarHBondContact O-N 2.81Å; E363-K366 PolarHBondContact O-N 2.98Å; E363-K366 VanDerWaalsContact O-N 3.16Å; S364-K366 VanDerWaalsContact C-N 3.31Å; S364-K366 PolarHBondContact O-N 2.87Å |
| 367 | V | 57.3 | Low | 70 | Confident | 112 Ų | 112 | 119.2 Ų | 119.2 | 68% | 0.679 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -88.8 | -22.4 | -178.8 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | E363 S364 H369 | E363-V367 WeakPolarHBondContact O-CG2 3.43Å; E363-V367 PolarHBondContact O-N 2.62Å; S364-V367 PolarHBondContact O-N 3.11Å; V367-H369 VanDerWaalsContact C-N 3.34Å |
| 368 | S | 57.6 | Low | 68.3 | Low | 92 Ų | 92 | 122.9 Ų | 122.9 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -85.5 | -0.6 | 177.8 | 63.1 | 0 | 0 | 0 | 0 | 114.7 | S364 Q365 | S364-S368 PolarHBondContact O-N 3.42Å; Q365-S368 PolarHBondContact O-OG 3.39Å |
| 369 | H | 51.7 | Low | 66.5 | Low | 176 Ų | 176 | 128.4 Ų | 128.4 | 82% | 0.815 | 67% | 0.666 | S | S | * | * | trans | -116.6 | 56.3 | 177.2 | -150.9 | 44.9 | 0 | 0 | 0 | 110.9 | V367 | V367-H369 VanDerWaalsContact C-N 3.34Š| ||
| 370 | V | 43.8 | Very low | 64.6 | Low | 197 Ų | 197 | 128.9 Ų | 128.9 | 100% | 1.194 | 68% | 0.678 | S | S | * | * | trans | -134.8 | 0 | 166.6 | 176.1 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 370 of 370 residues in 331.8 ms
(Link to these results)