| 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 | 39.1 | Very low | 36 | Very low | 238 Ų | 238 | 157.5 Ų | 157.5 | 100% | 1.172 | 91% | 0.91 | S | S | * | * | 0 | 108.7 | 0 | -66.9 | -171.4 | -149.9 | 0 | 0 | 108.1 | |||||
| 2 | L | 32.2 | Very low | 36.3 | Very low | 179 Ų | 179 | 154.1 Ų | 154.1 | 94% | 0.937 | 90% | 0.902 | S | S | * | * | trans | 178.5 | 89 | 152.4 | -98.6 | 159.6 | 0 | 0 | 0 | 106.9 | ||||
| 3 | L | 30.2 | Very low | 36.7 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 92% | 0.921 | 89% | 0.894 | S | S | * | * | trans | -146.1 | 143.6 | 164.7 | -121.8 | 126.4 | 0 | 0 | 0 | 106.2 | ||||
| 4 | A | 35.9 | Very low | 36.8 | Very low | 88 Ų | 88 | 157.6 Ų | 157.6 | 73% | 0.727 | 90% | 0.898 | S | S | * | * | trans | 87.7 | 102.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 5 | T | 42 | Very low | 37.1 | Very low | 153 Ų | 153 | 162.5 Ų | 162.5 | 94% | 0.939 | 90% | 0.897 | S | S | * | * | -166.7 | 75.6 | 120.8 | 23.2 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 6 | F | 33.4 | Very low | 37.5 | Very low | 207 Ų | 207 | 164.3 Ų | 164.3 | 91% | 0.908 | 90% | 0.896 | S | S | * | * | trans | -85.7 | 115.5 | 160.1 | -126.1 | -94.3 | 0 | 0 | 0 | 106.8 | ||||
| 7 | K | 34.8 | Very low | 37.6 | Very low | 194 Ų | 194 | 165.4 Ų | 165.4 | 84% | 0.843 | 90% | 0.896 | S | S | * | * | trans | 155.3 | 143 | 147.3 | -90.1 | 172.9 | 178.6 | 179.7 | 0 | 111.6 | ||||
| 8 | L | 34.9 | Very low | 38.3 | Very low | 168 Ų | 168 | 169.7 Ų | 169.7 | 88% | 0.88 | 90% | 0.897 | S | S | * | * | trans | 88.3 | 87.2 | 165.3 | -63.6 | 148.7 | 0 | 0 | 0 | 116.8 | ||||
| 9 | C | 34.7 | Very low | 39.1 | Very low | 140 Ų | 140 | 168.3 Ų | 168.3 | 95% | 0.946 | 89% | 0.89 | S | S | * | * | trans | -170 | 53.9 | 136 | -96.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 10 | A | 39.8 | Very low | 39.4 | Very low | 110 Ų | 110 | 167.1 Ų | 167.1 | 91% | 0.909 | 88% | 0.881 | S | S | * | * | S | Bend | trans | -126 | 85.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||
| 11 | G | 38.8 | Very low | 39.9 | Very low | 80 Ų | 80 | 167.4 Ų | 167.4 | 83% | 0.825 | 88% | 0.875 | S | S | * | * | S | Bend | trans | 178.1 | 16.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 12 | S | 39.6 | Very low | 40.4 | Very low | 116 Ų | 116 | 157.8 Ų | 157.8 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -146.7 | 19.9 | -177.8 | 59.6 | 0 | 0 | 0 | 0 | 117.4 | ||
| 13 | S | 41.2 | Very low | 41.4 | Very low | 115 Ų | 115 | 155 Ų | 155 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -108 | -3.4 | 171.8 | -153.6 | 0 | 0 | 0 | 0 | 115 | R15 | S13-R15 VanDerWaalsContact C-N 3.31Å; S13-R15 PolarHBondContact O-N 3.09Å |
| 14 | Y | 39.3 | Very low | 42.4 | Very low | 242 Ų | 242 | 156 Ų | 156 | 95% | 0.949 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 24.3 | 178.9 | -102.7 | -86.9 | 0 | 0 | 0 | 114.8 | ||
| 15 | R | 40.1 | Very low | 43.2 | Very low | 232 Ų | 232 | 158.5 Ų | 158.5 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 11.9 | -179.8 | -110.7 | -174.1 | -168 | -162.2 | 4.5 | 117.4 | S13 | S13-R15 VanDerWaalsContact C-N 3.31Å; S13-R15 PolarHBondContact O-N 3.09Å |
| 16 | H | 43.8 | Very low | 43.7 | Very low | 191 Ų | 191 | 157.6 Ų | 157.6 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | trans | -123.7 | 20.1 | 176.8 | -93.1 | 30 | 0 | 0 | 0 | 115.6 | R18 | H16-R18 PolarHBondContact O-N 3.39Š| ||
| 17 | M | 40.4 | Very low | 44.7 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -99.1 | 43.4 | 174.1 | -149.1 | 174.3 | 71.3 | 0 | 0 | 112.9 | ||||
| 18 | R | 49.8 | Very low | 45.6 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -145.1 | 51.2 | 178 | -145.7 | -179.8 | -166.9 | 177.8 | 4.5 | 113.6 | H16 | H16-R18 PolarHBondContact O-N 3.39Š|
| 19 | N | 52.1 | Low | 46.7 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | -165.2 | 60 | 154 | -134 | -7.7 | 0 | 0 | 0 | 115.4 | ||||
| 20 | M | 46.1 | Very low | 47.6 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | trans | -99.6 | 10.4 | 177.1 | -74 | -117.2 | -66.4 | 0 | 0 | 114.7 | ||||
| 21 | K | 49.2 | Very low | 48.4 | Very low | 173 Ų | 173 | 140 Ų | 140 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -76.2 | -35.1 | 179.8 | -73.4 | -172.8 | 176.8 | -175.6 | 0 | 113 | Q25 | K21-Q25 PolarHBondContact O-N 3.29Å |
| 22 | G | 51.1 | Low | 49.3 | Very low | 37 Ų | 37 | 137.7 Ų | 137.7 | 38% | 0.381 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -68.8 | -40.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R24 Q25 Q26 | G22-R24 VanDerWaalsContact C-N 3.35Å; G22-R24 PolarHBondContact O-N 3.1Å; G22-Q25 PolarHBondContact O-N 3.16Å; G22-Q26 PolarHBondContact O-N 3.47Å; G22-Q26 VanDerWaalsContact O-N 3.15Å |
| 23 | L | 52.2 | Low | 49.9 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 62% | 0.623 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -66.4 | -34 | 179 | -78.8 | 159.3 | 0 | 0 | 0 | 112.7 | A27 | L23-A27 PolarHBondContact O-N 2.91Å |
| 24 | R | 52.3 | Low | 50.3 | Low | 198 Ų | 198 | 136.2 Ų | 136.2 | 75% | 0.747 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.2 | -39.3 | 174.7 | -87.7 | -176 | 166.2 | 179 | -3.2 | 112.5 | G22 A27 V28 | G22-R24 VanDerWaalsContact C-N 3.35Å; G22-R24 PolarHBondContact O-N 3.1Å; R24-A27 PolarHBondContact O-N 3.32Å; R24-V28 VanDerWaalsContact O-CG2 3.28Å; R24-V28 WeakPolarHBondContact O-CG2 3.4Å; R24-V28 PolarHBondContact O-N 3.19Å; R24-V28 VanDerWaalsContact O-N 3.08Å |
| 25 | Q | 52.8 | Low | 51 | Low | 140 Ų | 140 | 130.1 Ų | 130.1 | 65% | 0.654 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.7 | -40 | 178.9 | -77.8 | 177 | -30.4 | 0 | 0 | 112.1 | K21 G22 V28 M29 | K21-Q25 PolarHBondContact O-N 3.29Å; G22-Q25 PolarHBondContact O-N 3.16Å; Q25-V28 PolarHBondContact O-N 3.26Å; Q25-M29 WeakPolarHBondContact O-CG 3.46Å; Q25-M29 PolarHBondContact O-N 2.91Å |
| 26 | Q | 51.6 | Low | 51.4 | Low | 134 Ų | 134 | 124.8 Ų | 124.8 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.9 | -40 | 175.4 | -77.6 | -178.3 | -33.8 | 0 | 0 | 112.5 | G22 M29 A30 | G22-Q26 PolarHBondContact O-N 3.47Å; G22-Q26 VanDerWaalsContact O-N 3.15Å; Q26-M29 PolarHBondContact O-N 3.46Å; Q26-A30 WeakPolarHBondContact O-CB 3.33Å; Q26-A30 PolarHBondContact O-N 3Å |
| 27 | A | 53.9 | Low | 51.6 | Low | 54 Ų | 54 | 124.2 Ų | 124.2 | 45% | 0.446 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.8 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L23 R24 A30 I31 | L23-A27 PolarHBondContact O-N 2.91Å; R24-A27 PolarHBondContact O-N 3.32Å; A27-A30 PolarHBondContact O-N 3.46Å; A27-I31 WeakPolarHBondContact O-CD1 3.43Å; A27-I31 VanDerWaalsContact O-CG1 3.27Å; A27-I31 WeakPolarHBondContact O-CG1 3.33Å; A27-I31 PolarHBondContact O-N 3.08Å |
| 28 | V | 55.1 | Low | 51.9 | Low | 103 Ų | 103 | 124.1 Ų | 124.1 | 62% | 0.624 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66 | -39.6 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | R24 Q25 I31 G32 | R24-V28 VanDerWaalsContact O-CG2 3.28Å; R24-V28 WeakPolarHBondContact O-CG2 3.4Å; R24-V28 PolarHBondContact O-N 3.19Å; R24-V28 VanDerWaalsContact O-N 3.08Å; Q25-V28 PolarHBondContact O-N 3.26Å; V28-I31 PolarHBondContact O-N 3.17Å; V28-G32 PolarHBondContact O-N 3.49Å |
| 29 | M | 57 | Low | 51.9 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.5 | -38.2 | 175.9 | -69.2 | -139.8 | -55.9 | 0 | 0 | 112.7 | Q25 Q26 G32 Q33 | Q25-M29 WeakPolarHBondContact O-CG 3.46Å; Q25-M29 PolarHBondContact O-N 2.91Å; Q26-M29 PolarHBondContact O-N 3.46Å; M29-G32 PolarHBondContact O-N 2.98Å; M29-Q33 WeakPolarHBondContact O-CB 3.43Å; M29-Q33 WeakPolarHBondContact O-CG 3.27Å; M29-Q33 PolarHBondContact O-N 3.4Å |
| 30 | A | 52.9 | Low | 51.6 | Low | 57 Ų | 57 | 117.3 Ų | 117.3 | 47% | 0.471 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.5 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q26 A27 E34 | Q26-A30 WeakPolarHBondContact O-CB 3.33Å; Q26-A30 PolarHBondContact O-N 3Å; A27-A30 PolarHBondContact O-N 3.46Å; A30-E34 PolarHBondContact O-N 3.17Å; A30-E34 VanDerWaalsContact O-N 3.08Å |
| 31 | I | 57.7 | Low | 51.9 | Low | 106 Ų | 106 | 113.8 Ų | 113.8 | 54% | 0.544 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.5 | -43.2 | 173.7 | -66.6 | 165.9 | 0 | 0 | 0 | 110.5 | A27 V28 Q33 E34 L35 | A27-I31 WeakPolarHBondContact O-CD1 3.43Å; A27-I31 VanDerWaalsContact O-CG1 3.27Å; A27-I31 WeakPolarHBondContact O-CG1 3.33Å; A27-I31 PolarHBondContact O-N 3.08Å; V28-I31 PolarHBondContact O-N 3.17Å; I31-Q33 PolarHBondContact O-N 2.85Å; I31-E34 PolarHBondContact O-N 3.29Å; I31-L35 HydrophobicContact CG2-CD1 3.87Å; I31-L35 HydrophobicContact CG2-CG 4.39Å; I31-L35 WeakPolarHBondContact O-CB 3.45Å; I31-L35 VanDerWaalsContact O-CG 3.27Å; I31-L35 WeakPolarHBondContact O-CG 3.5Å; I31-L35 PolarHBondContact O-N 3.4Å |
| 32 | G | 57.7 | Low | 51.7 | Low | 32 Ų | 32 | 109 Ų | 109 | 33% | 0.33 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.5 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V28 M29 L35 N36 | V28-G32 PolarHBondContact O-N 3.49Å; M29-G32 PolarHBondContact O-N 2.98Å; G32-L35 PolarHBondContact O-N 2.93Å; G32-N36 PolarHBondContact O-N 3.16Å |
| 33 | Q | 52.7 | Low | 51.4 | Low | 140 Ų | 140 | 113.5 Ų | 113.5 | 65% | 0.654 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.5 | -39.4 | 176.4 | -78.3 | -178 | -25.4 | 0 | 0 | 112.2 | M29 I31 N36 R37 | M29-Q33 WeakPolarHBondContact O-CB 3.43Å; M29-Q33 WeakPolarHBondContact O-CG 3.27Å; M29-Q33 PolarHBondContact O-N 3.4Å; I31-Q33 PolarHBondContact O-N 2.85Å; Q33-N36 PolarHBondContact O-N 3.12Å; Q33-R37 WeakPolarHBondContact O-CB 3.27Å; Q33-R37 PolarHBondContact O-N 2.96Å |
| 34 | E | 49.4 | Very low | 51.3 | Low | 60 Ų | 60 | 113.9 Ų | 113.9 | 28% | 0.28 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.5 | -33.5 | 176.8 | -174.8 | 60.6 | -166.5 | 0 | 0 | 112.3 | A30 I31 R37 R38 | A30-E34 PolarHBondContact O-N 3.17Å; A30-E34 VanDerWaalsContact O-N 3.08Å; I31-E34 PolarHBondContact O-N 3.29Å; E34-R37 PolarHBondContact O-N 3.36Å; E34-R37 IonicContact OE1-CZ 3.3Å; E34-R37 IonicContact OE1-NE 3.09Å; E34-R37 IonicContact OE1-NH2 2.66Å; E34-R37 PolarHBondContact OE1-NH2 2.69Å; E34-R37 IonicContact OE2-CZ 3.04Å; E34-R37 VanDerWaalsContact OE2-CZ 3.29Å; E34-R37 IonicContact OE2-NE 3.87Å; E34-R37 PolarHBondContact OE2-NE 3.31Å; E34-R37 IonicContact OE2-NH2 2.67Å; E34-R37 PolarHBondContact OE2-NH2 3.4Å; E34-R38 WeakPolarHBondContact O-CG 3.36Å; E34-R38 PolarHBondContact O-N 3.49Å; E34-R38 IonicContact OE1-CZ 3.41Å; E34-R38 IonicContact OE1-NE 2.94Å; E34-R38 PolarHBondContact OE1-NE 3.08Å; E34-R38 IonicContact OE1-NH2 3.65Å; E34-R38 PolarHBondContact OE1-NH2 3.4Å |
| 35 | L | 53.8 | Low | 51.2 | Low | 113 Ų | 113 | 109.1 Ų | 109.1 | 59% | 0.592 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.8 | -42.7 | 173.3 | -72.6 | 170.5 | 0 | 0 | 0 | 111.9 | I31 G32 R38 A39 | I31-L35 HydrophobicContact CG2-CD1 3.87Å; I31-L35 HydrophobicContact CG2-CG 4.39Å; I31-L35 WeakPolarHBondContact O-CB 3.45Å; I31-L35 VanDerWaalsContact O-CG 3.27Å; I31-L35 WeakPolarHBondContact O-CG 3.5Å; I31-L35 PolarHBondContact O-N 3.4Å; G32-L35 PolarHBondContact O-N 2.93Å; L35-R38 PolarHBondContact O-N 3.03Å; L35-A39 PolarHBondContact O-N 3.49Å; L35-A39 VanDerWaalsContact O-N 3.16Å |
| 36 | N | 47.2 | Very low | 51 | Low | 120 Ų | 120 | 106.9 Ų | 106.9 | 64% | 0.642 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.8 | -34.3 | 174.8 | -88.9 | -11.8 | 0 | 0 | 0 | 112.6 | G32 Q33 R38 A39 | G32-N36 PolarHBondContact O-N 3.16Å; Q33-N36 PolarHBondContact O-N 3.12Å; N36-R38 VanDerWaalsContact C-N 3.25Å; N36-R38 PolarHBondContact O-N 3.24Å; N36-A39 PolarHBondContact O-N 2.94Å |
| 37 | R | 48.4 | Very low | 50.6 | Low | 180 Ų | 180 | 104.9 Ų | 104.9 | 68% | 0.679 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.9 | -31.4 | 174.1 | -165 | 174.8 | 75 | 129.4 | 6.2 | 112.2 | Q33 E34 | Q33-R37 WeakPolarHBondContact O-CB 3.27Å; Q33-R37 PolarHBondContact O-N 2.96Å; E34-R37 PolarHBondContact O-N 3.36Å; E34-R37 IonicContact OE1-CZ 3.3Å; E34-R37 IonicContact OE1-NE 3.09Å; E34-R37 IonicContact OE1-NH2 2.66Å; E34-R37 PolarHBondContact OE1-NH2 2.69Å; E34-R37 IonicContact OE2-CZ 3.04Å; E34-R37 VanDerWaalsContact OE2-CZ 3.29Å; E34-R37 IonicContact OE2-NE 3.87Å; E34-R37 PolarHBondContact OE2-NE 3.31Å; E34-R37 IonicContact OE2-NH2 2.67Å; E34-R37 PolarHBondContact OE2-NH2 3.4Å |
| 38 | R | 48.2 | Very low | 50.2 | Low | 181 Ų | 181 | 111 Ų | 111 | 68% | 0.683 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -86.2 | -13.3 | 178 | -69 | -179.7 | -172.1 | -156.2 | 2.3 | 114.2 | E34 L35 N36 L40 | E34-R38 WeakPolarHBondContact O-CG 3.36Å; E34-R38 PolarHBondContact O-N 3.49Å; E34-R38 IonicContact OE1-CZ 3.41Å; E34-R38 IonicContact OE1-NE 2.94Å; E34-R38 PolarHBondContact OE1-NE 3.08Å; E34-R38 IonicContact OE1-NH2 3.65Å; E34-R38 PolarHBondContact OE1-NH2 3.4Å; L35-R38 PolarHBondContact O-N 3.03Å; N36-R38 VanDerWaalsContact C-N 3.25Å; N36-R38 PolarHBondContact O-N 3.24Å; R38-L40 VanDerWaalsContact C-N 3.33Å |
| 39 | A | 49.2 | Very low | 49.8 | Very low | 79 Ų | 79 | 112 Ų | 112 | 65% | 0.653 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -11.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L35 N36 | L35-A39 PolarHBondContact O-N 3.49Å; L35-A39 VanDerWaalsContact O-N 3.16Å; N36-A39 PolarHBondContact O-N 2.94Å |
| 40 | L | 46.1 | Very low | 49.1 | Very low | 163 Ų | 163 | 109.2 Ų | 109.2 | 85% | 0.853 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 15.7 | -174.2 | -76 | 166.8 | 0 | 0 | 0 | 115.2 | R38 | R38-L40 VanDerWaalsContact C-N 3.33Š|
| 41 | G | 51.5 | Low | 48.5 | Very low | 70 Ų | 70 | 112.7 Ų | 112.7 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -166.4 | 93.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 42 | G | 45.8 | Very low | 47.9 | Very low | 72 Ų | 72 | 110.8 Ų | 110.8 | 74% | 0.742 | 62% | 0.622 | S | S | * | * | trans | 168.4 | 149.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 43 | P | 44.5 | Very low | 47 | Very low | 133 Ų | 133 | 119.7 Ų | 119.7 | 86% | 0.864 | 65% | 0.645 | S | S | * | * | trans | -79.4 | 166.2 | -159.4 | 32.2 | -34.6 | 0 | 0 | 0 | 115.4 | ||||
| 44 | N | 49.4 | Very low | 46.4 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 67% | 0.674 | 66% | 0.655 | S | S | * | * | trans | -31.7 | 147.5 | -164.2 | -108.2 | -11.9 | 0 | 0 | 0 | 120.2 | S46 | N44-S46 VanDerWaalsContact C-N 3.29Å; N44-S46 PolarHBondContact O-N 3.05Å; N44-S46 VanDerWaalsContact O-N 3.09Å | ||
| 45 | P | 50.8 | Low | 45.7 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -11.3 | -171.7 | -19.3 | 32.2 | 0 | 0 | 0 | 117.2 | ||
| 46 | S | 49.1 | Very low | 44.9 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 64% | 0.643 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78.9 | -21.8 | -168.9 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | N44 | N44-S46 VanDerWaalsContact C-N 3.29Å; N44-S46 PolarHBondContact O-N 3.05Å; N44-S46 VanDerWaalsContact O-N 3.09Å |
| 47 | T | 43 | Very low | 44.8 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 56% | 0.564 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -87.5 | -21.1 | -179.9 | 15.9 | 0 | 0 | 0 | 0 | 113.7 | S50 | T47-S50 PolarHBondContact O-OG 3.03Å; T47-S50 VanDerWaalsContact O-OG 3.1Å |
| 48 | W | 45.3 | Very low | 44.5 | Very low | 182 Ų | 182 | 126.8 Ų | 126.8 | 69% | 0.689 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -74 | -36.8 | 177 | -124.7 | 82.2 | 0 | 0 | 0 | 112 | S50 Q51 V52 | W48-S50 VanDerWaalsContact C-N 3.28Å; W48-S50 PolarHBondContact O-N 2.97Å; W48-Q51 PolarHBondContact O-N 3.04Å; W48-Q51 VanDerWaalsContact O-N 3.16Å; W48-V52 HydrophobicContact CD2-CG2 4.27Å; W48-V52 HydrophobicContact CE3-CG2 3.2Å; W48-V52 HydrophobicContact CH2-CG2 4.39Å; W48-V52 HydrophobicContact CZ3-CG2 3.27Å; W48-V52 WeakPolarHBondContact O-CG2 3.28Å; W48-V52 PolarHBondContact O-N 2.95Å |
| 49 | I | 46.5 | Very low | 44.2 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 64% | 0.641 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64.2 | -33.6 | -177.7 | -63 | 174.4 | 0 | 0 | 0 | 111.4 | R53 | I49-R53 WeakPolarHBondContact O-CB 3.41Å; I49-R53 PolarHBondContact O-N 2.87Å |
| 50 | S | 42.9 | Very low | 43.5 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 50% | 0.497 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -76.2 | -29.9 | 176.4 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | T47 W48 R54 | T47-S50 PolarHBondContact O-OG 3.03Å; T47-S50 VanDerWaalsContact O-OG 3.1Å; W48-S50 VanDerWaalsContact C-N 3.28Å; W48-S50 PolarHBondContact O-N 2.97Å; S50-R54 PolarHBondContact O-N 3.3Å |
| 51 | Q | 39.6 | Very low | 43.3 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 61% | 0.607 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -77.3 | -35.4 | 174.6 | -79.6 | -174.4 | -21.4 | 0 | 0 | 113 | W48 R53 R54 R55 | W48-Q51 PolarHBondContact O-N 3.04Å; W48-Q51 VanDerWaalsContact O-N 3.16Å; Q51-R53 VanDerWaalsContact C-N 3.35Å; Q51-R54 PolarHBondContact O-N 3.38Å; Q51-R55 PolarHBondContact O-N 3.4Å |
| 52 | V | 44.2 | Very low | 43 | Very low | 67 Ų | 67 | 126.9 Ų | 126.9 | 41% | 0.406 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -67.5 | -37.8 | 173.4 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | W48 R54 R55 S56 | W48-V52 HydrophobicContact CD2-CG2 4.27Å; W48-V52 HydrophobicContact CE3-CG2 3.2Å; W48-V52 HydrophobicContact CH2-CG2 4.39Å; W48-V52 HydrophobicContact CZ3-CG2 3.27Å; W48-V52 WeakPolarHBondContact O-CG2 3.28Å; W48-V52 PolarHBondContact O-N 2.95Å; V52-R54 VanDerWaalsContact C-N 3.33Å; V52-R54 PolarHBondContact O-N 3.44Å; V52-R55 PolarHBondContact O-N 3.18Å; V52-S56 PolarHBondContact O-N 3.15Å; V52-S56 VanDerWaalsContact O-N 3.12Å; V52-S56 PolarHBondContact O-OG 2.82Å |
| 53 | R | 38.8 | Very low | 42.9 | Very low | 219 Ų | 219 | 131.4 Ų | 131.4 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -65.9 | -32.1 | 177 | -152.5 | 175.7 | -146 | -171.8 | 5.8 | 113.1 | I49 Q51 | I49-R53 WeakPolarHBondContact O-CB 3.41Å; I49-R53 PolarHBondContact O-N 2.87Å; Q51-R53 VanDerWaalsContact C-N 3.35Å |
| 54 | R | 40 | Very low | 43 | Very low | 224 Ų | 224 | 131.6 Ų | 131.6 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -83.1 | -19.9 | 173.5 | -82.9 | -169.5 | -170.8 | -177.8 | 4.3 | 114.7 | S50 Q51 V52 | S50-R54 PolarHBondContact O-N 3.3Å; Q51-R54 PolarHBondContact O-N 3.38Å; V52-R54 VanDerWaalsContact C-N 3.33Å; V52-R54 PolarHBondContact O-N 3.44Å |
| 55 | R | 35.1 | Very low | 43 | Very low | 218 Ų | 218 | 132.9 Ų | 132.9 | 82% | 0.823 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -90.7 | -2.9 | 173.6 | -97.5 | -177.6 | 166.3 | -179.7 | -3.7 | 114.6 | Q51 V52 S57 | Q51-R55 PolarHBondContact O-N 3.4Å; V52-R55 PolarHBondContact O-N 3.18Å; R55-S57 PolarHBondContact O-N 2.8Å |
| 56 | S | 38.3 | Very low | 43.5 | Very low | 63 Ų | 63 | 131.6 Ų | 131.6 | 44% | 0.441 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -78 | -3.3 | 177 | -56.4 | 0 | 0 | 0 | 0 | 113.8 | V52 L58 L59 | V52-S56 PolarHBondContact O-N 3.15Å; V52-S56 VanDerWaalsContact O-N 3.12Å; V52-S56 PolarHBondContact O-OG 2.82Å; S56-L58 PolarHBondContact O-N 2.99Å; S56-L59 PolarHBondContact O-N 2.94Å |
| 57 | S | 43.2 | Very low | 45 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -77.1 | 5.1 | 179.6 | 71.2 | 0 | 0 | 0 | 0 | 114.6 | R55 | R55-S57 PolarHBondContact O-N 2.8Š|
| 58 | L | 43.5 | Very low | 47.3 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 83% | 0.827 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -115.8 | 9.2 | 174 | -65.5 | 174.7 | 0 | 0 | 0 | 113.1 | S56 | S56-L58 PolarHBondContact O-N 2.99Š|
| 59 | L | 40.7 | Very low | 49.7 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 62% | 0.618 | 66% | 0.655 | S | S | * | * | trans | -108.6 | 16.4 | 172 | -102.8 | 141.8 | 0 | 0 | 0 | 112.2 | S56 S61 | S56-L59 PolarHBondContact O-N 2.94Å; L59-S61 PolarHBondContact O-N 2.91Å | ||
| 60 | G | 36.3 | Very low | 52.1 | Low | 80 Ų | 80 | 129 Ų | 129 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 5.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 61 | S | 40 | Very low | 54.6 | Low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 8.5 | -179.7 | 71.9 | 0 | 0 | 0 | 0 | 114.2 | L59 | L59-S61 PolarHBondContact O-N 2.91Š|
| 62 | R | 46.5 | Very low | 57.3 | Low | 180 Ų | 180 | 126.5 Ų | 126.5 | 68% | 0.679 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -120.4 | 16.6 | -175.2 | -140.6 | -180 | -176.2 | -175.8 | 1.3 | 114.7 | ||
| 63 | L | 43.6 | Very low | 59.8 | Low | 167 Ų | 167 | 127.4 Ų | 127.4 | 87% | 0.874 | 64% | 0.644 | S | S | * | * | trans | -132.4 | 50.7 | 178.5 | -83.9 | 159.2 | 0 | 0 | 0 | 110.9 | ||||
| 64 | E | 47 | Very low | 62.7 | Low | 137 Ų | 137 | 118.6 Ų | 118.6 | 64% | 0.64 | 62% | 0.617 | S | S | * | * | trans | -127.2 | 50.8 | 143.3 | -92.2 | -176.9 | 170.5 | 0 | 0 | 106.1 | T66 K162 | E64-T66 PolarHBondContact O-N 2.92Å; E64-K162 IonicContact OE1-NZ 3.81Å; E64-K162 PolarHBondContact OE1-NZ 2.73Å; E64-K162 IonicContact OE2-NZ 3.29Å; E64-K162 PolarHBondContact OE2-NZ 2.88Å | ||
| 65 | E | 49.3 | Very low | 65.4 | Low | 153 Ų | 153 | 108.3 Ų | 108.3 | 72% | 0.715 | 58% | 0.579 | S | S | * | * | trans | -72.4 | 73.3 | 154.4 | -81 | 179.2 | -178.1 | 0 | 0 | 106.2 | L67 | E65-L67 PolarHBondContact O-N 3.26Å; E65-L67 VanDerWaalsContact O-N 3.17Å | ||
| 66 | T | 60.1 | Low | 68.4 | Low | 72 Ų | 72 | 99.7 Ų | 99.7 | 44% | 0.442 | 55% | 0.549 | S | S | . | . | trans | -50.6 | 120.7 | 153 | 30.6 | 0 | 0 | 0 | 0 | 105.7 | E64 Y68 | E64-T66 PolarHBondContact O-N 2.92Å; T66-Y68 VanDerWaalsContact O-CD2 3.23Å; T66-Y68 WeakPolarHBondContact O-CD2 3.49Å; T66-Y68 PolarHBondContact O-N 3.16Å; T66-Y68 WeakPolarHBondContact OG1-CE2 3.49Å; T66-Y68 PolarHBondContact OG1-OH 3.01Å | ||
| 67 | L | 81.2 | Confident | 71.3 | Confident | 172 Ų | 172 | 102.2 Ų | 102.2 | 90% | 0.901 | 55% | 0.554 | S | S | * | * | trans | -65.9 | 78.9 | 180 | -66.5 | 166.8 | 0 | 0 | 0 | 108.7 | E65 | E65-L67 PolarHBondContact O-N 3.26Å; E65-L67 VanDerWaalsContact O-N 3.17Å | ||
| 68 | Y | 92.1 | Very high | 73.9 | Confident | 66 Ų | 66 | 100 Ų | 100 | 26% | 0.259 | 53% | 0.532 | S | S | . | . | trans | -69.4 | 137 | 173.4 | -65.3 | -64.3 | 0 | 0 | 0 | 108.9 | T66 E72 L73 L76 I160 G161 | T66-Y68 VanDerWaalsContact O-CD2 3.23Å; T66-Y68 WeakPolarHBondContact O-CD2 3.49Å; T66-Y68 PolarHBondContact O-N 3.16Å; T66-Y68 WeakPolarHBondContact OG1-CE2 3.49Å; T66-Y68 PolarHBondContact OG1-OH 3.01Å; Y68-E72 WeakPolarHBondContact CA-OE2 3.23Å; Y68-E72 HydrophobicContact CD1-CB 4.04Å; Y68-E72 HydrophobicContact CG-CB 4.36Å; Y68-L73 HydrophobicContact CD2-CD2 4.18Å; Y68-L73 HydrophobicContact CG-CD2 4.4Å; Y68-L76 HydrophobicContact CD1-CD1 4.12Å; Y68-L76 HydrophobicContact CD2-CD1 3.66Å; Y68-L76 HydrophobicContact CE1-CD1 4.22Å; Y68-L76 HydrophobicContact CE2-CD1 3.77Å; Y68-L76 HydrophobicContact CG-CD1 3.85Å; Y68-I160 HydrophobicContact CD1-CG2 3.91Å; Y68-I160 HydrophobicContact CE1-CG2 3.8Å; Y68-G161 WeakPolarHBondContact OH-CA 3.4Å | ||
| 69 | S | 95.1 | Very high | 76.5 | Confident | 56 Ų | 56 | 92.4 Ų | 92.4 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | trans | -63 | 159.8 | 166.5 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | Q71 E72 L73 | S69-Q71 PolarHBondContact O-N 3.2Å; S69-Q71 VanDerWaalsContact O-N 3.16Å; S69-E72 WeakPolarHBondContact CB-OE2 3.49Å; S69-E72 PolarHBondContact N-OE2 3.4Å; S69-E72 PolarHBondContact O-N 3.38Å; S69-E72 VanDerWaalsContact OG-CG 3.29Å; S69-E72 WeakPolarHBondContact OG-CG 2.93Å; S69-E72 PolarHBondContact OG-N 3.44Å; S69-E72 PolarHBondContact OG-OE2 2.87Å; S69-L73 WeakPolarHBondContact O-CG 3.29Å; S69-L73 PolarHBondContact O-N 3.36Å | ||
| 70 | D | 95.8 | Very high | 79.2 | Confident | 142 Ų | 142 | 91.1 Ų | 91.1 | 76% | 0.759 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -54.9 | -35.1 | 175.5 | -67.8 | -20.8 | 0 | 0 | 0 | 112.1 | L73 A74 | D70-L73 PolarHBondContact O-N 2.79Å; D70-A74 PolarHBondContact O-N 2.63Å |
| 71 | Q | 96.1 | Very high | 82.2 | Confident | 104 Ų | 104 | 90.3 Ų | 90.3 | 49% | 0.486 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 176.4 | -171.5 | 63 | 41.7 | 0 | 0 | 112 | S69 A74 Y75 | S69-Q71 PolarHBondContact O-N 3.2Å; S69-Q71 VanDerWaalsContact O-N 3.16Å; Q71-A74 WeakPolarHBondContact O-CB 3.2Å; Q71-A74 PolarHBondContact O-N 3.49Å; Q71-Y75 HydrophobicContact CG-CD2 4.21Å; Q71-Y75 HydrophobicContact CG-CE2 3.56Å; Q71-Y75 PolarHBondContact NE2-OH 3.44Å; Q71-Y75 VanDerWaalsContact NE2-OH 3.09Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.02Å; Q71-Y75 PolarHBondContact O-N 3.06Å; Q71-Y75 VanDerWaalsContact O-N 3.08Å |
| 72 | E | 97.1 | Very high | 85 | Confident | 46 Ų | 46 | 84.8 Ų | 84.8 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 175.8 | -74.9 | 167 | 135 | 0 | 0 | 111.8 | Y68 S69 A74 Y75 L76 I160 | Y68-E72 WeakPolarHBondContact CA-OE2 3.23Å; Y68-E72 HydrophobicContact CD1-CB 4.04Å; Y68-E72 HydrophobicContact CG-CB 4.36Å; S69-E72 WeakPolarHBondContact CB-OE2 3.49Å; S69-E72 PolarHBondContact N-OE2 3.4Å; S69-E72 PolarHBondContact O-N 3.38Å; S69-E72 VanDerWaalsContact OG-CG 3.29Å; S69-E72 WeakPolarHBondContact OG-CG 2.93Å; S69-E72 PolarHBondContact OG-N 3.44Å; S69-E72 PolarHBondContact OG-OE2 2.87Å; E72-A74 VanDerWaalsContact C-N 3.29Å; E72-A74 PolarHBondContact O-N 3.09Å; E72-Y75 PolarHBondContact O-N 2.79Å; E72-L76 VanDerWaalsContact O-CG 3.28Å; E72-L76 WeakPolarHBondContact O-CG 3.16Å; E72-L76 PolarHBondContact O-N 3.42Å; E72-I160 HydrophobicContact CB-CG2 3.79Å; E72-I160 HydrophobicContact CG-CD1 4.24Å; E72-I160 HydrophobicContact CG-CG1 4.36Å; E72-I160 HydrophobicContact CG-CG2 3.98Å |
| 73 | L | 97 | Very high | 87.4 | Confident | 86 Ų | 86 | 76.3 Ų | 76.3 | 45% | 0.45 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 172.7 | -69 | 175 | 0 | 0 | 0 | 111.7 | Y68 S69 D70 L76 Q77 | Y68-L73 HydrophobicContact CD2-CD2 4.18Å; Y68-L73 HydrophobicContact CG-CD2 4.4Å; S69-L73 WeakPolarHBondContact O-CG 3.29Å; S69-L73 PolarHBondContact O-N 3.36Å; D70-L73 PolarHBondContact O-N 2.79Å; L73-L76 HydrophobicContact CD2-CD1 4.21Å; L73-L76 PolarHBondContact O-N 2.81Å; L73-Q77 WeakPolarHBondContact O-CB 3.35Å; L73-Q77 PolarHBondContact O-N 3.06Å |
| 74 | A | 97.9 | Very high | 90 | Very high | 33 Ų | 33 | 74.3 Ų | 74.3 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | D70 Q71 E72 Q77 Q78 | D70-A74 PolarHBondContact O-N 2.63Å; Q71-A74 WeakPolarHBondContact O-CB 3.2Å; Q71-A74 PolarHBondContact O-N 3.49Å; E72-A74 VanDerWaalsContact C-N 3.29Å; E72-A74 PolarHBondContact O-N 3.09Å; A74-Q77 PolarHBondContact O-N 3.37Å; A74-Q78 VanDerWaalsContact O-CG 3.31Å; A74-Q78 WeakPolarHBondContact O-CG 3.49Å; A74-Q78 PolarHBondContact O-N 3.24Å |
| 75 | Y | 98.5 | Very high | 92.4 | Very high | 9 Ų | 9 | 72.9 Ų | 72.9 | 4% | 0.035 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 175.3 | -66.1 | -50.9 | 0 | 0 | 0 | 112.5 | Q71 E72 Q77 Q78 G79 I160 I166 V187 T204 D205 F206 | Q71-Y75 HydrophobicContact CG-CD2 4.21Å; Q71-Y75 HydrophobicContact CG-CE2 3.56Å; Q71-Y75 PolarHBondContact NE2-OH 3.44Å; Q71-Y75 VanDerWaalsContact NE2-OH 3.09Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.02Å; Q71-Y75 PolarHBondContact O-N 3.06Å; Q71-Y75 VanDerWaalsContact O-N 3.08Å; E72-Y75 PolarHBondContact O-N 2.79Å; Y75-Q77 VanDerWaalsContact C-N 3.31Å; Y75-Q77 PolarHBondContact O-N 3.49Å; Y75-Q78 PolarHBondContact O-N 3.08Å; Y75-G79 PolarHBondContact O-N 2.64Å; Y75-I160 HydrophobicContact CD2-CD1 3.48Å; Y75-I160 VanDerWaalsContact CD2-CD1 3.48Å; Y75-I160 HydrophobicContact CE2-CD1 4.46Å; Y75-I160 HydrophobicContact CG-CD1 3.89Å; Y75-I166 HydrophobicContact CD1-CD1 4Å; Y75-I166 HydrophobicContact CD2-CD1 3.67Å; Y75-I166 HydrophobicContact CE1-CD1 3.86Å; Y75-I166 HydrophobicContact CE2-CD1 3.47Å; Y75-I166 VanDerWaalsContact CE2-CD1 3.47Å; Y75-I166 HydrophobicContact CG-CD1 3.92Å; Y75-V187 WeakPolarHBondContact O-CG2 3.17Å; Y75-T204 HydrophobicContact CD1-CG2 4.48Å; Y75-T204 WeakPolarHBondContact CD1-OG1 3.43Å; Y75-T204 HydrophobicContact CE1-CG2 4.15Å; Y75-T204 WeakPolarHBondContact CE1-OG1 3.48Å; Y75-D205 WeakPolarHBondContact CE1-O 3.49Å; Y75-D205 PolarHBondContact OH-O 3.25Å; Y75-F206 HydrophobicContact CE2-CD2 4.43Å; Y75-F206 WeakPolarHBondContact OH-CD2 3.48Å |
| 76 | L | 98.1 | Very high | 94.7 | Very high | 37 Ų | 37 | 65.6 Ų | 65.6 | 19% | 0.194 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 174.2 | -72.8 | 165.8 | 0 | 0 | 0 | 110.8 | Y68 E72 L73 G79 E80 I160 T164 | Y68-L76 HydrophobicContact CD1-CD1 4.12Å; Y68-L76 HydrophobicContact CD2-CD1 3.66Å; Y68-L76 HydrophobicContact CE1-CD1 4.22Å; Y68-L76 HydrophobicContact CE2-CD1 3.77Å; Y68-L76 HydrophobicContact CG-CD1 3.85Å; E72-L76 VanDerWaalsContact O-CG 3.28Å; E72-L76 WeakPolarHBondContact O-CG 3.16Å; E72-L76 PolarHBondContact O-N 3.42Å; L73-L76 HydrophobicContact CD2-CD1 4.21Å; L73-L76 PolarHBondContact O-N 2.81Å; L76-G79 PolarHBondContact O-N 2.99Å; L76-E80 PolarHBondContact O-N 2.94Å; L76-I160 HydrophobicContact CD1-CG2 4.15Å; L76-I160 HydrophobicContact CD2-CG2 4.11Å; L76-I160 HydrophobicContact CG-CG2 3.92Å; L76-T164 HydrophobicContact CD2-CG2 4.31Å |
| 77 | Q | 98.2 | Very high | 96.5 | Very high | 115 Ų | 115 | 64.5 Ų | 64.5 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 176.8 | -177.5 | 178.4 | -13.6 | 0 | 0 | 111.9 | L73 A74 Y75 G79 E80 E81 | L73-Q77 WeakPolarHBondContact O-CB 3.35Å; L73-Q77 PolarHBondContact O-N 3.06Å; A74-Q77 PolarHBondContact O-N 3.37Å; Y75-Q77 VanDerWaalsContact C-N 3.31Å; Y75-Q77 PolarHBondContact O-N 3.49Å; Q77-G79 VanDerWaalsContact C-N 3.3Å; Q77-G79 PolarHBondContact O-N 3.3Å; Q77-E80 PolarHBondContact O-N 2.77Å; Q77-E80 VanDerWaalsContact O-N 3.16Å; Q77-E81 HydrophobicContact CG-CG 4.3Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.47Å; Q77-E81 PolarHBondContact NE2-OE1 2.89Å; Q77-E81 WeakPolarHBondContact O-CG 3.28Å; Q77-E81 PolarHBondContact O-N 2.82Å |
| 78 | Q | 98.4 | Very high | 97.2 | Very high | 52 Ų | 52 | 58 Ų | 58 | 24% | 0.243 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 178.2 | -71.8 | 174.6 | 30.5 | 0 | 0 | 112.3 | A74 Y75 E80 E81 A82 V187 T204 | A74-Q78 VanDerWaalsContact O-CG 3.31Å; A74-Q78 WeakPolarHBondContact O-CG 3.49Å; A74-Q78 PolarHBondContact O-N 3.24Å; Y75-Q78 PolarHBondContact O-N 3.08Å; Q78-E80 VanDerWaalsContact C-N 3.34Å; Q78-E80 PolarHBondContact O-N 2.82Å; Q78-E81 PolarHBondContact O-N 2.99Å; Q78-A82 WeakPolarHBondContact O-CB 3.46Å; Q78-A82 PolarHBondContact O-N 3.25Å; Q78-V187 HydrophobicContact CB-CG1 3.69Å; Q78-T204 PolarHBondContact OE1-OG1 2.87Å |
| 79 | G | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y75 L76 Q77 M83 | Y75-G79 PolarHBondContact O-N 2.64Å; L76-G79 PolarHBondContact O-N 2.99Å; Q77-G79 VanDerWaalsContact C-N 3.3Å; Q77-G79 PolarHBondContact O-N 3.3Å; G79-M83 PolarHBondContact O-N 2.73Å |
| 80 | E | 97.6 | Very high | 97.6 | Very high | 90 Ų | 90 | 54 Ų | 54 | 42% | 0.421 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 176.4 | -67.4 | -164.7 | 165.4 | 0 | 0 | 112.8 | L76 Q77 Q78 A82 M83 Q84 K191 | L76-E80 PolarHBondContact O-N 2.94Å; Q77-E80 PolarHBondContact O-N 2.77Å; Q77-E80 VanDerWaalsContact O-N 3.16Å; Q78-E80 VanDerWaalsContact C-N 3.34Å; Q78-E80 PolarHBondContact O-N 2.82Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 2.76Å; E80-M83 WeakPolarHBondContact O-CB 3.43Å; E80-M83 PolarHBondContact O-N 2.79Å; E80-Q84 WeakPolarHBondContact O-CG 3.34Å; E80-Q84 PolarHBondContact O-N 3.17Å; E80-K191 IonicContact OE1-NZ 2.68Å; E80-K191 PolarHBondContact OE1-NZ 3.28Å |
| 81 | E | 98.2 | Very high | 97.6 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 175.2 | -75.1 | -174.4 | -159.3 | 0 | 0 | 111.6 | Q77 Q78 M83 Q84 K85 M202 | Q77-E81 HydrophobicContact CG-CG 4.3Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.47Å; Q77-E81 PolarHBondContact NE2-OE1 2.89Å; Q77-E81 WeakPolarHBondContact O-CG 3.28Å; Q77-E81 PolarHBondContact O-N 2.82Å; Q78-E81 PolarHBondContact O-N 2.99Å; E81-M83 VanDerWaalsContact C-N 3.31Å; E81-M83 PolarHBondContact O-N 3.27Å; E81-Q84 PolarHBondContact O-N 2.98Å; E81-K85 WeakPolarHBondContact O-CB 3.4Å; E81-K85 VanDerWaalsContact O-CG 3.31Å; E81-K85 WeakPolarHBondContact O-CG 3.05Å; E81-K85 PolarHBondContact O-N 2.87Å; E81-K85 IonicContact OE2-NZ 3.67Å; E81-K85 PolarHBondContact OE2-NZ 2.83Å; E81-M202 HydrophobicContact CB-CE 4.06Å |
| 82 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q78 E80 A86 M202 | Q78-A82 WeakPolarHBondContact O-CB 3.46Å; Q78-A82 PolarHBondContact O-N 3.25Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 2.76Å; A82-A86 WeakPolarHBondContact O-CB 3.26Å; A82-A86 PolarHBondContact O-N 3.1Å; A82-M202 HydrophobicContact CB-CB 4.13Å; A82-M202 HydrophobicContact CB-CE 3.44Å; A82-M202 VanDerWaalsContact CB-CE 3.44Å; A82-M202 HydrophobicContact CB-CG 4.03Å |
| 83 | M | 97.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 178.6 | -171.2 | 172.7 | -69.1 | 0 | 0 | 111.8 | G79 E80 E81 L87 C189 K191 V198 A200 | G79-M83 PolarHBondContact O-N 2.73Å; E80-M83 WeakPolarHBondContact O-CB 3.43Å; E80-M83 PolarHBondContact O-N 2.79Å; E81-M83 VanDerWaalsContact C-N 3.31Å; E81-M83 PolarHBondContact O-N 3.27Å; M83-L87 HydrophobicContact CG-CD1 3.8Å; M83-L87 HydrophobicContact CG-CG 4.4Å; M83-L87 VanDerWaalsContact O-CB 3.29Å; M83-L87 WeakPolarHBondContact O-CB 3.43Å; M83-L87 WeakPolarHBondContact O-CG 3.32Å; M83-L87 PolarHBondContact O-N 3.35Å; M83-C189 HydrophobicContact CE-CB 4.09Å; M83-C189 WeakPolarHBondContact CE-O 3.38Å; M83-K191 HydrophobicContact CE-CB 3.82Å; M83-K191 HydrophobicContact CE-CD 4.15Å; M83-K191 HydrophobicContact CE-CG 3.89Å; M83-K191 HydrophobicContact SD-CB 4.16Å; M83-K191 HydrophobicContact SD-CD 4.03Å; M83-K191 HydrophobicContact SD-CG 4.33Å; M83-V198 HydrophobicContact CE-CB 4.44Å; M83-V198 HydrophobicContact CE-CG1 4.33Å; M83-V198 HydrophobicContact CG-CG1 4.39Å; M83-A200 VanDerWaalsContact CA-CB 3.45Å; M83-A200 HydrophobicContact CB-CB 3.61Å; M83-A200 HydrophobicContact CE-CB 4Å; M83-A200 HydrophobicContact CG-CB 4.03Å |
| 84 | Q | 97.6 | Very high | 96.8 | Very high | 125 Ų | 125 | 57.1 Ų | 57.1 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.4 | -47.3 | -179.6 | -71.8 | -179.5 | -2.8 | 0 | 0 | 111.8 | E80 E81 G88 | E80-Q84 WeakPolarHBondContact O-CG 3.34Å; E80-Q84 PolarHBondContact O-N 3.17Å; E81-Q84 PolarHBondContact O-N 2.98Å; Q84-G88 PolarHBondContact O-N 3.37Å |
| 85 | K | 97.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 58.3 Ų | 58.3 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 179 | -72.1 | 171.7 | -179.6 | 164.6 | 0 | 111.3 | E81 G88 I89 P222 | E81-K85 WeakPolarHBondContact O-CB 3.4Å; E81-K85 VanDerWaalsContact O-CG 3.31Å; E81-K85 WeakPolarHBondContact O-CG 3.05Å; E81-K85 PolarHBondContact O-N 2.87Å; E81-K85 IonicContact OE2-NZ 3.67Å; E81-K85 PolarHBondContact OE2-NZ 2.83Å; K85-G88 PolarHBondContact O-N 3.31Å; K85-I89 WeakPolarHBondContact O-CG1 3.48Å; K85-I89 PolarHBondContact O-N 2.79Å; K85-P222 HydrophobicContact CB-CB 3.89Å; K85-P222 HydrophobicContact CB-CG 3.99Å; K85-P222 HydrophobicContact CD-CG 4.15Å |
| 86 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -44.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A82 G88 I89 L90 P222 C224 L242 | A82-A86 WeakPolarHBondContact O-CB 3.26Å; A82-A86 PolarHBondContact O-N 3.1Å; A86-G88 VanDerWaalsContact C-N 3.31Å; A86-G88 PolarHBondContact O-N 2.94Å; A86-I89 PolarHBondContact O-N 2.84Å; A86-L90 PolarHBondContact O-N 2.6Å; A86-P222 HydrophobicContact CB-CB 4.29Å; A86-C224 HydrophobicContact CB-CB 3.71Å; A86-C224 VanDerWaalsContact CB-SG 3.6Å; A86-L242 HydrophobicContact CB-CD2 3.87Å; A86-L242 WeakPolarHBondContact O-CD2 3.34Å |
| 87 | L | 97.2 | Very high | 96.5 | Very high | 48 Ų | 48 | 64.7 Ų | 64.7 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -35.4 | 174.3 | -68.2 | 176.1 | 0 | 0 | 0 | 111.8 | M83 L90 S91 V198 V226 | M83-L87 HydrophobicContact CG-CD1 3.8Å; M83-L87 HydrophobicContact CG-CG 4.4Å; M83-L87 VanDerWaalsContact O-CB 3.29Å; M83-L87 WeakPolarHBondContact O-CB 3.43Å; M83-L87 WeakPolarHBondContact O-CG 3.32Å; M83-L87 PolarHBondContact O-N 3.35Å; L87-L90 PolarHBondContact O-N 2.68Å; L87-S91 WeakPolarHBondContact O-CB 3.3Å; L87-S91 PolarHBondContact O-N 3.18Å; L87-V198 HydrophobicContact CD2-CG1 4.28Å; L87-V226 HydrophobicContact CD2-CG2 3.9Å |
| 88 | G | 97.2 | Very high | 96.5 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q84 K85 A86 L90 S91 N92 | Q84-G88 PolarHBondContact O-N 3.37Å; K85-G88 PolarHBondContact O-N 3.31Å; A86-G88 VanDerWaalsContact C-N 3.31Å; A86-G88 PolarHBondContact O-N 2.94Å; G88-L90 VanDerWaalsContact C-N 3.35Å; G88-L90 PolarHBondContact O-N 3.36Å; G88-S91 PolarHBondContact O-N 3.41Å; G88-S91 PolarHBondContact O-OG 2.77Å; G88-N92 PolarHBondContact O-N 3.14Å |
| 89 | I | 97.5 | Very high | 96.4 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 175 | -67.3 | 164.6 | 0 | 0 | 0 | 111.1 | K85 A86 S91 N92 W96 V113 V119 L242 | K85-I89 WeakPolarHBondContact O-CG1 3.48Å; K85-I89 PolarHBondContact O-N 2.79Å; A86-I89 PolarHBondContact O-N 2.84Å; I89-S91 VanDerWaalsContact C-N 3.31Å; I89-S91 PolarHBondContact O-N 3.27Å; I89-N92 PolarHBondContact O-N 3.44Å; I89-W96 HydrophobicContact CG2-CH2 3.97Å; I89-W96 HydrophobicContact CG2-CZ2 3.86Å; I89-V113 HydrophobicContact CD1-CG1 4.18Å; I89-V113 HydrophobicContact CD1-CG2 4.35Å; I89-V113 HydrophobicContact CG1-CG1 4.1Å; I89-V113 HydrophobicContact CG1-CG2 4.23Å; I89-V113 HydrophobicContact CG2-CG2 4.03Å; I89-V119 HydrophobicContact CG2-CG2 4.22Å; I89-L242 HydrophobicContact CB-CD2 3.86Å; I89-L242 HydrophobicContact CD1-CD2 4.04Å; I89-L242 HydrophobicContact CG2-CD1 3.82Å; I89-L242 HydrophobicContact CG2-CD2 3.85Å |
| 90 | L | 96.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.2 | -30.9 | 179.2 | -73.2 | -177.7 | 0 | 0 | 0 | 113.2 | A86 L87 G88 N92 Q93 R121 C224 V226 T240 L242 | A86-L90 PolarHBondContact O-N 2.6Å; L87-L90 PolarHBondContact O-N 2.68Å; G88-L90 VanDerWaalsContact C-N 3.35Å; G88-L90 PolarHBondContact O-N 3.36Å; L90-N92 VanDerWaalsContact C-N 3.3Å; L90-N92 PolarHBondContact O-N 2.94Å; L90-Q93 PolarHBondContact O-NE2 2.82Å; L90-R121 VanDerWaalsContact CD2-CD 3.5Å; L90-R121 HydrophobicContact CD2-CG 3.86Å; L90-C224 VanDerWaalsContact CD1-SG 3.51Å; L90-V226 HydrophobicContact CD1-CG2 3.86Å; L90-T240 HydrophobicContact CD1-CG2 4.12Å; L90-T240 HydrophobicContact CD2-CG2 3.93Å; L90-L242 HydrophobicContact CD1-CB 4.37Å; L90-L242 HydrophobicContact CD2-CB 4.02Å; L90-L242 HydrophobicContact CD2-CD1 4.26Å; L90-L242 HydrophobicContact CG-CB 4.18Å; L90-L242 HydrophobicContact CG-CD2 4.41Å |
| 91 | S | 95.3 | Very high | 96.1 | Very high | 87 Ų | 87 | 67.4 Ų | 67.4 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.8 | -32.9 | -179.6 | 75.8 | 0 | 0 | 0 | 0 | 112.3 | L87 G88 I89 Q93 | L87-S91 WeakPolarHBondContact O-CB 3.3Å; L87-S91 PolarHBondContact O-N 3.18Å; G88-S91 PolarHBondContact O-N 3.41Å; G88-S91 PolarHBondContact O-OG 2.77Å; I89-S91 VanDerWaalsContact C-N 3.31Å; I89-S91 PolarHBondContact O-N 3.27Å; S91-Q93 PolarHBondContact O-N 3.26Å; S91-Q93 PolarHBondContact O-NE2 3.24Å |
| 92 | N | 92.7 | Very high | 96 | Very high | 77 Ų | 77 | 67.1 Ų | 67.1 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | trans | -78.5 | 101.2 | 175.9 | -175.5 | -27.1 | 0 | 0 | 0 | 110.9 | G88 I89 L90 E94 W96 K111 | G88-N92 PolarHBondContact O-N 3.14Å; I89-N92 PolarHBondContact O-N 3.44Å; L90-N92 VanDerWaalsContact C-N 3.3Å; L90-N92 PolarHBondContact O-N 2.94Å; N92-E94 VanDerWaalsContact C-N 3.31Å; N92-E94 PolarHBondContact O-N 2.97Å; N92-E94 PolarHBondContact OD1-N 2.94Å; N92-E94 PolarHBondContact OD1-O 3.36Å; N92-W96 PolarHBondContact O-NE1 3.09Å; N92-K111 PolarHBondContact ND2-NZ 3.13Å; N92-K111 PolarHBondContact OD1-NZ 3.36Å; N92-K111 VanDerWaalsContact OD1-NZ 3.08Å | ||
| 93 | Q | 90.4 | Very high | 95.8 | Very high | 121 Ų | 121 | 75.7 Ų | 75.7 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | trans | -76.8 | -10.7 | -179.7 | -59 | -49.5 | -44.7 | 0 | 0 | 114.5 | L90 S91 | L90-Q93 PolarHBondContact O-NE2 2.82Å; S91-Q93 PolarHBondContact O-N 3.26Å; S91-Q93 PolarHBondContact O-NE2 3.24Å | ||
| 94 | E | 91.3 | Very high | 95.5 | Very high | 159 Ų | 159 | 79.6 Ų | 79.6 | 74% | 0.743 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 151.2 | -176.7 | -63.8 | -178.2 | -178.8 | 0 | 0 | 112.2 | N92 W96 K111 | N92-E94 VanDerWaalsContact C-N 3.31Å; N92-E94 PolarHBondContact O-N 2.97Å; N92-E94 PolarHBondContact OD1-N 2.94Å; N92-E94 PolarHBondContact OD1-O 3.36Å; E94-W96 VanDerWaalsContact C-N 3.33Å; E94-W96 PolarHBondContact O-N 2.84Å; E94-K111 WeakPolarHBondContact O-CE 3.2Å; E94-K111 PolarHBondContact O-NZ 3.38Å |
| 95 | G | 93.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 75.5 Ų | 75.5 | 61% | 0.608 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 7.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 96 | W | 97.6 | Very high | 95.4 | Very high | 29 Ų | 29 | 70.6 Ų | 70.6 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 127.9 | 170.8 | -68.8 | 96.7 | 0 | 0 | 0 | 111 | I89 N92 E94 M109 S110 K111 V119 R121 L242 | I89-W96 HydrophobicContact CG2-CH2 3.97Å; I89-W96 HydrophobicContact CG2-CZ2 3.86Å; N92-W96 PolarHBondContact O-NE1 3.09Å; E94-W96 VanDerWaalsContact C-N 3.33Å; E94-W96 PolarHBondContact O-N 2.84Å; W96-M109 HydrophobicContact CB-CB 4.27Å; W96-M109 HydrophobicContact CB-CE 4.01Å; W96-M109 HydrophobicContact CD2-CB 4.44Å; W96-M109 HydrophobicContact CE3-CB 3.81Å; W96-S110 CarbonylContact C-O 3.59Å; W96-S110 WeakPolarHBondContact CA-O 3.47Å; W96-K111 HydrophobicContact CD2-CB 3.94Å; W96-K111 HydrophobicContact CD2-CD 4.19Å; W96-K111 HydrophobicContact CE3-CB 3.62Å; W96-K111 HydrophobicContact CH2-CB 4.08Å; W96-K111 HydrophobicContact CZ2-CB 4.38Å; W96-K111 HydrophobicContact CZ2-CD 4.17Å; W96-K111 HydrophobicContact CZ3-CB 3.69Å; W96-V119 HydrophobicContact CH2-CG2 3.79Å; W96-V119 HydrophobicContact CZ3-CG2 4.01Å; W96-R121 HydrophobicContact CE3-CB 4.01Å; W96-R121 HydrophobicContact CH2-CB 3.77Å; W96-R121 HydrophobicContact CZ3-CB 3.47Å; W96-R121 VanDerWaalsContact CZ3-CB 3.47Å; W96-L242 HydrophobicContact CH2-CD1 3.67Å |
| 97 | K | 97.4 | Very high | 95.4 | Very high | 151 Ų | 151 | 74.9 Ų | 74.9 | 66% | 0.657 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141.7 | 174.8 | -63.1 | -176.9 | -179 | -177.2 | 0 | 109.6 | M109 S110 | K97-M109 CarbonylContact O-C 3.59Å; K97-M109 WeakPolarHBondContact O-CA 3.3Å; K97-S110 PolarHBondContact N-O 2.94Å; K97-S110 PolarHBondContact O-N 2.83Å |
| 98 | K | 97.1 | Very high | 95.4 | Very high | 131 Ų | 131 | 72.7 Ų | 72.7 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 122.9 | 177.4 | -172.4 | 179.8 | -177 | 178.9 | 0 | 109.8 | Q101 M109 | K98-Q101 VanDerWaalsContact NZ-CB 3.28Å; K98-M109 HydrophobicContact CB-CE 4.09Å; K98-M109 HydrophobicContact CB-SD 4Å; K98-M109 HydrophobicContact CG-SD 4.13Å |
| 99 | E | 96.5 | Very high | 95.5 | Very high | 68 Ų | 68 | 72.3 Ų | 72.3 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -43.1 | 172.8 | -65 | -71.2 | 162.9 | 0 | 0 | 110.4 | V108 S110 K118 F120 | E99-V108 HydrophobicContact CB-CB 4.45Å; E99-V108 HydrophobicContact CB-CG1 4.16Å; E99-V108 PolarHBondContact N-O 3.27Å; E99-S110 WeakPolarHBondContact OE1-CB 3.29Å; E99-S110 PolarHBondContact OE1-OG 3.39Å; E99-K118 VanDerWaalsContact OE1-CE 3.28Å; E99-K118 WeakPolarHBondContact OE1-CE 3.31Å; E99-K118 IonicContact OE1-NZ 3Å; E99-K118 PolarHBondContact OE1-NZ 2.87Å; E99-K118 IonicContact OE2-NZ 3.31Å; E99-F120 HydrophobicContact CG-CD1 4.26Å; E99-F120 HydrophobicContact CG-CE1 4.07Å |
| 100 | T | 95 | Very high | 95.5 | Very high | 46 Ų | 46 | 71.6 Ų | 71.6 | 28% | 0.282 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 151.4 | -177.3 | -53 | 0 | 0 | 0 | 0 | 111.7 | V108 S261 | T100-V108 PolarHBondContact N-O 3.5Å; T100-V108 VanDerWaalsContact N-O 3.15Å; T100-V108 PolarHBondContact O-N 2.82Å; T100-S261 PolarHBondContact OG1-OG 2.83Å |
| 101 | Q | 95.3 | Very high | 95.6 | Very high | 68 Ų | 68 | 72.2 Ų | 72.2 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.7 | 167.9 | 173.6 | 81.8 | 62.5 | 0 | 0 | 108.9 | K98 G105 D106 | K98-Q101 VanDerWaalsContact NZ-CB 3.28Å; Q101-G105 PolarHBondContact NE2-O 2.88Å; Q101-D106 WeakPolarHBondContact CA-O 3.49Å; Q101-D106 PolarHBondContact NE2-O 3.45Å; Q101-D106 VanDerWaalsContact NE2-O 3.11Å |
| 102 | Q | 95.5 | Very high | 95.7 | Very high | 58 Ų | 58 | 73.3 Ų | 73.3 | 27% | 0.271 | 38% | 0.384 | S | S | . | . | trans | -93.4 | 158.2 | 174.7 | -56.6 | -62.9 | -46.1 | 0 | 0 | 110.3 | N104 G105 D106 V265 | Q102-N104 WeakPolarHBondContact CB-OD1 3.42Å; Q102-N104 PolarHBondContact O-N 3.15Å; Q102-G105 PolarHBondContact O-N 2.95Å; Q102-D106 HydrophobicContact CB-CB 3.97Å; Q102-D106 HydrophobicContact CG-CB 3.92Å; Q102-D106 PolarHBondContact N-O 3.16Å; Q102-V265 HydrophobicContact CG-CG1 4.01Å; Q102-V265 HydrophobicContact CG-CG2 4.41Å | ||
| 103 | D | 94.1 | Very high | 95.8 | Very high | 179 Ų | 179 | 70.7 Ų | 70.7 | 96% | 0.957 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -29.1 | 179.6 | -63.5 | -26.2 | 0 | 0 | 0 | 112.8 | G105 | D103-G105 PolarHBondContact O-N 3.39Š|
| 104 | N | 92.8 | Very high | 96 | Very high | 85 Ų | 85 | 69.9 Ų | 69.9 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -0.1 | 175.5 | 69.4 | 2.7 | 0 | 0 | 0 | 113.8 | Q102 D106 R272 | Q102-N104 WeakPolarHBondContact CB-OD1 3.42Å; Q102-N104 PolarHBondContact O-N 3.15Å; N104-D106 PolarHBondContact ND2-OD2 2.84Å; N104-D106 VanDerWaalsContact OD1-CB 3.31Å; N104-D106 WeakPolarHBondContact OD1-CB 3.39Å; N104-D106 PolarHBondContact OD1-N 3.04Å; N104-D106 PolarHBondContact OD1-OD2 2.89Å; N104-R272 PolarHBondContact ND2-NH1 3.15Å |
| 105 | G | 94.9 | Very high | 95.8 | Very high | 39 Ų | 39 | 70.8 Ų | 70.8 | 40% | 0.402 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 96 | -6.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q101 Q102 D103 | Q101-G105 PolarHBondContact NE2-O 2.88Å; Q102-G105 PolarHBondContact O-N 2.95Å; D103-G105 PolarHBondContact O-N 3.39Å |
| 106 | D | 97.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | trans | -63.9 | 139.8 | 179.4 | -64.1 | -17.6 | 0 | 0 | 0 | 112 | Q101 Q102 N104 V124 R272 | Q101-D106 WeakPolarHBondContact CA-O 3.49Å; Q101-D106 PolarHBondContact NE2-O 3.45Å; Q101-D106 VanDerWaalsContact NE2-O 3.11Å; Q102-D106 HydrophobicContact CB-CB 3.97Å; Q102-D106 HydrophobicContact CG-CB 3.92Å; Q102-D106 PolarHBondContact N-O 3.16Å; N104-D106 PolarHBondContact ND2-OD2 2.84Å; N104-D106 VanDerWaalsContact OD1-CB 3.31Å; N104-D106 WeakPolarHBondContact OD1-CB 3.39Å; N104-D106 PolarHBondContact OD1-N 3.04Å; N104-D106 PolarHBondContact OD1-OD2 2.89Å; D106-V124 HydrophobicContact CB-CG1 3.8Å; D106-V124 VanDerWaalsContact OD1-CB 3.32Å; D106-V124 WeakPolarHBondContact OD1-CB 3.41Å; D106-V124 WeakPolarHBondContact OD1-CG1 3.5Å; D106-R272 VanDerWaalsContact CG-NH2 3.25Å; D106-R272 IonicContact OD1-CZ 2.68Å; D106-R272 IonicContact OD1-NH1 3.85Å; D106-R272 IonicContact OD1-NH2 3Å; D106-R272 PolarHBondContact OD1-NH2 2.87Å; D106-R272 IonicContact OD2-CZ 3.45Å; D106-R272 VanDerWaalsContact OD2-CZ 3.3Å; D106-R272 IonicContact OD2-NH1 2.89Å; D106-R272 PolarHBondContact OD2-NH1 2.76Å; D106-R272 IonicContact OD2-NH2 3.47Å; D106-R272 PolarHBondContact OD2-NH2 2.85Å; D106-R272 VanDerWaalsContact OD2-NH2 3.09Å | ||
| 107 | K | 97.8 | Very high | 95.7 | Very high | 90 Ų | 90 | 70.6 Ų | 70.6 | 39% | 0.391 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.5 | -177.2 | -69.4 | 171.2 | -168.1 | 177.3 | 0 | 110.4 | L122 E123 | K107-L122 CarbonylContact O-C 3.57Å; K107-L122 WeakPolarHBondContact O-CA 3.39Å; K107-E123 HydrophobicContact CB-CB 4.49Å; K107-E123 PolarHBondContact N-O 3.22Å; K107-E123 VanDerWaalsContact N-O 3.09Å; K107-E123 PolarHBondContact O-N 2.88Å |
| 108 | V | 98.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.3 | 163.9 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | E99 T100 F120 R121 L122 S261 Q264 V265 | E99-V108 HydrophobicContact CB-CB 4.45Å; E99-V108 HydrophobicContact CB-CG1 4.16Å; E99-V108 PolarHBondContact N-O 3.27Å; T100-V108 PolarHBondContact N-O 3.5Å; T100-V108 VanDerWaalsContact N-O 3.15Å; T100-V108 PolarHBondContact O-N 2.82Å; V108-F120 HydrophobicContact CG1-CD1 4.16Å; V108-R121 WeakPolarHBondContact CA-O 3.42Å; V108-L122 HydrophobicContact CG2-CD1 3.82Å; V108-S261 WeakPolarHBondContact CG1-OG 3.43Å; V108-Q264 HydrophobicContact CG2-CB 4.11Å; V108-V265 HydrophobicContact CG2-CG2 3.84Å |
| 109 | M | 98.3 | Very high | 95.7 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 14% | 0.143 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 158.1 | 176.5 | -50.7 | -63.2 | -70.5 | 0 | 0 | 109.5 | W96 K97 K98 F120 R121 | W96-M109 HydrophobicContact CB-CB 4.27Å; W96-M109 HydrophobicContact CB-CE 4.01Å; W96-M109 HydrophobicContact CD2-CB 4.44Å; W96-M109 HydrophobicContact CE3-CB 3.81Å; K97-M109 CarbonylContact O-C 3.59Å; K97-M109 WeakPolarHBondContact O-CA 3.3Å; K98-M109 HydrophobicContact CB-CE 4.09Å; K98-M109 HydrophobicContact CB-SD 4Å; K98-M109 HydrophobicContact CG-SD 4.13Å; M109-F120 CarbonylContact O-C 3.38Å; M109-F120 VanDerWaalsContact O-CA 3.29Å; M109-F120 WeakPolarHBondContact O-CA 3.46Å; M109-R121 HydrophobicContact CB-CB 4.38Å; M109-R121 PolarHBondContact N-O 2.81Å; M109-R121 PolarHBondContact O-N 3.11Å |
| 110 | S | 98.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.028 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.5 | 171.6 | 76 | 0 | 0 | 0 | 0 | 112.5 | W96 K97 E99 K118 V119 | W96-S110 CarbonylContact C-O 3.59Å; W96-S110 WeakPolarHBondContact CA-O 3.47Å; K97-S110 PolarHBondContact N-O 2.94Å; K97-S110 PolarHBondContact O-N 2.83Å; E99-S110 WeakPolarHBondContact OE1-CB 3.29Å; E99-S110 PolarHBondContact OE1-OG 3.39Å; S110-K118 WeakPolarHBondContact OG-CE 3.4Å; S110-V119 CarbonylContact C-O 3.42Å; S110-V119 WeakPolarHBondContact CA-O 3.39Å; S110-V119 WeakPolarHBondContact CB-O 3.33Å |
| 111 | K | 97.5 | Very high | 96 | Very high | 31 Ų | 31 | 55.8 Ų | 55.8 | 14% | 0.135 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 144.9 | 176.5 | -178.8 | 169.1 | 177.2 | 170.9 | 0 | 109.4 | N92 E94 W96 V113 K118 V119 | N92-K111 PolarHBondContact ND2-NZ 3.13Å; N92-K111 PolarHBondContact OD1-NZ 3.36Å; N92-K111 VanDerWaalsContact OD1-NZ 3.08Å; E94-K111 WeakPolarHBondContact O-CE 3.2Å; E94-K111 PolarHBondContact O-NZ 3.38Å; W96-K111 HydrophobicContact CD2-CB 3.94Å; W96-K111 HydrophobicContact CD2-CD 4.19Å; W96-K111 HydrophobicContact CE3-CB 3.62Å; W96-K111 HydrophobicContact CH2-CB 4.08Å; W96-K111 HydrophobicContact CZ2-CB 4.38Å; W96-K111 HydrophobicContact CZ2-CD 4.17Å; W96-K111 HydrophobicContact CZ3-CB 3.69Å; K111-V113 HydrophobicContact CG-CG2 4.24Å; K111-K118 CarbonylContact O-C 3.59Å; K111-K118 WeakPolarHBondContact O-CA 3.37Å; K111-V119 HydrophobicContact CB-CG2 4.18Å; K111-V119 PolarHBondContact N-O 2.86Å; K111-V119 WeakPolarHBondContact O-CG2 3.31Å; K111-V119 PolarHBondContact O-N 2.79Å |
| 112 | V | 97.2 | Very high | 96.2 | Very high | 110 Ų | 110 | 52.5 Ų | 52.5 | 67% | 0.667 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 115.6 | 168.5 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | G117 K118 | V112-G117 WeakPolarHBondContact CA-O 3.38Å; V112-K118 HydrophobicContact CG2-CB 4.38Å; V112-K118 HydrophobicContact CG2-CG 4.49Å |
| 113 | V | 96.8 | Very high | 96.3 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 13% | 0.127 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.5 | -179.8 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | I89 K111 D115 V116 G117 V119 | I89-V113 HydrophobicContact CD1-CG1 4.18Å; I89-V113 HydrophobicContact CD1-CG2 4.35Å; I89-V113 HydrophobicContact CG1-CG1 4.1Å; I89-V113 HydrophobicContact CG1-CG2 4.23Å; I89-V113 HydrophobicContact CG2-CG2 4.03Å; K111-V113 HydrophobicContact CG-CG2 4.24Å; V113-D115 PolarHBondContact O-N 3.41Å; V113-V116 HydrophobicContact CB-CB 4.09Å; V113-V116 HydrophobicContact CG1-CB 4.09Å; V113-V116 HydrophobicContact CG1-CG2 4.1Å; V113-V116 PolarHBondContact O-N 3.12Å; V113-G117 PolarHBondContact N-O 2.99Å; V113-G117 PolarHBondContact O-N 2.68Å; V113-V119 HydrophobicContact CG2-CG1 4.32Å; V113-V119 HydrophobicContact CG2-CG2 3.78Å |
| 114 | P | 93.5 | Very high | 96.5 | Very high | 104 Ų | 104 | 43.3 Ų | 43.3 | 68% | 0.675 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 140 | 172.9 | -26.2 | 35.1 | 0 | 0 | 0 | 111.4 | V116 | P114-V116 PolarHBondContact O-N 3.17Š|
| 115 | D | 88.1 | Confident | 96.7 | Very high | 179 Ų | 179 | 42.1 Ų | 42.1 | 96% | 0.957 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | -8.8 | 178 | -46.2 | -43.2 | 0 | 0 | 0 | 116.8 | V113 | V113-D115 PolarHBondContact O-N 3.41Š|
| 116 | V | 93.6 | Very high | 96.9 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 33% | 0.327 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -35.4 | 176.9 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | V113 P114 V119 P222 S244 | V113-V116 HydrophobicContact CB-CB 4.09Å; V113-V116 HydrophobicContact CG1-CB 4.09Å; V113-V116 HydrophobicContact CG1-CG2 4.1Å; V113-V116 PolarHBondContact O-N 3.12Å; P114-V116 PolarHBondContact O-N 3.17Å; V116-V119 HydrophobicContact CG1-CG1 3.74Å; V116-P222 HydrophobicContact CG2-CG 4.48Å; V116-S244 VanDerWaalsContact CG1-OG 3.26Å; V116-S244 WeakPolarHBondContact CG1-OG 3.39Å |
| 117 | G | 94.9 | Very high | 96.8 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 92 | -153.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | V112 V113 | V112-G117 WeakPolarHBondContact CA-O 3.38Å; V113-G117 PolarHBondContact N-O 2.99Å; V113-G117 PolarHBondContact O-N 2.68Å |
| 118 | K | 97 | Very high | 96.8 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 27% | 0.274 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 124 | -176.1 | -168.9 | 175 | 177.4 | -178.3 | 0 | 110.3 | E99 S110 K111 V112 F120 N257 | E99-K118 VanDerWaalsContact OE1-CE 3.28Å; E99-K118 WeakPolarHBondContact OE1-CE 3.31Å; E99-K118 IonicContact OE1-NZ 3Å; E99-K118 PolarHBondContact OE1-NZ 2.87Å; E99-K118 IonicContact OE2-NZ 3.31Å; S110-K118 WeakPolarHBondContact OG-CE 3.4Å; K111-K118 CarbonylContact O-C 3.59Å; K111-K118 WeakPolarHBondContact O-CA 3.37Å; V112-K118 HydrophobicContact CG2-CB 4.38Å; V112-K118 HydrophobicContact CG2-CG 4.49Å; K118-F120 HydrophobicContact CD-CE2 4.38Å; K118-F120 HydrophobicContact CD-CZ 4.04Å; K118-F120 HydrophobicContact CG-CE2 4.22Å; K118-F120 HydrophobicContact CG-CZ 4.34Å; K118-N257 WeakPolarHBondContact CD-OD1 3.12Å; K118-N257 PolarHBondContact NZ-ND2 3.04Å |
| 119 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 155.6 | 175.5 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | I89 W96 S110 K111 V113 V116 L242 L243 | I89-V119 HydrophobicContact CG2-CG2 4.22Å; W96-V119 HydrophobicContact CH2-CG2 3.79Å; W96-V119 HydrophobicContact CZ3-CG2 4.01Å; S110-V119 CarbonylContact C-O 3.42Å; S110-V119 WeakPolarHBondContact CA-O 3.39Å; S110-V119 WeakPolarHBondContact CB-O 3.33Å; K111-V119 HydrophobicContact CB-CG2 4.18Å; K111-V119 PolarHBondContact N-O 2.86Å; K111-V119 WeakPolarHBondContact O-CG2 3.31Å; K111-V119 PolarHBondContact O-N 2.79Å; V113-V119 HydrophobicContact CG2-CG1 4.32Å; V113-V119 HydrophobicContact CG2-CG2 3.78Å; V116-V119 HydrophobicContact CG1-CG1 3.74Å; V119-L242 HydrophobicContact CB-CD1 4.06Å; V119-L242 HydrophobicContact CG2-CD1 3.93Å; V119-L243 WeakPolarHBondContact CA-O 3.35Å |
| 120 | F | 98.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.3 | 178.2 | -64.3 | -98.3 | 0 | 0 | 0 | 110.2 | E99 V108 M109 K118 L242 L243 N257 L260 | E99-F120 HydrophobicContact CG-CD1 4.26Å; E99-F120 HydrophobicContact CG-CE1 4.07Å; V108-F120 HydrophobicContact CG1-CD1 4.16Å; M109-F120 CarbonylContact O-C 3.38Å; M109-F120 VanDerWaalsContact O-CA 3.29Å; M109-F120 WeakPolarHBondContact O-CA 3.46Å; K118-F120 HydrophobicContact CD-CE2 4.38Å; K118-F120 HydrophobicContact CD-CZ 4.04Å; K118-F120 HydrophobicContact CG-CE2 4.22Å; K118-F120 HydrophobicContact CG-CZ 4.34Å; F120-L242 CarbonylContact O-C 3.59Å; F120-L242 WeakPolarHBondContact O-CA 3.46Å; F120-L243 PolarHBondContact N-O 2.88Å; F120-L243 PolarHBondContact O-N 3.16Å; F120-N257 HydrophobicContact CZ-CB 3.99Å; F120-L260 HydrophobicContact CD2-CB 3.99Å; F120-L260 HydrophobicContact CD2-CD1 4.08Å; F120-L260 HydrophobicContact CE2-CB 3.91Å; F120-L260 HydrophobicContact CE2-CD1 3.74Å; F120-L260 HydrophobicContact CE2-CG 4.49Å; F120-L260 HydrophobicContact CG-CB 4.45Å; F120-L260 HydrophobicContact CZ-CB 4.27Å |
| 121 | R | 98.6 | Very high | 96.4 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 112.2 | 179.4 | -176.9 | -174.8 | 83 | 174.3 | 8.6 | 109.1 | L90 W96 V108 M109 E123 T240 W241 | L90-R121 VanDerWaalsContact CD2-CD 3.5Å; L90-R121 HydrophobicContact CD2-CG 3.86Å; W96-R121 HydrophobicContact CE3-CB 4.01Å; W96-R121 HydrophobicContact CH2-CB 3.77Å; W96-R121 HydrophobicContact CZ3-CB 3.47Å; W96-R121 VanDerWaalsContact CZ3-CB 3.47Å; V108-R121 WeakPolarHBondContact CA-O 3.42Å; M109-R121 HydrophobicContact CB-CB 4.38Å; M109-R121 PolarHBondContact N-O 2.81Å; M109-R121 PolarHBondContact O-N 3.11Å; R121-E123 HydrophobicContact CG-CG 4.39Å; R121-E123 IonicContact CZ-OE2 3.91Å; R121-E123 IonicContact NE-OE2 2.9Å; R121-E123 VanDerWaalsContact NH2-CD 3.35Å; R121-E123 IonicContact NH2-OE1 3.74Å; R121-E123 IonicContact NH2-OE2 2.73Å; R121-E123 PolarHBondContact NH2-OE2 3.44Å; R121-T240 HydrophobicContact CG-CG2 3.98Å; R121-W241 CarbonylContact C-O 3.46Å; R121-W241 WeakPolarHBondContact CA-O 3.32Å |
| 122 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.6 | 169.2 | 176.9 | 71.3 | 0 | 0 | 0 | 109.5 | K107 V108 V124 T240 W241 Q264 F267 A268 | K107-L122 CarbonylContact O-C 3.57Å; K107-L122 WeakPolarHBondContact O-CA 3.39Å; V108-L122 HydrophobicContact CG2-CD1 3.82Å; L122-V124 HydrophobicContact CD1-CG1 3.58Å; L122-V124 HydrophobicContact CD2-CG1 4.07Å; L122-V124 HydrophobicContact CG-CG1 3.74Å; L122-T240 CarbonylContact O-C 3.48Å; L122-T240 VanDerWaalsContact O-CA 3.31Å; L122-T240 WeakPolarHBondContact O-CA 3.46Å; L122-W241 HydrophobicContact CB-CB 4.17Å; L122-W241 HydrophobicContact CD2-CB 4.44Å; L122-W241 HydrophobicContact CD2-CE3 3.92Å; L122-W241 PolarHBondContact N-O 3.2Å; L122-W241 PolarHBondContact O-N 2.83Å; L122-Q264 HydrophobicContact CB-CB 4.03Å; L122-Q264 HydrophobicContact CB-CG 4.31Å; L122-Q264 HydrophobicContact CD1-CB 4.19Å; L122-Q264 HydrophobicContact CD2-CB 4.23Å; L122-Q264 WeakPolarHBondContact CD2-O 3.22Å; L122-Q264 HydrophobicContact CG-CB 4.36Å; L122-F267 HydrophobicContact CD2-CD1 4.23Å; L122-A268 HydrophobicContact CD2-CB 4.28Å |
| 123 | E | 98.1 | Very high | 96.3 | Very high | 38 Ų | 38 | 43.2 Ų | 43.2 | 18% | 0.178 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 118.1 | 168.9 | -66.4 | -172.1 | 103.3 | 0 | 0 | 109.7 | K107 R121 K238 T240 | K107-E123 HydrophobicContact CB-CB 4.49Å; K107-E123 PolarHBondContact N-O 3.22Å; K107-E123 VanDerWaalsContact N-O 3.09Å; K107-E123 PolarHBondContact O-N 2.88Å; R121-E123 HydrophobicContact CG-CG 4.39Å; R121-E123 IonicContact CZ-OE2 3.91Å; R121-E123 IonicContact NE-OE2 2.9Å; R121-E123 VanDerWaalsContact NH2-CD 3.35Å; R121-E123 IonicContact NH2-OE1 3.74Å; R121-E123 IonicContact NH2-OE2 2.73Å; R121-E123 PolarHBondContact NH2-OE2 3.44Å; E123-K238 IonicContact OE1-NZ 3.83Å; E123-K238 PolarHBondContact OE1-NZ 2.97Å; E123-T240 HydrophobicContact CG-CG2 4.38Å |
| 124 | V | 98.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 152 | 178.9 | -54.4 | 0 | 0 | 0 | 0 | 111 | D106 L122 V126 K238 L239 A268 | D106-V124 HydrophobicContact CB-CG1 3.8Å; D106-V124 VanDerWaalsContact OD1-CB 3.32Å; D106-V124 WeakPolarHBondContact OD1-CB 3.41Å; D106-V124 WeakPolarHBondContact OD1-CG1 3.5Å; L122-V124 HydrophobicContact CD1-CG1 3.58Å; L122-V124 HydrophobicContact CD2-CG1 4.07Å; L122-V124 HydrophobicContact CG-CG1 3.74Å; V124-V126 HydrophobicContact CG2-CG2 4.11Å; V124-K238 WeakPolarHBondContact O-CA 3.11Å; V124-L239 HydrophobicContact CG2-CB 3.72Å; V124-L239 HydrophobicContact CG2-CD2 3.84Å; V124-L239 HydrophobicContact CG2-CG 4.07Å; V124-L239 PolarHBondContact N-O 3.46Å; V124-L239 PolarHBondContact O-N 3.16Å; V124-A268 HydrophobicContact CG1-CB 3.88Å |
| 125 | V | 98 | Very high | 96.5 | Very high | 60 Ų | 60 | 41 Ų | 41 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.6 | 166.4 | 179.2 | 0 | 0 | 0 | 0 | 107.5 | L230 K236 T237 R272 | V125-L230 HydrophobicContact CG1-CD1 4.48Å; V125-L230 HydrophobicContact CG1-CD2 4.02Å; V125-L230 HydrophobicContact CG2-CD1 4.18Å; V125-K236 HydrophobicContact CG1-CB 4.32Å; V125-T237 WeakPolarHBondContact CA-O 3.4Å; V125-R272 PolarHBondContact O-NH2 3.39Å |
| 126 | V | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.4 | 179.3 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | V124 Q128 L133 K236 T237 R272 L275 | V124-V126 HydrophobicContact CG2-CG2 4.11Å; V126-Q128 HydrophobicContact CG1-CB 4.06Å; V126-Q128 HydrophobicContact CG1-CG 4.18Å; V126-Q128 PolarHBondContact O-N 3.2Å; V126-L133 HydrophobicContact CB-CD2 4.26Å; V126-L133 HydrophobicContact CG1-CD1 4.38Å; V126-L133 HydrophobicContact CG2-CD2 4.19Å; V126-K236 CarbonylContact O-C 3.56Å; V126-K236 WeakPolarHBondContact O-CA 3.48Å; V126-T237 PolarHBondContact N-O 3.29Å; V126-T237 PolarHBondContact O-N 3.09Å; V126-R272 HydrophobicContact CG1-CG 4.45Å; V126-L275 HydrophobicContact CG1-CD1 3.74Å |
| 127 | D | 96.2 | Very high | 97 | Very high | 105 Ų | 105 | 30 Ų | 30 | 56% | 0.561 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -79.5 | 48.9 | -178.9 | -67.6 | -36.2 | 0 | 0 | 0 | 112.4 | S235 K236 | D127-S235 CarbonylContact C-O 3.55Å; D127-K236 WeakPolarHBondContact OD1-CD 3.46Å; D127-K236 WeakPolarHBondContact OD1-CE 3.45Å; D127-K236 WeakPolarHBondContact OD1-CG 3.41Å; D127-K236 IonicContact OD1-NZ 2.83Å; D127-K236 PolarHBondContact OD1-NZ 2.84Å; D127-K236 IonicContact OD2-NZ 3.63Å |
| 128 | Q | 96.9 | Very high | 97.1 | Very high | 48 Ų | 48 | 29.5 Ų | 29.5 | 22% | 0.224 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -142.1 | 148.7 | -179.5 | -68.9 | -72.7 | -17.6 | 0 | 0 | 111.1 | V126 L133 S235 T237 L275 | V126-Q128 HydrophobicContact CG1-CB 4.06Å; V126-Q128 HydrophobicContact CG1-CG 4.18Å; V126-Q128 PolarHBondContact O-N 3.2Å; Q128-L133 HydrophobicContact CB-CD1 3.79Å; Q128-S235 CarbonylContact C-O 3.39Å; Q128-S235 VanDerWaalsContact CA-O 3.28Å; Q128-S235 WeakPolarHBondContact CA-O 3.33Å; Q128-S235 PolarHBondContact N-O 3.18Å; Q128-S235 VanDerWaalsContact N-O 3.12Å; Q128-T237 PolarHBondContact O-N 3.38Å; Q128-T237 PolarHBondContact O-OG1 2.87Å; Q128-L275 HydrophobicContact CB-CD1 4.23Å; Q128-L275 HydrophobicContact CG-CB 3.82Å; Q128-L275 HydrophobicContact CG-CD1 4.15Å |
| 129 | P | 96 | Very high | 97 | Very high | 48 Ų | 48 | 33 Ų | 33 | 31% | 0.312 | 16% | 0.164 | S | C | . | . | trans | -60 | 148.1 | 175.8 | -22.7 | 33.1 | 0 | 0 | 0 | 112.9 | E131 R132 L133 | P129-E131 VanDerWaalsContact C-N 3.28Å; P129-E131 PolarHBondContact O-N 2.9Å; P129-R132 HydrophobicContact CB-CG 4.44Å; P129-R132 HydrophobicContact CG-CG 4.5Å; P129-R132 WeakPolarHBondContact O-CB 3.26Å; P129-R132 PolarHBondContact O-N 3.45Å; P129-R132 VanDerWaalsContact O-N 3.09Å; P129-L133 VanDerWaalsContact O-CD1 3.31Å; P129-L133 WeakPolarHBondContact O-CD1 3.47Å | ||
| 130 | M | 96.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.02 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.6 | -39.7 | -175.2 | -175.9 | -176.2 | 66 | 0 | 0 | 112.6 | R132 L133 Y134 S195 C197 L227 P229 T237 | M130-R132 PolarHBondContact O-N 3.29Å; M130-L133 WeakPolarHBondContact O-CB 3.31Å; M130-L133 PolarHBondContact O-N 2.62Å; M130-L133 VanDerWaalsContact O-N 3.12Å; M130-Y134 PolarHBondContact O-N 3Å; M130-S195 VanDerWaalsContact CE-O 3.3Å; M130-S195 WeakPolarHBondContact CE-O 3.47Å; M130-C197 HydrophobicContact SD-CB 4.37Å; M130-L227 HydrophobicContact CG-CB 3.71Å; M130-L227 HydrophobicContact CG-CD1 4.4Å; M130-L227 HydrophobicContact SD-CB 4Å; M130-L227 VanDerWaalsContact SD-O 3.35Å; M130-P229 HydrophobicContact CB-CG 4.43Å; M130-P229 HydrophobicContact CE-CG 4.5Å; M130-P229 HydrophobicContact SD-CG 4.11Å; M130-T237 WeakPolarHBondContact CA-OG1 3.33Å; M130-T237 HydrophobicContact CB-CG2 4.13Å; M130-T237 HydrophobicContact CG-CG2 4.13Å; M130-T237 PolarHBondContact N-OG1 3.35Å |
| 131 | E | 95 | Very high | 96.9 | Very high | 102 Ų | 102 | 37.2 Ų | 37.2 | 48% | 0.477 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.7 | -34.5 | -179.8 | -75.6 | 61.1 | -140.6 | 0 | 0 | 112.1 | P129 Y134 E135 R192 | P129-E131 VanDerWaalsContact C-N 3.28Å; P129-E131 PolarHBondContact O-N 2.9Å; E131-Y134 PolarHBondContact O-N 2.89Å; E131-E135 PolarHBondContact O-N 3.31Å; E131-R192 IonicContact OE1-CZ 3.6Å; E131-R192 IonicContact OE1-NH1 3.27Å; E131-R192 PolarHBondContact OE1-NH1 3.45Å; E131-R192 IonicContact OE1-NH2 3.61Å |
| 132 | R | 95.2 | Very high | 96.8 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.3 | -41 | 176.2 | -65.2 | -72.1 | -68.9 | 152.4 | -2.5 | 111.6 | P129 M130 Y134 E135 E136 L275 R278 | P129-R132 HydrophobicContact CB-CG 4.44Å; P129-R132 HydrophobicContact CG-CG 4.5Å; P129-R132 WeakPolarHBondContact O-CB 3.26Å; P129-R132 PolarHBondContact O-N 3.45Å; P129-R132 VanDerWaalsContact O-N 3.09Å; M130-R132 PolarHBondContact O-N 3.29Å; R132-Y134 VanDerWaalsContact C-N 3.35Å; R132-E135 IonicContact NH1-OE2 3.92Å; R132-E135 PolarHBondContact NH1-OE2 2.85Å; R132-E136 PolarHBondContact O-N 3.39Å; R132-L275 HydrophobicContact CB-CD2 4.16Å; R132-R278 PolarHBondContact NH2-O 3.11Å |
| 133 | L | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 174.7 | -77.5 | 76.7 | 0 | 0 | 0 | 110.6 | V126 Q128 P129 M130 E136 L137 L227 T237 L239 L271 L275 | V126-L133 HydrophobicContact CB-CD2 4.26Å; V126-L133 HydrophobicContact CG1-CD1 4.38Å; V126-L133 HydrophobicContact CG2-CD2 4.19Å; Q128-L133 HydrophobicContact CB-CD1 3.79Å; P129-L133 VanDerWaalsContact O-CD1 3.31Å; P129-L133 WeakPolarHBondContact O-CD1 3.47Å; M130-L133 WeakPolarHBondContact O-CB 3.31Å; M130-L133 PolarHBondContact O-N 2.62Å; M130-L133 VanDerWaalsContact O-N 3.12Å; L133-E136 PolarHBondContact O-N 3.45Å; L133-L137 HydrophobicContact CB-CD1 4.35Å; L133-L137 WeakPolarHBondContact O-CB 3.24Å; L133-L137 WeakPolarHBondContact O-CG 3.19Å; L133-L137 PolarHBondContact O-N 3.17Å; L133-L227 HydrophobicContact CB-CD1 4Å; L133-L227 HydrophobicContact CB-CD2 4.13Å; L133-L227 HydrophobicContact CD2-CD2 3.96Å; L133-T237 HydrophobicContact CD2-CG2 3.96Å; L133-L239 HydrophobicContact CD2-CB 4.49Å; L133-L271 HydrophobicContact CD2-CD2 4.42Å; L133-L275 HydrophobicContact CD1-CD1 3.82Å; L133-L275 HydrophobicContact CG-CD1 3.93Å |
| 134 | Y | 97 | Very high | 96.7 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 17% | 0.165 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 178.2 | -173.4 | -93.7 | 0 | 0 | 0 | 112 | M130 E131 R132 V138 E139 C197 L227 | M130-Y134 PolarHBondContact O-N 3Å; E131-Y134 PolarHBondContact O-N 2.89Å; R132-Y134 VanDerWaalsContact C-N 3.35Å; Y134-V138 HydrophobicContact CD2-CB 4.33Å; Y134-V138 HydrophobicContact CD2-CG2 3.86Å; Y134-V138 HydrophobicContact CE1-CB 4.35Å; Y134-V138 HydrophobicContact CE1-CG1 4.49Å; Y134-V138 HydrophobicContact CE2-CB 4.1Å; Y134-V138 HydrophobicContact CE2-CG1 4.25Å; Y134-V138 HydrophobicContact CE2-CG2 3.78Å; Y134-V138 HydrophobicContact CG-CG2 4.45Å; Y134-V138 WeakPolarHBondContact O-CA 3.23Å; Y134-V138 VanDerWaalsContact O-CB 3.31Å; Y134-V138 WeakPolarHBondContact O-CB 3.23Å; Y134-V138 PolarHBondContact O-N 3.06Å; Y134-E139 HydrophobicContact CD1-CG 4.11Å; Y134-E139 HydrophobicContact CE1-CG 3.93Å; Y134-E139 WeakPolarHBondContact CE1-OE1 3.36Å; Y134-E139 PolarHBondContact O-N 2.98Å; Y134-C197 HydrophobicContact CD2-CB 3.7Å; Y134-C197 HydrophobicContact CE2-CB 4.1Å; Y134-L227 HydrophobicContact CD2-CD1 4.44Å |
| 135 | E | 96.4 | Very high | 96.5 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 16% | 0.164 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -56.7 | -54.3 | 175 | -173.4 | -165.6 | 161.2 | 0 | 0 | 111 | E131 R132 L137 E139 R140 | E131-E135 PolarHBondContact O-N 3.31Å; R132-E135 IonicContact NH1-OE2 3.92Å; R132-E135 PolarHBondContact NH1-OE2 2.85Å; E135-L137 PolarHBondContact O-N 2.91Å; E135-E139 PolarHBondContact O-N 3.17Å; E135-E139 VanDerWaalsContact O-N 3.16Å; E135-R140 HydrophobicContact CG-CG 4.17Å; E135-R140 WeakPolarHBondContact O-CB 3.34Å; E135-R140 PolarHBondContact O-N 2.95Å; E135-R140 WeakPolarHBondContact OE1-CD 3.31Å; E135-R140 IonicContact OE1-NH1 3.85Å |
| 136 | E | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -70.6 | -32.6 | -176.3 | -68.5 | -72.2 | 165.8 | 0 | 0 | 113.2 | R132 L133 R274 L275 R278 | R132-E136 PolarHBondContact O-N 3.39Å; L133-E136 PolarHBondContact O-N 3.45Å; E136-R274 HydrophobicContact CG-CG 4.48Å; E136-R274 IonicContact OE1-CZ 3.89Å; E136-R274 IonicContact OE1-NE 3.67Å; E136-R274 PolarHBondContact OE1-NE 3.46Å; E136-R274 IonicContact OE1-NH2 3.73Å; E136-R274 IonicContact OE2-CZ 3.92Å; E136-R274 IonicContact OE2-NE 2.77Å; E136-R274 PolarHBondContact OE2-NE 2.86Å; E136-R274 IonicContact OE2-NH2 3.49Å; E136-R274 PolarHBondContact OE2-NH2 2.75Å; E136-R274 VanDerWaalsContact OE2-NH2 3.14Å; E136-L275 HydrophobicContact CG-CD2 3.98Å; E136-R278 IonicContact OE1-CZ 2.77Å; E136-R278 IonicContact OE1-NH1 2.79Å; E136-R278 PolarHBondContact OE1-NH1 3.15Å |
| 137 | L | 96.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -91.8 | -22.4 | -175.5 | -62.7 | 178.3 | 0 | 0 | 0 | 114.3 | L133 E135 M144 W147 M225 L227 F267 L271 | L133-L137 HydrophobicContact CB-CD1 4.35Å; L133-L137 WeakPolarHBondContact O-CB 3.24Å; L133-L137 WeakPolarHBondContact O-CG 3.19Å; L133-L137 PolarHBondContact O-N 3.17Å; E135-L137 PolarHBondContact O-N 2.91Å; L137-M144 HydrophobicContact CD2-CE 3.87Å; L137-W147 HydrophobicContact CD2-CH2 4.21Å; L137-W147 HydrophobicContact CD2-CZ2 4.38Å; L137-M225 HydrophobicContact CD1-SD 4.34Å; L137-L227 HydrophobicContact CD1-CD2 4.09Å; L137-F267 HydrophobicContact CD2-CE2 4.01Å; L137-F267 HydrophobicContact CD2-CZ 3.6Å; L137-L271 HydrophobicContact CD1-CD2 4.28Å; L137-L271 HydrophobicContact CD2-CD1 3.99Å; L137-L271 HydrophobicContact CD2-CD2 4.4Å; L137-L271 HydrophobicContact CG-CD1 4.41Å |
| 138 | V | 95.9 | Very high | 96.3 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -121.3 | -59.8 | -176 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | Y134 R140 M141 A190 L199 | Y134-V138 HydrophobicContact CD2-CB 4.33Å; Y134-V138 HydrophobicContact CD2-CG2 3.86Å; Y134-V138 HydrophobicContact CE1-CB 4.35Å; Y134-V138 HydrophobicContact CE1-CG1 4.49Å; Y134-V138 HydrophobicContact CE2-CB 4.1Å; Y134-V138 HydrophobicContact CE2-CG1 4.25Å; Y134-V138 HydrophobicContact CE2-CG2 3.78Å; Y134-V138 HydrophobicContact CG-CG2 4.45Å; Y134-V138 WeakPolarHBondContact O-CA 3.23Å; Y134-V138 VanDerWaalsContact O-CB 3.31Å; Y134-V138 WeakPolarHBondContact O-CB 3.23Å; Y134-V138 PolarHBondContact O-N 3.06Å; V138-R140 VanDerWaalsContact C-N 3.31Å; V138-R140 PolarHBondContact O-N 2.81Å; V138-M141 HydrophobicContact CB-CE 4.48Å; V138-M141 HydrophobicContact CG1-CE 4.25Å; V138-M141 WeakPolarHBondContact O-CE 3.46Å; V138-M141 WeakPolarHBondContact O-CG 3.45Å; V138-A190 HydrophobicContact CG1-CB 3.76Å; V138-L199 HydrophobicContact CG2-CB 4.35Å; V138-L199 HydrophobicContact CG2-CD2 4.36Å |
| 139 | E | 96 | Very high | 96.2 | Very high | 135 Ų | 135 | 43.9 Ų | 43.9 | 63% | 0.631 | 22% | 0.222 | S | C | * | . | I | π-helix | trans | -69.3 | -32.8 | -172.5 | -59.3 | 178.3 | 171.5 | 0 | 0 | 112.1 | Y134 E135 | Y134-E139 HydrophobicContact CD1-CG 4.11Å; Y134-E139 HydrophobicContact CE1-CG 3.93Å; Y134-E139 WeakPolarHBondContact CE1-OE1 3.36Å; Y134-E139 PolarHBondContact O-N 2.98Å; E135-E139 PolarHBondContact O-N 3.17Å; E135-E139 VanDerWaalsContact O-N 3.16Å |
| 140 | R | 96.5 | Very high | 96.1 | Very high | 78 Ų | 78 | 43.4 Ų | 43.4 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 24 | -177.4 | -57.9 | -180 | 60.9 | 132.7 | 8.2 | 113.5 | E135 V138 E142 A143 R278 | E135-R140 HydrophobicContact CG-CG 4.17Å; E135-R140 WeakPolarHBondContact O-CB 3.34Å; E135-R140 PolarHBondContact O-N 2.95Å; E135-R140 WeakPolarHBondContact OE1-CD 3.31Å; E135-R140 IonicContact OE1-NH1 3.85Å; V138-R140 VanDerWaalsContact C-N 3.31Å; V138-R140 PolarHBondContact O-N 2.81Å; R140-E142 PolarHBondContact O-N 3.44Å; R140-E142 VanDerWaalsContact O-N 3.15Å; R140-A143 WeakPolarHBondContact O-CB 3.38Å; R140-A143 PolarHBondContact O-N 2.89Å; R140-R278 VanDerWaalsContact NH2-NH2 3.2Å |
| 141 | M | 97 | Very high | 96 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 7% | 0.069 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -58.5 | -30.2 | -175.8 | 64.8 | 172.1 | 58.2 | 0 | 0 | 114 | V138 A143 M144 I154 V156 F165 T167 L199 | V138-M141 HydrophobicContact CB-CE 4.48Å; V138-M141 HydrophobicContact CG1-CE 4.25Å; V138-M141 WeakPolarHBondContact O-CE 3.46Å; V138-M141 WeakPolarHBondContact O-CG 3.45Å; M141-A143 PolarHBondContact O-N 3.45Å; M141-M144 WeakPolarHBondContact O-CB 3.05Å; M141-M144 PolarHBondContact O-N 3.25Å; M141-I154 HydrophobicContact CG-CG2 4.48Å; M141-V156 HydrophobicContact SD-CG2 4.31Å; M141-F165 HydrophobicContact CE-CE2 3.39Å; M141-F165 HydrophobicContact CE-CZ 3.44Å; M141-F165 VanDerWaalsContact CE-CZ 3.44Å; M141-F165 HydrophobicContact SD-CD2 4.34Å; M141-F165 HydrophobicContact SD-CE2 3.53Å; M141-F165 VanDerWaalsContact SD-CE2 3.53Å; M141-F165 HydrophobicContact SD-CZ 4.21Å; M141-T167 HydrophobicContact SD-CG2 3.93Å; M141-L199 HydrophobicContact CE-CD1 4.5Å; M141-L199 HydrophobicContact CE-CD2 4.46Å |
| 142 | E | 98.1 | Very high | 96.1 | Very high | 107 Ų | 107 | 45.9 Ų | 45.9 | 50% | 0.5 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -62.8 | -26.3 | 176.4 | -63.9 | -169 | 113.9 | 0 | 0 | 112.5 | R140 M144 I154 K155 V156 | R140-E142 PolarHBondContact O-N 3.44Å; R140-E142 VanDerWaalsContact O-N 3.15Å; E142-M144 VanDerWaalsContact C-N 3.33Å; E142-I154 WeakPolarHBondContact CA-O 3.49Å; E142-I154 WeakPolarHBondContact CB-O 3.4Å; E142-I154 WeakPolarHBondContact CG-O 3.45Å; E142-K155 WeakPolarHBondContact OE1-CA 3.13Å; E142-V156 HydrophobicContact CG-CG2 3.87Å; E142-V156 PolarHBondContact OE1-N 3.19Å |
| 143 | A | 96.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -87.6 | 4.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | R140 M141 G145 E146 | R140-A143 WeakPolarHBondContact O-CB 3.38Å; R140-A143 PolarHBondContact O-N 2.89Å; M141-A143 PolarHBondContact O-N 3.45Å; A143-G145 PolarHBondContact O-N 3Å; A143-E146 HydrophobicContact CB-CG 4.44Å; A143-E146 VanDerWaalsContact O-CB 3.31Å; A143-E146 WeakPolarHBondContact O-CB 3.35Å; A143-E146 WeakPolarHBondContact O-CG 3.32Å; A143-E146 PolarHBondContact O-N 3.5Å; A143-E146 VanDerWaalsContact O-N 3.09Å |
| 144 | M | 96.7 | Very high | 96.2 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -59.7 | -34.2 | -178.5 | -178.1 | 172.8 | -63.1 | 0 | 0 | 112.7 | L137 M141 E142 E146 W147 N148 V151 I154 F267 | L137-M144 HydrophobicContact CD2-CE 3.87Å; M141-M144 WeakPolarHBondContact O-CB 3.05Å; M141-M144 PolarHBondContact O-N 3.25Å; E142-M144 VanDerWaalsContact C-N 3.33Å; M144-E146 PolarHBondContact O-N 3.32Å; M144-W147 HydrophobicContact CB-CZ2 4.25Å; M144-W147 HydrophobicContact CE-CH2 4.19Å; M144-W147 HydrophobicContact CE-CZ2 3.97Å; M144-W147 HydrophobicContact CG-CH2 3.97Å; M144-W147 HydrophobicContact CG-CZ2 3.61Å; M144-W147 PolarHBondContact O-N 2.91Å; M144-W147 VanDerWaalsContact O-N 3.17Å; M144-W147 HydrophobicContact SD-CH2 4.34Å; M144-W147 HydrophobicContact SD-CZ2 4.34Å; M144-N148 HydrophobicContact CG-CB 3.87Å; M144-N148 WeakPolarHBondContact O-CB 3.4Å; M144-N148 PolarHBondContact O-N 3.3Å; M144-V151 HydrophobicContact SD-CG2 4.39Å; M144-I154 HydrophobicContact CB-CD1 3.96Å; M144-I154 HydrophobicContact CG-CD1 4.44Å; M144-I154 HydrophobicContact SD-CD1 4.06Å; M144-F267 HydrophobicContact CE-CE2 4.41Å; M144-F267 HydrophobicContact SD-CE2 4.39Å |
| 145 | G | 95.1 | Very high | 96.3 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -63.7 | -17.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A143 W147 V151 | A143-G145 PolarHBondContact O-N 3Å; G145-W147 VanDerWaalsContact C-N 3.29Å; G145-W147 PolarHBondContact O-N 3.12Å; G145-V151 VanDerWaalsContact CA-O 3.32Å; G145-V151 WeakPolarHBondContact CA-O 3.16Å |
| 146 | E | 95.5 | Very high | 96.4 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 63% | 0.631 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -68.5 | -29.3 | 175.3 | -62.1 | 175.2 | -179.3 | 0 | 0 | 112.6 | A143 M144 R274 | A143-E146 HydrophobicContact CB-CG 4.44Å; A143-E146 VanDerWaalsContact O-CB 3.31Å; A143-E146 WeakPolarHBondContact O-CB 3.35Å; A143-E146 WeakPolarHBondContact O-CG 3.32Å; A143-E146 PolarHBondContact O-N 3.5Å; A143-E146 VanDerWaalsContact O-N 3.09Å; M144-E146 PolarHBondContact O-N 3.32Å; E146-R274 IonicContact OE2-NH1 3.5Å; E146-R274 IonicContact OE2-NH2 2.76Å |
| 147 | W | 95.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 10% | 0.095 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -12.5 | -172.3 | 60.9 | -98 | 0 | 0 | 0 | 114.1 | L137 M144 G145 P149 F267 H270 L271 R274 | L137-W147 HydrophobicContact CD2-CH2 4.21Å; L137-W147 HydrophobicContact CD2-CZ2 4.38Å; M144-W147 HydrophobicContact CB-CZ2 4.25Å; M144-W147 HydrophobicContact CE-CH2 4.19Å; M144-W147 HydrophobicContact CE-CZ2 3.97Å; M144-W147 HydrophobicContact CG-CH2 3.97Å; M144-W147 HydrophobicContact CG-CZ2 3.61Å; M144-W147 PolarHBondContact O-N 2.91Å; M144-W147 VanDerWaalsContact O-N 3.17Å; M144-W147 HydrophobicContact SD-CH2 4.34Å; M144-W147 HydrophobicContact SD-CZ2 4.34Å; G145-W147 VanDerWaalsContact C-N 3.29Å; G145-W147 PolarHBondContact O-N 3.12Å; W147-P149 WeakPolarHBondContact O-CD 2.98Å; W147-F267 HydrophobicContact CH2-CE2 4.01Å; W147-H270 HydrophobicContact CE3-CB 3.89Å; W147-H270 HydrophobicContact CZ3-CB 4.02Å; W147-H270 PolarHBondContact O-CD2 3.33Å; W147-L271 HydrophobicContact CH2-CB 4.31Å; W147-L271 HydrophobicContact CH2-CD1 3.97Å; W147-L271 HydrophobicContact CZ2-CD1 4.45Å; W147-L271 HydrophobicContact CZ3-CB 4.07Å; W147-L271 HydrophobicContact CZ3-CD1 4.43Å; W147-R274 HydrophobicContact CB-CB 4.14Å; W147-R274 HydrophobicContact CB-CG 4.23Å; W147-R274 HydrophobicContact CD2-CB 3.87Å; W147-R274 HydrophobicContact CD2-CG 3.86Å; W147-R274 HydrophobicContact CE3-CB 4.05Å; W147-R274 HydrophobicContact CG-CB 3.92Å; W147-R274 HydrophobicContact CG-CG 3.71Å |
| 148 | N | 96.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | trans | -112.8 | 100.3 | 176.8 | -175.6 | 0.6 | 0 | 0 | 0 | 110.8 | M144 N150 V151 | M144-N148 HydrophobicContact CG-CB 3.87Å; M144-N148 WeakPolarHBondContact O-CB 3.4Å; M144-N148 PolarHBondContact O-N 3.3Å; N148-N150 PolarHBondContact O-N 3.09Å; N148-N150 WeakPolarHBondContact OD1-CB 3.32Å; N148-N150 PolarHBondContact OD1-N 3.5Å; N148-V151 PolarHBondContact O-N 3Å; N148-V151 VanDerWaalsContact O-O 3.06Å | ||
| 149 | P | 94.7 | Very high | 96.6 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -18 | 179.9 | -25 | 35.2 | 0 | 0 | 0 | 115.1 | W147 V151 A172 H270 | W147-P149 WeakPolarHBondContact O-CD 2.98Å; P149-V151 PolarHBondContact O-N 3.05Å; P149-A172 WeakPolarHBondContact O-CB 3.31Å; P149-H270 WeakPolarHBondContact CD-CD2 3.28Å; P149-H270 WeakPolarHBondContact CD-NE2 3.21Å; P149-H270 WeakPolarHBondContact CG-NE2 3.42Å |
| 150 | N | 93.5 | Very high | 96.7 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -10.1 | 176.7 | -67.1 | -31.4 | 0 | 0 | 0 | 112.5 | N148 A172 D266 | N148-N150 PolarHBondContact O-N 3.09Å; N148-N150 WeakPolarHBondContact OD1-CB 3.32Å; N148-N150 PolarHBondContact OD1-N 3.5Å; N150-A172 PolarHBondContact O-N 2.73Å; N150-D266 WeakPolarHBondContact ND2-CB 3.5Å |
| 151 | V | 95.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.7 | -178.1 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | M144 G145 N148 P149 I154 | M144-V151 HydrophobicContact SD-CG2 4.39Å; G145-V151 VanDerWaalsContact CA-O 3.32Å; G145-V151 WeakPolarHBondContact CA-O 3.16Å; N148-V151 PolarHBondContact O-N 3Å; N148-V151 VanDerWaalsContact O-O 3.06Å; P149-V151 PolarHBondContact O-N 3.05Å; V151-I154 HydrophobicContact CG1-CD1 3.85Å; V151-I154 HydrophobicContact CG1-CG1 3.51Å |
| 152 | K | 95.9 | Very high | 96.4 | Very high | 151 Ų | 151 | 61.1 Ų | 61.1 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -45.8 | 176.7 | -178.1 | 176.5 | 175.7 | -176.7 | 0 | 111.6 | M170 | K152-M170 HydrophobicContact CB-CB 4.41Å; K152-M170 HydrophobicContact CB-CG 4.31Å; K152-M170 WeakPolarHBondContact CB-O 3.17Å; K152-M170 HydrophobicContact CD-CG 4.26Å; K152-M170 HydrophobicContact CD-SD 3.9Å; K152-M170 PolarHBondContact N-O 3.04Å |
| 153 | E | 96.7 | Very high | 96.3 | Very high | 74 Ų | 74 | 59 Ų | 59 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 142.5 | -177.5 | -171.4 | 177.9 | -127.5 | 0 | 0 | 110 | K155 M170 | E153-K155 HydrophobicContact CG-CG 4.2Å; E153-K155 WeakPolarHBondContact OE1-CE 3.42Å; E153-K155 IonicContact OE1-NZ 2.87Å; E153-K155 PolarHBondContact OE1-NZ 2.93Å; E153-K155 WeakPolarHBondContact OE2-CE 3.39Å; E153-K155 IonicContact OE2-NZ 3.05Å; E153-K155 PolarHBondContact OE2-NZ 3.27Å; E153-M170 HydrophobicContact CB-CB 4.45Å; E153-M170 PolarHBondContact N-O 2.91Å; E153-M170 PolarHBondContact O-N 2.99Å |
| 154 | I | 98.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.4 | 166 | -56.5 | -175.1 | 0 | 0 | 0 | 107.6 | M141 E142 M144 V151 H168 E169 | M141-I154 HydrophobicContact CG-CG2 4.48Å; E142-I154 WeakPolarHBondContact CA-O 3.49Å; E142-I154 WeakPolarHBondContact CB-O 3.4Å; E142-I154 WeakPolarHBondContact CG-O 3.45Å; M144-I154 HydrophobicContact CB-CD1 3.96Å; M144-I154 HydrophobicContact CG-CD1 4.44Å; M144-I154 HydrophobicContact SD-CD1 4.06Å; V151-I154 HydrophobicContact CG1-CD1 3.85Å; V151-I154 HydrophobicContact CG1-CG1 3.51Å; I154-H168 CarbonylContact C-O 3.59Å; I154-H168 WeakPolarHBondContact CA-O 3.3Å; I154-E169 HydrophobicContact CD1-CG 4.4Å; I154-E169 HydrophobicContact CG1-CB 4.35Å; I154-E169 HydrophobicContact CG1-CG 4.08Å |
| 155 | K | 98.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 39% | 0.387 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.9 | 175.1 | -77.7 | 176.9 | 170.8 | 140.8 | 0 | 110.8 | E142 E153 L157 T167 H168 | E142-K155 WeakPolarHBondContact OE1-CA 3.13Å; E153-K155 HydrophobicContact CG-CG 4.2Å; E153-K155 WeakPolarHBondContact OE1-CE 3.42Å; E153-K155 IonicContact OE1-NZ 2.87Å; E153-K155 PolarHBondContact OE1-NZ 2.93Å; E153-K155 WeakPolarHBondContact OE2-CE 3.39Å; E153-K155 IonicContact OE2-NZ 3.05Å; E153-K155 PolarHBondContact OE2-NZ 3.27Å; K155-L157 HydrophobicContact CB-CD2 4.37Å; K155-L157 PolarHBondContact O-N 2.83Å; K155-T167 CarbonylContact O-C 3.47Å; K155-T167 VanDerWaalsContact O-CA 3.26Å; K155-T167 WeakPolarHBondContact O-CA 3.4Å; K155-H168 PolarHBondContact N-O 2.82Å; K155-H168 PolarHBondContact O-N 2.77Å |
| 156 | V | 98.6 | Very high | 96.7 | Very high | 35 Ų | 35 | 57.1 Ų | 57.1 | 21% | 0.212 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 109.6 | 168.8 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | M141 E142 K159 F165 I166 T167 | M141-V156 HydrophobicContact SD-CG2 4.31Å; E142-V156 HydrophobicContact CG-CG2 3.87Å; E142-V156 PolarHBondContact OE1-N 3.19Å; V156-K159 HydrophobicContact CG1-CG 3.85Å; V156-F165 HydrophobicContact CG1-CB 4.21Å; V156-I166 CarbonylContact C-O 3.5Å; V156-T167 HydrophobicContact CG2-CG2 4.39Å |
| 157 | L | 98.6 | Very high | 96.8 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -38.8 | -176.9 | -55.8 | -177.3 | 0 | 0 | 0 | 112.3 | K155 I166 H168 F206 M209 | K155-L157 HydrophobicContact CB-CD2 4.37Å; K155-L157 PolarHBondContact O-N 2.83Å; L157-I166 HydrophobicContact CB-CB 4.43Å; L157-I166 HydrophobicContact CB-CG2 4.36Å; L157-I166 HydrophobicContact CD1-CG2 4.08Å; L157-I166 PolarHBondContact N-O 3.25Å; L157-H168 HydrophobicContact CD1-CB 4.02Å; L157-H168 HydrophobicContact CD2-CB 3.85Å; L157-H168 HydrophobicContact CG-CB 4.05Å; L157-F206 HydrophobicContact CB-CD1 4.31Å; L157-F206 HydrophobicContact CB-CE1 3.72Å; L157-F206 HydrophobicContact CB-CZ 4.1Å; L157-F206 HydrophobicContact CD1-CD1 3.42Å; L157-F206 VanDerWaalsContact CD1-CD1 3.42Å; L157-F206 HydrophobicContact CD1-CE1 3.64Å; L157-F206 HydrophobicContact CD1-CG 4.26Å; L157-F206 HydrophobicContact CG-CE1 4.29Å; L157-M209 HydrophobicContact CD1-CB 3.73Å; L157-M209 HydrophobicContact CD1-CG 4.09Å; L157-M209 HydrophobicContact CD2-CE 3.77Å |
| 158 | Q | 98.3 | Very high | 97 | Very high | 57 Ų | 57 | 50 Ų | 50 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 138.6 | -179 | -174.9 | 176.7 | -9.9 | 0 | 0 | 110.2 | I160 F165 I166 F206 | Q158-I160 HydrophobicContact CG-CG1 3.97Å; Q158-F165 CarbonylContact O-C 3.57Å; Q158-F165 WeakPolarHBondContact O-CA 3.44Å; Q158-F165 WeakPolarHBondContact O-CB 3.44Å; Q158-I166 HydrophobicContact CB-CD1 4.36Å; Q158-I166 PolarHBondContact O-N 2.8Å; Q158-F206 HydrophobicContact CB-CE2 4.39Å; Q158-F206 HydrophobicContact CB-CZ 4.35Å |
| 159 | K | 97.9 | Very high | 97.1 | Very high | 161 Ų | 161 | 51.3 Ų | 51.3 | 70% | 0.7 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.6 | 167.3 | -65.7 | -176.1 | 177.6 | -179.8 | 0 | 109.3 | V156 F165 | V156-K159 HydrophobicContact CG1-CG 3.85Å; K159-F165 HydrophobicContact CG-CB 4.12Å |
| 160 | I | 97.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 105.9 | -175.5 | -52.2 | 172.8 | 0 | 0 | 0 | 108 | Y68 E72 Y75 L76 Q158 T164 I166 | Y68-I160 HydrophobicContact CD1-CG2 3.91Å; Y68-I160 HydrophobicContact CE1-CG2 3.8Å; E72-I160 HydrophobicContact CB-CG2 3.79Å; E72-I160 HydrophobicContact CG-CD1 4.24Å; E72-I160 HydrophobicContact CG-CG1 4.36Å; E72-I160 HydrophobicContact CG-CG2 3.98Å; Y75-I160 HydrophobicContact CD2-CD1 3.48Å; Y75-I160 VanDerWaalsContact CD2-CD1 3.48Å; Y75-I160 HydrophobicContact CE2-CD1 4.46Å; Y75-I160 HydrophobicContact CG-CD1 3.89Å; L76-I160 HydrophobicContact CD1-CG2 4.15Å; L76-I160 HydrophobicContact CD2-CG2 4.11Å; L76-I160 HydrophobicContact CG-CG2 3.92Å; Q158-I160 HydrophobicContact CG-CG1 3.97Å; I160-T164 CarbonylContact C-O 3.49Å; I160-T164 HydrophobicContact CB-CG2 4.49Å; I160-T164 PolarHBondContact N-O 3.05Å; I160-T164 WeakPolarHBondContact O-CB 3.49Å; I160-T164 PolarHBondContact O-N 2.84Å; I160-I166 HydrophobicContact CD1-CD1 4.18Å; I160-I166 HydrophobicContact CD1-CG1 4.39Å |
| 161 | G | 94.5 | Very high | 97.2 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 40% | 0.402 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | -144.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y68 | Y68-G161 WeakPolarHBondContact OH-CA 3.4Š|
| 162 | K | 92.8 | Very high | 96.9 | Very high | 156 Ų | 156 | 49.8 Ų | 49.8 | 68% | 0.678 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -42 | -174.1 | -68.9 | 174.4 | 177.2 | 163.3 | 0 | 112.9 | E64 | E64-K162 IonicContact OE1-NZ 3.81Å; E64-K162 PolarHBondContact OE1-NZ 2.73Å; E64-K162 IonicContact OE2-NZ 3.29Å; E64-K162 PolarHBondContact OE2-NZ 2.88Å |
| 163 | D | 96.1 | Very high | 96.2 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -19.1 | -164.1 | -59.2 | -25.3 | 0 | 0 | 0 | 113.3 | C189 A190 K191 | D163-C189 CarbonylContact O-C 3.58Å; D163-C189 WeakPolarHBondContact O-CA 3.21Å; D163-A190 VanDerWaalsContact CB-O 3.3Å; D163-A190 WeakPolarHBondContact CB-O 3.36Å; D163-A190 PolarHBondContact O-N 2.95Å; D163-K191 HydrophobicContact CB-CG 4.07Å; D163-K191 WeakPolarHBondContact OD2-CE 3.28Å; D163-K191 WeakPolarHBondContact OD2-CG 3.27Å |
| 164 | T | 98.2 | Very high | 95.1 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137 | -169.1 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | L76 I160 V187 R188 | L76-T164 HydrophobicContact CD2-CG2 4.31Å; I160-T164 CarbonylContact C-O 3.49Å; I160-T164 HydrophobicContact CB-CG2 4.49Å; I160-T164 PolarHBondContact N-O 3.05Å; I160-T164 WeakPolarHBondContact O-CB 3.49Å; I160-T164 PolarHBondContact O-N 2.84Å; T164-V187 HydrophobicContact CG2-CG2 3.69Å; T164-R188 VanDerWaalsContact CA-O 3.29Å; T164-R188 WeakPolarHBondContact CA-O 3.24Å |
| 165 | F | 98.4 | Very high | 93.8 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 156.3 | 179.1 | 50.2 | -87.1 | 0 | 0 | 0 | 110.7 | M141 V156 Q158 K159 T167 R188 A190 L199 | M141-F165 HydrophobicContact CE-CE2 3.39Å; M141-F165 HydrophobicContact CE-CZ 3.44Å; M141-F165 VanDerWaalsContact CE-CZ 3.44Å; M141-F165 HydrophobicContact SD-CD2 4.34Å; M141-F165 HydrophobicContact SD-CE2 3.53Å; M141-F165 VanDerWaalsContact SD-CE2 3.53Å; M141-F165 HydrophobicContact SD-CZ 4.21Å; V156-F165 HydrophobicContact CG1-CB 4.21Å; Q158-F165 CarbonylContact O-C 3.57Å; Q158-F165 WeakPolarHBondContact O-CA 3.44Å; Q158-F165 WeakPolarHBondContact O-CB 3.44Å; K159-F165 HydrophobicContact CG-CB 4.12Å; F165-T167 HydrophobicContact CD2-CG2 3.66Å; F165-T167 HydrophobicContact CE2-CG2 3.82Å; F165-R188 HydrophobicContact CD2-CB 3.9Å; F165-R188 HydrophobicContact CD2-CG 4.35Å; F165-R188 HydrophobicContact CE1-CB 4.4Å; F165-R188 HydrophobicContact CE2-CB 3.43Å; F165-R188 VanDerWaalsContact CE2-CB 3.43Å; F165-R188 HydrophobicContact CE2-CG 3.88Å; F165-R188 HydrophobicContact CZ-CB 3.72Å; F165-R188 PolarHBondContact N-O 2.95Å; F165-R188 PolarHBondContact O-N 3.39Å; F165-A190 HydrophobicContact CE1-CB 4.03Å; F165-A190 HydrophobicContact CZ-CB 4.48Å; F165-L199 HydrophobicContact CZ-CD1 3.84Å |
| 166 | I | 98.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.9 | 179.6 | -54.4 | 175.4 | 0 | 0 | 0 | 108 | Y75 V156 L157 Q158 I160 V185 S186 T204 F206 | Y75-I166 HydrophobicContact CD1-CD1 4Å; Y75-I166 HydrophobicContact CD2-CD1 3.67Å; Y75-I166 HydrophobicContact CE1-CD1 3.86Å; Y75-I166 HydrophobicContact CE2-CD1 3.47Å; Y75-I166 VanDerWaalsContact CE2-CD1 3.47Å; Y75-I166 HydrophobicContact CG-CD1 3.92Å; V156-I166 CarbonylContact C-O 3.5Å; L157-I166 HydrophobicContact CB-CB 4.43Å; L157-I166 HydrophobicContact CB-CG2 4.36Å; L157-I166 HydrophobicContact CD1-CG2 4.08Å; L157-I166 PolarHBondContact N-O 3.25Å; Q158-I166 HydrophobicContact CB-CD1 4.36Å; Q158-I166 PolarHBondContact O-N 2.8Å; I160-I166 HydrophobicContact CD1-CD1 4.18Å; I160-I166 HydrophobicContact CD1-CG1 4.39Å; I166-V185 HydrophobicContact CG2-CG1 4.29Å; I166-S186 WeakPolarHBondContact CA-O 3.49Å; I166-T204 HydrophobicContact CG2-CG2 4.06Å; I166-F206 HydrophobicContact CD1-CD2 3.44Å; I166-F206 VanDerWaalsContact CD1-CD2 3.44Å; I166-F206 HydrophobicContact CD1-CE2 3.65Å; I166-F206 HydrophobicContact CD1-CG 4.36Å; I166-F206 HydrophobicContact CG2-CB 4.28Å; I166-F206 HydrophobicContact CG2-CD2 4.22Å; I166-F206 HydrophobicContact CG2-CG 4.15Å |
| 167 | T | 98.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.1 | -179.6 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | M141 K155 V156 F165 V185 S186 R188 | M141-T167 HydrophobicContact SD-CG2 3.93Å; K155-T167 CarbonylContact O-C 3.47Å; K155-T167 VanDerWaalsContact O-CA 3.26Å; K155-T167 WeakPolarHBondContact O-CA 3.4Å; V156-T167 HydrophobicContact CG2-CG2 4.39Å; F165-T167 HydrophobicContact CD2-CG2 3.66Å; F165-T167 HydrophobicContact CE2-CG2 3.82Å; T167-V185 WeakPolarHBondContact O-CA 3.45Å; T167-S186 PolarHBondContact N-O 3.18Å; T167-S186 PolarHBondContact O-N 2.96Å; T167-S186 PolarHBondContact OG1-O 3.46Å; T167-R188 HydrophobicContact CG2-CG 4Å |
| 168 | H | 98.7 | Very high | 90.4 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.046 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.9 | 158.2 | -179 | -131.1 | 0 | 0 | 0 | 108.8 | I154 K155 L157 D183 F184 M209 | I154-H168 CarbonylContact C-O 3.59Å; I154-H168 WeakPolarHBondContact CA-O 3.3Å; K155-H168 PolarHBondContact N-O 2.82Å; K155-H168 PolarHBondContact O-N 2.77Å; L157-H168 HydrophobicContact CD1-CB 4.02Å; L157-H168 HydrophobicContact CD2-CB 3.85Å; L157-H168 HydrophobicContact CG-CB 4.05Å; H168-D183 IonicContact CD2-OD2 2.73Å; H168-D183 IonicContact CE1-OD2 3.89Å; H168-D183 WeakPolarHBondContact NE2-CB 3.29Å; H168-D183 IonicContact NE2-OD2 2.97Å; H168-D183 PolarHBondContact NE2-OD2 2.92Å; H168-F184 CarbonylContact C-O 3.52Å; H168-F184 VanDerWaalsContact CA-O 3.3Å; H168-F184 WeakPolarHBondContact CA-O 3.22Å; H168-F184 PolarHBondContact CD2-O 2.92Å; H168-M209 HydrophobicContact CB-CG 4.44Å |
| 169 | E | 98.4 | Very high | 89.7 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 15% | 0.15 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.4 | 178.8 | 172.7 | 176.4 | 174.5 | 0 | 0 | 108.8 | I154 D183 F184 R188 | I154-E169 HydrophobicContact CD1-CG 4.4Å; I154-E169 HydrophobicContact CG1-CB 4.35Å; I154-E169 HydrophobicContact CG1-CG 4.08Å; E169-D183 CarbonylContact O-C 3.53Å; E169-D183 VanDerWaalsContact O-CA 3.26Å; E169-D183 WeakPolarHBondContact O-CA 3.34Å; E169-F184 HydrophobicContact CB-CB 4.35Å; E169-F184 HydrophobicContact CG-CD2 4.42Å; E169-F184 PolarHBondContact N-O 3.35Å; E169-F184 PolarHBondContact O-N 3.3Å; E169-R188 IonicContact OE2-NH2 3.14Å; E169-R188 PolarHBondContact OE2-NH2 3.43Å |
| 170 | M | 97.1 | Very high | 89.3 | Confident | 39 Ų | 39 | 45.8 Ų | 45.8 | 19% | 0.192 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 113.6 | 174.3 | -169.9 | 166.8 | -65.1 | 0 | 0 | 108.7 | K152 E153 | K152-M170 HydrophobicContact CB-CB 4.41Å; K152-M170 HydrophobicContact CB-CG 4.31Å; K152-M170 WeakPolarHBondContact CB-O 3.17Å; K152-M170 HydrophobicContact CD-CG 4.26Å; K152-M170 HydrophobicContact CD-SD 3.9Å; K152-M170 PolarHBondContact N-O 3.04Å; E153-M170 HydrophobicContact CB-CB 4.45Å; E153-M170 PolarHBondContact N-O 2.91Å; E153-M170 PolarHBondContact O-N 2.99Å |
| 171 | A | 94 | Very high | 89 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 20% | 0.198 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 146.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | R182 F184 | A171-R182 PolarHBondContact N-O 3.37Å; A171-F184 HydrophobicContact CB-CE2 4.22Å |
| 172 | A | 89 | Confident | 89.1 | Confident | 29 Ų | 29 | 47 Ų | 47 | 24% | 0.24 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 165.8 | 167 | 0 | 0 | 0 | 0 | 0 | 110.6 | P149 N150 A174 | P149-A172 WeakPolarHBondContact O-CB 3.31Å; N150-A172 PolarHBondContact O-N 2.73Å; A172-A174 PolarHBondContact O-N 3.49Å |
| 173 | E | 80.4 | Confident | 89.3 | Confident | 120 Ų | 120 | 39.5 Ų | 39.5 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -62.3 | 131.9 | 175.2 | -62.8 | -179.1 | 167.2 | 0 | 0 | 110.2 | N177 | E173-N177 PolarHBondContact OE2-ND2 3.04Å; E173-N177 PolarHBondContact OE2-OD1 3.14Å |
| 174 | A | 74.6 | Confident | 89.5 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -115.4 | 155.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A172 G176 N177 V179 V259 | A172-A174 PolarHBondContact O-N 3.49Å; A174-G176 PolarHBondContact O-N 3.32Å; A174-N177 PolarHBondContact O-N 3.41Å; A174-V179 HydrophobicContact CB-CB 4.3Å; A174-V179 PolarHBondContact O-N 2.97Å; A174-V259 HydrophobicContact CB-CG1 4.28Å |
| 175 | A | 70.6 | Confident | 89.5 | Confident | 47 Ų | 47 | 36.8 Ų | 36.8 | 39% | 0.388 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | N177 L178 V179 V259 | A175-N177 VanDerWaalsContact C-N 3.29Å; A175-N177 PolarHBondContact O-N 3.47Å; A175-L178 HydrophobicContact CB-CB 4.28Å; A175-L178 WeakPolarHBondContact O-CB 3.47Å; A175-L178 WeakPolarHBondContact O-CD1 3.43Å; A175-L178 VanDerWaalsContact O-CG 3.32Å; A175-L178 WeakPolarHBondContact O-CG 3.45Å; A175-L178 PolarHBondContact O-N 3.35Å; A175-V179 HydrophobicContact CB-CG2 4.22Å; A175-V259 HydrophobicContact CB-CG2 3.87Å |
| 176 | G | 69.4 | Low | 89.5 | Confident | 75 Ų | 75 | 35.9 Ų | 35.9 | 77% | 0.773 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | A174 L178 | A174-G176 PolarHBondContact O-N 3.32Å; G176-L178 PolarHBondContact O-N 2.96Å |
| 177 | N | 75.4 | Confident | 89.5 | Confident | 110 Ų | 110 | 35.9 Ų | 35.9 | 59% | 0.588 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 12 | 178.2 | -53.6 | -2.9 | 0 | 0 | 0 | 114.8 | E173 A174 A175 V179 | E173-N177 PolarHBondContact OE2-ND2 3.04Å; E173-N177 PolarHBondContact OE2-OD1 3.14Å; A174-N177 PolarHBondContact O-N 3.41Å; A175-N177 VanDerWaalsContact C-N 3.29Å; A175-N177 PolarHBondContact O-N 3.47Å; N177-V179 VanDerWaalsContact C-N 3.3Å |
| 178 | L | 78.7 | Confident | 89.5 | Confident | 126 Ų | 126 | 37.1 Ų | 37.1 | 66% | 0.66 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -30.5 | 169.5 | -70.2 | 168 | 0 | 0 | 0 | 112.1 | A175 G176 | A175-L178 HydrophobicContact CB-CB 4.28Å; A175-L178 WeakPolarHBondContact O-CB 3.47Å; A175-L178 WeakPolarHBondContact O-CD1 3.43Å; A175-L178 VanDerWaalsContact O-CG 3.32Å; A175-L178 WeakPolarHBondContact O-CG 3.45Å; A175-L178 PolarHBondContact O-N 3.35Å; G176-L178 PolarHBondContact O-N 2.96Å |
| 179 | V | 85.5 | Confident | 89.5 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -104 | 105 | 177 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | A174 A175 N177 L251 V259 | A174-V179 HydrophobicContact CB-CB 4.3Å; A174-V179 PolarHBondContact O-N 2.97Å; A175-V179 HydrophobicContact CB-CG2 4.22Å; N177-V179 VanDerWaalsContact C-N 3.3Å; V179-L251 HydrophobicContact CG1-CD1 4.18Å; V179-L251 HydrophobicContact CG2-CD1 4.19Å; V179-L251 HydrophobicContact CG2-CD2 4.48Å; V179-V259 HydrophobicContact CG2-CG2 4.25Å |
| 180 | G | 88.3 | Confident | 89.4 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | trans | -55.7 | 166.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R182 | G180-R182 VanDerWaalsContact N-NH1 3.13Å; G180-R182 PolarHBondContact O-N 3.34Å; G180-R182 PolarHBondContact O-NH1 2.92Å | ||
| 181 | P | 92.5 | Very high | 89.4 | Confident | 51 Ų | 51 | 35.5 Ų | 35.5 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | trans | -63.5 | 137.7 | -174.3 | 27.2 | -36 | 0 | 0 | 0 | 111.7 | G214 V215 I216 | P181-G214 VanDerWaalsContact CG-O 3.32Å; P181-G214 WeakPolarHBondContact CG-O 3.29Å; P181-V215 HydrophobicContact CB-CG1 4.49Å; P181-V215 HydrophobicContact CB-CG2 4.41Å; P181-I216 PolarHBondContact O-N 3.06Å | ||
| 182 | R | 95.8 | Very high | 89.4 | Confident | 14 Ų | 14 | 40 Ų | 40 | 5% | 0.053 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.7 | 179.3 | -77.6 | 145.1 | 171.6 | 92 | 2.4 | 111.2 | A171 G180 I216 A218 L247 K248 L251 | A171-R182 PolarHBondContact N-O 3.37Å; G180-R182 VanDerWaalsContact N-NH1 3.13Å; G180-R182 PolarHBondContact O-N 3.34Å; G180-R182 PolarHBondContact O-NH1 2.92Å; R182-I216 WeakPolarHBondContact CA-O 3.24Å; R182-I216 HydrophobicContact CG-CB 4.11Å; R182-A218 HydrophobicContact CB-CB 4.13Å; R182-A218 HydrophobicContact CG-CB 4.13Å; R182-L247 PolarHBondContact NE-O 2.89Å; R182-L247 PolarHBondContact NH2-O 3.24Å; R182-K248 PolarHBondContact NH2-O 2.93Å; R182-L251 VanDerWaalsContact NH2-CD1 3.27Å |
| 183 | D | 97.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 162.1 | 168.5 | 77.1 | -22.3 | 0 | 0 | 0 | 110.9 | H168 E169 V215 I216 R217 A218 | H168-D183 IonicContact CD2-OD2 2.73Å; H168-D183 IonicContact CE1-OD2 3.89Å; H168-D183 WeakPolarHBondContact NE2-CB 3.29Å; H168-D183 IonicContact NE2-OD2 2.97Å; H168-D183 PolarHBondContact NE2-OD2 2.92Å; E169-D183 CarbonylContact O-C 3.53Å; E169-D183 VanDerWaalsContact O-CA 3.26Å; E169-D183 WeakPolarHBondContact O-CA 3.34Å; D183-V215 HydrophobicContact CB-CG1 3.77Å; D183-I216 PolarHBondContact N-O 2.87Å; D183-I216 VanDerWaalsContact N-O 3.13Å; D183-R217 VanDerWaalsContact CG-NE 3.31Å; D183-R217 VanDerWaalsContact OD1-CA 3.31Å; D183-R217 WeakPolarHBondContact OD1-CA 3.49Å; D183-R217 IonicContact OD1-CZ 3.84Å; D183-R217 IonicContact OD1-NE 3.73Å; D183-R217 PolarHBondContact OD1-NE 3.3Å; D183-R217 IonicContact OD1-NH2 2.63Å; D183-R217 IonicContact OD2-CZ 3.03Å; D183-R217 IonicContact OD2-NE 2.83Å; D183-R217 PolarHBondContact OD2-NE 2.96Å; D183-R217 IonicContact OD2-NH2 2.94Å; D183-R217 PolarHBondContact OD2-NH2 3.32Å; D183-A218 PolarHBondContact O-N 3.48Å |
| 184 | F | 98.6 | Very high | 89.7 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136.5 | -179.3 | -57.2 | -92.8 | 0 | 0 | 0 | 109 | H168 E169 A171 A218 H220 I245 L247 | H168-F184 CarbonylContact C-O 3.52Å; H168-F184 VanDerWaalsContact CA-O 3.3Å; H168-F184 WeakPolarHBondContact CA-O 3.22Å; H168-F184 PolarHBondContact CD2-O 2.92Å; E169-F184 HydrophobicContact CB-CB 4.35Å; E169-F184 HydrophobicContact CG-CD2 4.42Å; E169-F184 PolarHBondContact N-O 3.35Å; E169-F184 PolarHBondContact O-N 3.3Å; A171-F184 HydrophobicContact CB-CE2 4.22Å; F184-A218 HydrophobicContact CD1-CB 3.85Å; F184-A218 WeakPolarHBondContact CD1-O 3.23Å; F184-A218 HydrophobicContact CE1-CB 3.25Å; F184-A218 HydrophobicContact CE2-CB 4.43Å; F184-A218 HydrophobicContact CZ-CB 3.59Å; F184-H220 AromaticContact CD1-CD2 3.58Å; F184-H220 AromaticContact CD1-NE2 3.73Å; F184-H220 AromaticContact CG-CD2 3.93Å; F184-H220 AromaticContact CG-NE2 3.88Å; F184-I245 HydrophobicContact CE1-CG2 3.93Å; F184-I245 HydrophobicContact CZ-CD1 4.45Å; F184-I245 HydrophobicContact CZ-CG2 4.28Å; F184-L247 HydrophobicContact CZ-CD2 4.47Å |
| 185 | V | 98.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.8 | 164.4 | 174.3 | 0 | 0 | 0 | 0 | 106.5 | I166 T167 A203 T204 F206 M209 | I166-V185 HydrophobicContact CG2-CG1 4.29Å; T167-V185 WeakPolarHBondContact O-CA 3.45Å; V185-A203 WeakPolarHBondContact O-CA 3.45Å; V185-T204 HydrophobicContact CG1-CG2 4.14Å; V185-T204 WeakPolarHBondContact CG1-O 3.28Å; V185-T204 PolarHBondContact O-N 3.46Å; V185-T204 VanDerWaalsContact O-N 3.12Å; V185-F206 HydrophobicContact CG1-CB 3.63Å; V185-M209 HydrophobicContact CG2-CB 4.3Å; V185-M209 HydrophobicContact CG2-CG 3.93Å |
| 186 | S | 98.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 142.1 | -170.5 | -65.3 | 0 | 0 | 0 | 0 | 111.8 | I166 T167 M202 H220 | I166-S186 WeakPolarHBondContact CA-O 3.49Å; T167-S186 PolarHBondContact N-O 3.18Å; T167-S186 PolarHBondContact O-N 2.96Å; T167-S186 PolarHBondContact OG1-O 3.46Å; S186-M202 CarbonylContact C-O 3.54Å; S186-M202 VanDerWaalsContact CA-O 3.23Å; S186-M202 WeakPolarHBondContact CA-O 3.3Å; S186-M202 VanDerWaalsContact CB-O 3.23Å; S186-M202 WeakPolarHBondContact CB-O 3.22Å; S186-H220 PolarHBondContact OG-CD2 3.41Å |
| 187 | V | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 135.6 | 164.8 | 64.3 | 0 | 0 | 0 | 0 | 108.2 | Y75 Q78 T164 G201 M202 T204 | Y75-V187 WeakPolarHBondContact O-CG2 3.17Å; Q78-V187 HydrophobicContact CB-CG1 3.69Å; T164-V187 HydrophobicContact CG2-CG2 3.69Å; V187-G201 WeakPolarHBondContact O-CA 3.31Å; V187-M202 HydrophobicContact CG1-CG 4.12Å; V187-M202 PolarHBondContact N-O 2.68Å; V187-M202 PolarHBondContact O-N 3.25Å; V187-M202 VanDerWaalsContact O-N 3.11Å; V187-T204 HydrophobicContact CB-CG2 4Å; V187-T204 VanDerWaalsContact N-CG2 3.32Å |
| 188 | R | 98.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148 | 179.9 | -53.3 | -67 | -168.2 | 155.4 | -0.4 | 109 | T164 F165 T167 E169 L199 A200 H220 | T164-R188 VanDerWaalsContact CA-O 3.29Å; T164-R188 WeakPolarHBondContact CA-O 3.24Å; F165-R188 HydrophobicContact CD2-CB 3.9Å; F165-R188 HydrophobicContact CD2-CG 4.35Å; F165-R188 HydrophobicContact CE1-CB 4.4Å; F165-R188 HydrophobicContact CE2-CB 3.43Å; F165-R188 VanDerWaalsContact CE2-CB 3.43Å; F165-R188 HydrophobicContact CE2-CG 3.88Å; F165-R188 HydrophobicContact CZ-CB 3.72Å; F165-R188 PolarHBondContact N-O 2.95Å; F165-R188 PolarHBondContact O-N 3.39Å; T167-R188 HydrophobicContact CG2-CG 4Å; E169-R188 IonicContact OE2-NH2 3.14Å; E169-R188 PolarHBondContact OE2-NH2 3.43Å; R188-L199 HydrophobicContact CB-CD1 4.2Å; R188-A200 CarbonylContact C-O 3.55Å; R188-A200 WeakPolarHBondContact CA-O 3.09Å; R188-H220 PolarHBondContact NH2-NE2 3.01Å |
| 189 | C | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 114.7 | 178.2 | -172.1 | 0 | 0 | 0 | 0 | 109 | M83 D163 A200 | M83-C189 HydrophobicContact CE-CB 4.09Å; M83-C189 WeakPolarHBondContact CE-O 3.38Å; D163-C189 CarbonylContact O-C 3.58Å; D163-C189 WeakPolarHBondContact O-CA 3.21Å; C189-A200 PolarHBondContact N-O 3.05Å; C189-A200 PolarHBondContact O-N 3.37Å |
| 190 | A | 97.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 106.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | V138 D163 F165 V198 L199 | V138-A190 HydrophobicContact CG1-CB 3.76Å; D163-A190 VanDerWaalsContact CB-O 3.3Å; D163-A190 WeakPolarHBondContact CB-O 3.36Å; D163-A190 PolarHBondContact O-N 2.95Å; F165-A190 HydrophobicContact CE1-CB 4.03Å; F165-A190 HydrophobicContact CZ-CB 4.48Å; A190-V198 CarbonylContact C-O 3.54Å; A190-V198 WeakPolarHBondContact CA-O 3.41Å; A190-L199 HydrophobicContact CB-CD1 4.04Å |
| 191 | K | 96.3 | Very high | 95.9 | Very high | 43 Ų | 43 | 29.3 Ų | 29.3 | 19% | 0.187 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 143.6 | 179.5 | -69.4 | -171.4 | 173.3 | -178.2 | 0 | 111.9 | E80 M83 D163 V198 | E80-K191 IonicContact OE1-NZ 2.68Å; E80-K191 PolarHBondContact OE1-NZ 3.28Å; M83-K191 HydrophobicContact CE-CB 3.82Å; M83-K191 HydrophobicContact CE-CD 4.15Å; M83-K191 HydrophobicContact CE-CG 3.89Å; M83-K191 HydrophobicContact SD-CB 4.16Å; M83-K191 HydrophobicContact SD-CD 4.03Å; M83-K191 HydrophobicContact SD-CG 4.33Å; D163-K191 HydrophobicContact CB-CG 4.07Å; D163-K191 WeakPolarHBondContact OD2-CE 3.28Å; D163-K191 WeakPolarHBondContact OD2-CG 3.27Å; K191-V198 PolarHBondContact N-O 2.74Å; K191-V198 PolarHBondContact O-N 2.8Å |
| 192 | R | 94.4 | Very high | 96.2 | Very high | 118 Ų | 118 | 28.2 Ų | 28.2 | 45% | 0.445 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.6 | 167.8 | -172.9 | 175.3 | -71.2 | -107.5 | 2.2 | 109.6 | E131 T196 C197 | E131-R192 IonicContact OE1-CZ 3.6Å; E131-R192 IonicContact OE1-NH1 3.27Å; E131-R192 PolarHBondContact OE1-NH1 3.45Å; E131-R192 IonicContact OE1-NH2 3.61Å; R192-T196 CarbonylContact C-O 3.55Å; R192-T196 WeakPolarHBondContact CA-O 3.31Å; R192-C197 PolarHBondContact NE-SG 3.04Å; R192-C197 VanDerWaalsContact NE-SG 3.38Å; R192-C197 PolarHBondContact NH2-SG 2.83Å; R192-C197 VanDerWaalsContact NH2-SG 3.36Å |
| 193 | R | 87.4 | Confident | 96.4 | Very high | 151 Ų | 151 | 28.8 Ų | 28.8 | 57% | 0.57 | 16% | 0.156 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 100.1 | 174.4 | -67.6 | -169.1 | 179.3 | -167.6 | 1 | 109.1 | S195 T196 | R193-S195 PolarHBondContact O-N 2.94Å; R193-T196 PolarHBondContact N-O 2.9Å; R193-T196 PolarHBondContact O-N 3.03Å |
| 194 | G | 87.4 | Confident | 96.4 | Very high | 70 Ų | 70 | 29.4 Ų | 29.4 | 72% | 0.722 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | -122.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111 | T196 | G194-T196 VanDerWaalsContact C-N 3.32Š|
| 195 | S | 88.5 | Confident | 96.4 | Very high | 70 Ų | 70 | 35.9 Ų | 35.9 | 49% | 0.49 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2.3 | 178 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | M130 R193 P229 | M130-S195 VanDerWaalsContact CE-O 3.3Å; M130-S195 WeakPolarHBondContact CE-O 3.47Å; R193-S195 PolarHBondContact O-N 2.94Å; S195-P229 WeakPolarHBondContact O-CD 3.4Å |
| 196 | T | 94.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 36.8 Ų | 36.8 | 15% | 0.153 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.3 | -174.7 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | R192 R193 G194 V198 V226 L227 H228 | R192-T196 CarbonylContact C-O 3.55Å; R192-T196 WeakPolarHBondContact CA-O 3.31Å; R193-T196 PolarHBondContact N-O 2.9Å; R193-T196 PolarHBondContact O-N 3.03Å; G194-T196 VanDerWaalsContact C-N 3.32Å; T196-V198 HydrophobicContact CG2-CG2 4.26Å; T196-V226 HydrophobicContact CG2-CG1 3.56Å; T196-L227 WeakPolarHBondContact CA-O 3.47Å; T196-L227 VanDerWaalsContact CG2-O 3.24Å; T196-L227 WeakPolarHBondContact CG2-O 3.46Å; T196-H228 PolarHBondContact OG1-ND1 3.24Å |
| 197 | C | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 139 | 170.5 | -74.2 | 0 | 0 | 0 | 0 | 110.3 | M130 Y134 R192 L227 | M130-C197 HydrophobicContact SD-CB 4.37Å; Y134-C197 HydrophobicContact CD2-CB 3.7Å; Y134-C197 HydrophobicContact CE2-CB 4.1Å; R192-C197 PolarHBondContact NE-SG 3.04Å; R192-C197 VanDerWaalsContact NE-SG 3.38Å; R192-C197 PolarHBondContact NH2-SG 2.83Å; R192-C197 VanDerWaalsContact NH2-SG 3.36Å; C197-L227 HydrophobicContact CB-CB 4.19Å; C197-L227 HydrophobicContact CB-CD1 4.26Å; C197-L227 PolarHBondContact N-O 3.41Å; C197-L227 PolarHBondContact O-N 2.79Å |
| 198 | V | 98.1 | Very high | 96 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.6 | 178.3 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | M83 L87 A190 K191 T196 C224 M225 V226 | M83-V198 HydrophobicContact CE-CB 4.44Å; M83-V198 HydrophobicContact CE-CG1 4.33Å; M83-V198 HydrophobicContact CG-CG1 4.39Å; L87-V198 HydrophobicContact CD2-CG1 4.28Å; A190-V198 CarbonylContact C-O 3.54Å; A190-V198 WeakPolarHBondContact CA-O 3.41Å; K191-V198 PolarHBondContact N-O 2.74Å; K191-V198 PolarHBondContact O-N 2.8Å; T196-V198 HydrophobicContact CG2-CG2 4.26Å; V198-C224 HydrophobicContact CG1-CB 4.29Å; V198-M225 CarbonylContact C-O 3.57Å; V198-M225 VanDerWaalsContact CA-O 3.31Å; V198-M225 WeakPolarHBondContact CA-O 3.37Å; V198-V226 HydrophobicContact CG1-CG2 4.33Å; V198-V226 HydrophobicContact CG2-CG1 4.38Å; V198-V226 HydrophobicContact CG2-CG2 4.3Å |
| 199 | L | 98.5 | Very high | 96 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.7 | 165.1 | 175.2 | 67.2 | 0 | 0 | 0 | 107.6 | V138 M141 F165 R188 A190 C224 M225 | V138-L199 HydrophobicContact CG2-CB 4.35Å; V138-L199 HydrophobicContact CG2-CD2 4.36Å; M141-L199 HydrophobicContact CE-CD1 4.5Å; M141-L199 HydrophobicContact CE-CD2 4.46Å; F165-L199 HydrophobicContact CZ-CD1 3.84Å; R188-L199 HydrophobicContact CB-CD1 4.2Å; A190-L199 HydrophobicContact CB-CD1 4.04Å; L199-C224 CarbonylContact O-C 3.57Å; L199-C224 WeakPolarHBondContact O-CA 3.37Å; L199-C224 WeakPolarHBondContact O-CB 3.4Å; L199-M225 HydrophobicContact CB-CB 4.44Å; L199-M225 PolarHBondContact N-O 2.77Å; L199-M225 PolarHBondContact O-N 2.98Å |
| 200 | A | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 161.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | M83 R188 C189 T223 C224 | M83-A200 VanDerWaalsContact CA-CB 3.45Å; M83-A200 HydrophobicContact CB-CB 3.61Å; M83-A200 HydrophobicContact CE-CB 4Å; M83-A200 HydrophobicContact CG-CB 4.03Å; R188-A200 CarbonylContact C-O 3.55Å; R188-A200 WeakPolarHBondContact CA-O 3.09Å; C189-A200 PolarHBondContact N-O 3.05Å; C189-A200 PolarHBondContact O-N 3.37Å; A200-T223 CarbonylContact C-O 3.43Å; A200-T223 VanDerWaalsContact CA-O 3.28Å; A200-T223 WeakPolarHBondContact CA-O 3.21Å; A200-C224 HydrophobicContact CB-CB 4.04Å |
| 201 | G | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | 169 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V187 T223 | V187-G201 WeakPolarHBondContact O-CA 3.31Å; G201-T223 PolarHBondContact N-O 3.3Å; G201-T223 PolarHBondContact O-N 3.39Å |
| 202 | M | 98.8 | Very high | 95.7 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 165.3 | 173.2 | 65.5 | 171.6 | 75.1 | 0 | 0 | 109.6 | E81 A82 S186 V187 | E81-M202 HydrophobicContact CB-CE 4.06Å; A82-M202 HydrophobicContact CB-CB 4.13Å; A82-M202 HydrophobicContact CB-CE 3.44Å; A82-M202 VanDerWaalsContact CB-CE 3.44Å; A82-M202 HydrophobicContact CB-CG 4.03Å; S186-M202 CarbonylContact C-O 3.54Å; S186-M202 VanDerWaalsContact CA-O 3.23Å; S186-M202 WeakPolarHBondContact CA-O 3.3Å; S186-M202 VanDerWaalsContact CB-O 3.23Å; S186-M202 WeakPolarHBondContact CB-O 3.22Å; V187-M202 HydrophobicContact CG1-CG 4.12Å; V187-M202 PolarHBondContact N-O 2.68Å; V187-M202 PolarHBondContact O-N 3.25Å; V187-M202 VanDerWaalsContact O-N 3.11Å |
| 203 | A | 98.7 | Very high | 95.7 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 144.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V185 E219 H220 | V185-A203 WeakPolarHBondContact O-CA 3.45Å; A203-E219 HydrophobicContact CB-CB 3.85Å; A203-E219 HydrophobicContact CB-CG 3.93Å; A203-H220 WeakPolarHBondContact CB-O 3.38Å; A203-H220 PolarHBondContact N-O 3.26Å |
| 204 | T | 98.6 | Very high | 95.9 | Very high | 13 Ų | 13 | 59.9 Ų | 59.9 | 8% | 0.08 | 37% | 0.366 | C | S | . | . | trans | -143.4 | 153.5 | 178.1 | -161.1 | 0 | 0 | 0 | 0 | 110.5 | Y75 Q78 I166 V185 V187 | Y75-T204 HydrophobicContact CD1-CG2 4.48Å; Y75-T204 WeakPolarHBondContact CD1-OG1 3.43Å; Y75-T204 HydrophobicContact CE1-CG2 4.15Å; Y75-T204 WeakPolarHBondContact CE1-OG1 3.48Å; Q78-T204 PolarHBondContact OE1-OG1 2.87Å; I166-T204 HydrophobicContact CG2-CG2 4.06Å; V185-T204 HydrophobicContact CG1-CG2 4.14Å; V185-T204 WeakPolarHBondContact CG1-O 3.28Å; V185-T204 PolarHBondContact O-N 3.46Å; V185-T204 VanDerWaalsContact O-N 3.12Å; V187-T204 HydrophobicContact CB-CG2 4Å; V187-T204 VanDerWaalsContact N-CG2 3.32Å | ||
| 205 | D | 97.9 | Very high | 96.3 | Very high | 145 Ų | 145 | 58 Ų | 58 | 78% | 0.775 | 34% | 0.34 | S | S | * | . | trans | -84.8 | 119.6 | 173.2 | -65.4 | -41.8 | 0 | 0 | 0 | 109.7 | Y75 | Y75-D205 WeakPolarHBondContact CE1-O 3.49Å; Y75-D205 PolarHBondContact OH-O 3.25Å | ||
| 206 | F | 98 | Very high | 96.6 | Very high | 23 Ų | 23 | 58 Ų | 58 | 10% | 0.101 | 33% | 0.333 | C | S | . | . | trans | -128.9 | 98.7 | 175 | -169 | -110.9 | 0 | 0 | 0 | 109.4 | Y75 L157 Q158 I166 V185 N208 M209 | Y75-F206 HydrophobicContact CE2-CD2 4.43Å; Y75-F206 WeakPolarHBondContact OH-CD2 3.48Å; L157-F206 HydrophobicContact CB-CD1 4.31Å; L157-F206 HydrophobicContact CB-CE1 3.72Å; L157-F206 HydrophobicContact CB-CZ 4.1Å; L157-F206 HydrophobicContact CD1-CD1 3.42Å; L157-F206 VanDerWaalsContact CD1-CD1 3.42Å; L157-F206 HydrophobicContact CD1-CE1 3.64Å; L157-F206 HydrophobicContact CD1-CG 4.26Å; L157-F206 HydrophobicContact CG-CE1 4.29Å; Q158-F206 HydrophobicContact CB-CE2 4.39Å; Q158-F206 HydrophobicContact CB-CZ 4.35Å; I166-F206 HydrophobicContact CD1-CD2 3.44Å; I166-F206 VanDerWaalsContact CD1-CD2 3.44Å; I166-F206 HydrophobicContact CD1-CE2 3.65Å; I166-F206 HydrophobicContact CD1-CG 4.36Å; I166-F206 HydrophobicContact CG2-CB 4.28Å; I166-F206 HydrophobicContact CG2-CD2 4.22Å; I166-F206 HydrophobicContact CG2-CG 4.15Å; V185-F206 HydrophobicContact CG1-CB 3.63Å; F206-N208 HydrophobicContact CD1-CB 3.99Å; F206-N208 HydrophobicContact CE1-CB 3.53Å; F206-N208 HydrophobicContact CZ-CB 3.97Å; F206-N208 PolarHBondContact O-N 2.85Å; F206-M209 HydrophobicContact CD1-CB 3.79Å; F206-M209 HydrophobicContact CE1-CB 4.49Å; F206-M209 CarbonylContact O-C 3.04Å; F206-M209 PolarHBondContact O-N 2.88Å | ||
| 207 | G | 95.4 | Very high | 96.8 | Very high | 73 Ų | 73 | 58.1 Ų | 58.1 | 75% | 0.753 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M209 | G207-M209 PolarHBondContact O-N 3.48Š|
| 208 | N | 95.8 | Very high | 96.8 | Very high | 138 Ų | 138 | 58.1 Ų | 58.1 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -3.1 | 176.2 | -63.9 | -16.3 | 0 | 0 | 0 | 113.3 | F206 | F206-N208 HydrophobicContact CD1-CB 3.99Å; F206-N208 HydrophobicContact CE1-CB 3.53Å; F206-N208 HydrophobicContact CZ-CB 3.97Å; F206-N208 PolarHBondContact O-N 2.85Å |
| 209 | M | 97.6 | Very high | 96.8 | Very high | 42 Ų | 42 | 61.9 Ų | 61.9 | 21% | 0.207 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -135 | 72.3 | 172.8 | -169.9 | 57.2 | 72.1 | 0 | 0 | 111.4 | L157 H168 V185 F206 G207 R217 | L157-M209 HydrophobicContact CD1-CB 3.73Å; L157-M209 HydrophobicContact CD1-CG 4.09Å; L157-M209 HydrophobicContact CD2-CE 3.77Å; H168-M209 HydrophobicContact CB-CG 4.44Å; V185-M209 HydrophobicContact CG2-CB 4.3Å; V185-M209 HydrophobicContact CG2-CG 3.93Å; F206-M209 HydrophobicContact CD1-CB 3.79Å; F206-M209 HydrophobicContact CE1-CB 4.49Å; F206-M209 CarbonylContact O-C 3.04Å; F206-M209 PolarHBondContact O-N 2.88Å; G207-M209 PolarHBondContact O-N 3.48Å; M209-R217 PolarHBondContact O-NH1 2.88Å |
| 210 | P | 96.9 | Very high | 96.8 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 51% | 0.506 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 169.2 | 176.7 | 30.6 | -35.7 | 0 | 0 | 0 | 112 | Q212 R217 | P210-Q212 PolarHBondContact O-NE2 3.27Å; P210-R217 PolarHBondContact O-NH2 2.86Å; P210-R217 VanDerWaalsContact O-NH2 3.1Å |
| 211 | E | 96.1 | Very high | 96.8 | Very high | 123 Ų | 123 | 62.4 Ų | 62.4 | 58% | 0.575 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 138.7 | 175.7 | -53.9 | -169.4 | 168 | 0 | 0 | 111.4 | R217 | E211-R217 HydrophobicContact CG-CB 3.68Å; E211-R217 HydrophobicContact CG-CG 4.14Å; E211-R217 VanDerWaalsContact OE1-CB 3.24Å; E211-R217 WeakPolarHBondContact OE1-CB 3.12Å |
| 212 | Q | 93.9 | Very high | 96.8 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -100 | 140.6 | -178 | -59.9 | -59.9 | -49.5 | 0 | 0 | 110.6 | P210 G214 V215 | P210-Q212 PolarHBondContact O-NE2 3.27Å; Q212-G214 PolarHBondContact O-N 3.25Å; Q212-V215 PolarHBondContact O-N 2.87Å |
| 213 | K | 94.1 | Very high | 96.8 | Very high | 216 Ų | 216 | 62 Ų | 62 | 94% | 0.939 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 129.1 | -179.2 | -174.3 | -179.7 | 179.3 | -178.2 | 0 | 110.7 | ||
| 214 | G | 91.6 | Very high | 96.7 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P181 Q212 | P181-G214 VanDerWaalsContact CG-O 3.32Å; P181-G214 WeakPolarHBondContact CG-O 3.29Å; Q212-G214 PolarHBondContact O-N 3.25Å |
| 215 | V | 94.9 | Very high | 96.7 | Very high | 30 Ų | 30 | 61.1 Ų | 61.1 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -123.2 | 132.8 | 175.1 | -176.2 | 0 | 0 | 0 | 0 | 109 | P181 D183 Q212 | P181-V215 HydrophobicContact CB-CG1 4.49Å; P181-V215 HydrophobicContact CB-CG2 4.41Å; D183-V215 HydrophobicContact CB-CG1 3.77Å; Q212-V215 PolarHBondContact O-N 2.87Å |
| 216 | I | 95.6 | Very high | 96.8 | Very high | 69 Ų | 69 | 55.3 Ų | 55.3 | 35% | 0.354 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.6 | 178.7 | -62 | 175.4 | 0 | 0 | 0 | 109.2 | P181 R182 D183 A218 K248 | P181-I216 PolarHBondContact O-N 3.06Å; R182-I216 WeakPolarHBondContact CA-O 3.24Å; R182-I216 HydrophobicContact CG-CB 4.11Å; D183-I216 PolarHBondContact N-O 2.87Å; D183-I216 VanDerWaalsContact N-O 3.13Å; I216-A218 PolarHBondContact O-N 2.87Å; I216-K248 HydrophobicContact CG2-CB 4.01Å |
| 217 | R | 97.9 | Very high | 96.8 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 95.7 | 172.7 | -178.1 | 60.2 | 53.9 | 80.2 | -3.7 | 110.9 | D183 M209 P210 E211 K248 | D183-R217 VanDerWaalsContact CG-NE 3.31Å; D183-R217 VanDerWaalsContact OD1-CA 3.31Å; D183-R217 WeakPolarHBondContact OD1-CA 3.49Å; D183-R217 IonicContact OD1-CZ 3.84Å; D183-R217 IonicContact OD1-NE 3.73Å; D183-R217 PolarHBondContact OD1-NE 3.3Å; D183-R217 IonicContact OD1-NH2 2.63Å; D183-R217 IonicContact OD2-CZ 3.03Å; D183-R217 IonicContact OD2-NE 2.83Å; D183-R217 PolarHBondContact OD2-NE 2.96Å; D183-R217 IonicContact OD2-NH2 2.94Å; D183-R217 PolarHBondContact OD2-NH2 3.32Å; M209-R217 PolarHBondContact O-NH1 2.88Å; P210-R217 PolarHBondContact O-NH2 2.86Å; P210-R217 VanDerWaalsContact O-NH2 3.1Å; E211-R217 HydrophobicContact CG-CB 3.68Å; E211-R217 HydrophobicContact CG-CG 4.14Å; E211-R217 VanDerWaalsContact OE1-CB 3.24Å; E211-R217 WeakPolarHBondContact OE1-CB 3.12Å; R217-K248 VanDerWaalsContact O-CD 3.27Å; R217-K248 WeakPolarHBondContact O-CD 3.44Å; R217-K248 WeakPolarHBondContact O-CE 3.36Å; R217-K248 PolarHBondContact O-NZ 3.36Å |
| 218 | A | 97.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | trans | -78.9 | 159.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | R182 D183 F184 I216 D246 | R182-A218 HydrophobicContact CB-CB 4.13Å; R182-A218 HydrophobicContact CG-CB 4.13Å; D183-A218 PolarHBondContact O-N 3.48Å; F184-A218 HydrophobicContact CD1-CB 3.85Å; F184-A218 WeakPolarHBondContact CD1-O 3.23Å; F184-A218 HydrophobicContact CE1-CB 3.25Å; F184-A218 HydrophobicContact CE2-CB 4.43Å; F184-A218 HydrophobicContact CZ-CB 3.59Å; I216-A218 PolarHBondContact O-N 2.87Å; A218-D246 WeakPolarHBondContact CA-O 3.29Å; A218-D246 WeakPolarHBondContact CB-O 3.26Å | ||
| 219 | E | 98.3 | Very high | 96.9 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.8 | -174.2 | -73.9 | 177.1 | -164.4 | 0 | 0 | 111.3 | A203 I245 D246 K248 | A203-E219 HydrophobicContact CB-CB 3.85Å; A203-E219 HydrophobicContact CB-CG 3.93Å; E219-I245 CarbonylContact O-C 3.5Å; E219-I245 WeakPolarHBondContact O-CA 3.42Å; E219-D246 PolarHBondContact N-O 2.88Å; E219-D246 PolarHBondContact O-N 2.89Å; E219-K248 VanDerWaalsContact CD-CE 3.48Å; E219-K248 WeakPolarHBondContact OE1-CE 3.49Å; E219-K248 IonicContact OE1-NZ 2.68Å; E219-K248 PolarHBondContact OE1-NZ 3.45Å |
| 220 | H | 98.3 | Very high | 96.8 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 6% | 0.06 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.1 | 164.5 | -80.2 | -66.3 | 0 | 0 | 0 | 110.2 | F184 S186 R188 A203 S244 I245 | F184-H220 AromaticContact CD1-CD2 3.58Å; F184-H220 AromaticContact CD1-NE2 3.73Å; F184-H220 AromaticContact CG-CD2 3.93Å; F184-H220 AromaticContact CG-NE2 3.88Å; S186-H220 PolarHBondContact OG-CD2 3.41Å; R188-H220 PolarHBondContact NH2-NE2 3.01Å; A203-H220 WeakPolarHBondContact CB-O 3.38Å; A203-H220 PolarHBondContact N-O 3.26Å; H220-S244 WeakPolarHBondContact CA-O 3.37Å; H220-I245 WeakPolarHBondContact ND1-CG1 3.47Å |
| 221 | G | 98.3 | Very high | 96.5 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | trans | -74.5 | -170.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T223 S244 | G221-T223 PolarHBondContact O-N 3.31Å; G221-T223 PolarHBondContact O-OG1 3.08Å; G221-T223 VanDerWaalsContact O-OG1 3.05Å; G221-S244 WeakPolarHBondContact CA-OG 3.39Å; G221-S244 PolarHBondContact N-O 2.98Å | ||
| 222 | P | 98.2 | Very high | 96.2 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -56.7 | 109.2 | 176.4 | -24.1 | 34.4 | 0 | 0 | 0 | 111.7 | K85 A86 V116 S244 | K85-P222 HydrophobicContact CB-CB 3.89Å; K85-P222 HydrophobicContact CB-CG 3.99Å; K85-P222 HydrophobicContact CD-CG 4.15Å; A86-P222 HydrophobicContact CB-CB 4.29Å; V116-P222 HydrophobicContact CG2-CG 4.48Å; P222-S244 WeakPolarHBondContact O-CB 3.32Å |
| 223 | T | 98.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140.9 | -175 | -66.9 | 0 | 0 | 0 | 0 | 108.6 | A200 G201 G221 L242 L243 S244 | A200-T223 CarbonylContact C-O 3.43Å; A200-T223 VanDerWaalsContact CA-O 3.28Å; A200-T223 WeakPolarHBondContact CA-O 3.21Å; G201-T223 PolarHBondContact N-O 3.3Å; G201-T223 PolarHBondContact O-N 3.39Å; G221-T223 PolarHBondContact O-N 3.31Å; G221-T223 PolarHBondContact O-OG1 3.08Å; G221-T223 VanDerWaalsContact O-OG1 3.05Å; T223-L242 WeakPolarHBondContact CA-O 3.31Å; T223-L242 WeakPolarHBondContact CG2-O 3.31Å; T223-L243 HydrophobicContact CG2-CD1 4.01Å; T223-S244 PolarHBondContact OG1-N 3.33Å; T223-S244 PolarHBondContact OG1-O 2.88Å |
| 224 | C | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 150.3 | 171 | 73.4 | 0 | 0 | 0 | 0 | 113.9 | A86 L90 V198 L199 A200 W241 L242 | A86-C224 HydrophobicContact CB-CB 3.71Å; A86-C224 VanDerWaalsContact CB-SG 3.6Å; L90-C224 VanDerWaalsContact CD1-SG 3.51Å; V198-C224 HydrophobicContact CG1-CB 4.29Å; L199-C224 CarbonylContact O-C 3.57Å; L199-C224 WeakPolarHBondContact O-CA 3.37Å; L199-C224 WeakPolarHBondContact O-CB 3.4Å; A200-C224 HydrophobicContact CB-CB 4.04Å; C224-W241 CarbonylContact O-C 3.59Å; C224-W241 WeakPolarHBondContact O-CA 3.33Å; C224-L242 PolarHBondContact N-O 3.43Å; C224-L242 PolarHBondContact O-N 2.72Å |
| 225 | M | 98.7 | Very high | 96.1 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.7 | 166.6 | -69.4 | -178.4 | 167 | 0 | 0 | 108.9 | L137 V198 L199 L239 T240 W241 F267 | L137-M225 HydrophobicContact CD1-SD 4.34Å; V198-M225 CarbonylContact C-O 3.57Å; V198-M225 VanDerWaalsContact CA-O 3.31Å; V198-M225 WeakPolarHBondContact CA-O 3.37Å; L199-M225 HydrophobicContact CB-CB 4.44Å; L199-M225 PolarHBondContact N-O 2.77Å; L199-M225 PolarHBondContact O-N 2.98Å; M225-L239 HydrophobicContact CB-CD1 4.11Å; M225-L239 HydrophobicContact CG-CD1 4.4Å; M225-T240 CarbonylContact C-O 3.59Å; M225-T240 WeakPolarHBondContact CA-O 3.47Å; M225-W241 HydrophobicContact CE-CB 4.37Å; M225-W241 HydrophobicContact CE-CD2 3.46Å; M225-W241 VanDerWaalsContact CE-CD2 3.46Å; M225-W241 HydrophobicContact CE-CE3 3.91Å; M225-W241 HydrophobicContact CE-CG 3.67Å; M225-W241 HydrophobicContact CE-CH2 4.47Å; M225-W241 HydrophobicContact CE-CZ2 4.08Å; M225-W241 HydrophobicContact CE-CZ3 4.37Å; M225-W241 HydrophobicContact CG-CB 3.96Å; M225-W241 VanDerWaalsContact CG-CD1 3.47Å; M225-W241 HydrophobicContact CG-CG 3.73Å; M225-F267 HydrophobicContact CE-CE1 3.85Å; M225-F267 HydrophobicContact CE-CE2 3.91Å; M225-F267 HydrophobicContact CE-CZ 3.46Å; M225-F267 VanDerWaalsContact CE-CZ 3.46Å; M225-F267 HydrophobicContact SD-CZ 4.28Å |
| 226 | V | 98.5 | Very high | 96.2 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 121.3 | 176.5 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | L87 L90 T196 V198 L239 T240 | L87-V226 HydrophobicContact CD2-CG2 3.9Å; L90-V226 HydrophobicContact CD1-CG2 3.86Å; T196-V226 HydrophobicContact CG2-CG1 3.56Å; V198-V226 HydrophobicContact CG1-CG2 4.33Å; V198-V226 HydrophobicContact CG2-CG1 4.38Å; V198-V226 HydrophobicContact CG2-CG2 4.3Å; V226-L239 WeakPolarHBondContact O-CA 3.43Å; V226-T240 PolarHBondContact N-O 2.77Å; V226-T240 PolarHBondContact O-N 3.41Å |
| 227 | L | 98.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.2 | 173 | -52.6 | 178.4 | 0 | 0 | 0 | 108.5 | M130 L133 Y134 L137 T196 C197 T237 L239 | M130-L227 HydrophobicContact CG-CB 3.71Å; M130-L227 HydrophobicContact CG-CD1 4.4Å; M130-L227 HydrophobicContact SD-CB 4Å; M130-L227 VanDerWaalsContact SD-O 3.35Å; L133-L227 HydrophobicContact CB-CD1 4Å; L133-L227 HydrophobicContact CB-CD2 4.13Å; L133-L227 HydrophobicContact CD2-CD2 3.96Å; Y134-L227 HydrophobicContact CD2-CD1 4.44Å; L137-L227 HydrophobicContact CD1-CD2 4.09Å; T196-L227 WeakPolarHBondContact CA-O 3.47Å; T196-L227 VanDerWaalsContact CG2-O 3.24Å; T196-L227 WeakPolarHBondContact CG2-O 3.46Å; C197-L227 HydrophobicContact CB-CB 4.19Å; C197-L227 HydrophobicContact CB-CD1 4.26Å; C197-L227 PolarHBondContact N-O 3.41Å; C197-L227 PolarHBondContact O-N 2.79Å; L227-T237 HydrophobicContact CB-CG2 4.19Å; L227-T237 HydrophobicContact CD2-CG2 4.48Å; L227-L239 HydrophobicContact CD2-CB 4.23Å; L227-L239 HydrophobicContact CD2-CD1 3.43Å; L227-L239 VanDerWaalsContact CD2-CD1 3.43Å; L227-L239 HydrophobicContact CD2-CG 4.37Å |
| 228 | H | 97.1 | Very high | 96.3 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 38% | 0.384 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.8 | -179.5 | -168.9 | 79.8 | 0 | 0 | 0 | 110 | T196 L230 K238 | T196-H228 PolarHBondContact OG1-ND1 3.24Å; H228-L230 PolarHBondContact O-N 3.12Å; H228-K238 PolarHBondContact N-O 3.39Å; H228-K238 PolarHBondContact O-N 3.2Å |
| 229 | P | 96.7 | Very high | 96.4 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 21% | 0.208 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 136.4 | 173.5 | -24.2 | 34.6 | 0 | 0 | 0 | 110.6 | M130 S195 A231 | M130-P229 HydrophobicContact CB-CG 4.43Å; M130-P229 HydrophobicContact CE-CG 4.5Å; M130-P229 HydrophobicContact SD-CG 4.11Å; S195-P229 WeakPolarHBondContact O-CD 3.4Å; P229-A231 PolarHBondContact O-N 3.33Å |
| 230 | L | 94.8 | Very high | 96.4 | Very high | 58 Ų | 58 | 39.3 Ų | 39.3 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133.5 | -179.6 | -167.5 | 71.3 | 0 | 0 | 0 | 110 | V125 H228 G232 S233 K236 K238 | V125-L230 HydrophobicContact CG1-CD1 4.48Å; V125-L230 HydrophobicContact CG1-CD2 4.02Å; V125-L230 HydrophobicContact CG2-CD1 4.18Å; H228-L230 PolarHBondContact O-N 3.12Å; L230-G232 PolarHBondContact O-N 2.88Å; L230-S233 CarbonylContact O-C 3.57Å; L230-S233 PolarHBondContact O-N 3.4Å; L230-K236 HydrophobicContact CB-CB 3.87Å; L230-K236 HydrophobicContact CD2-CB 4.01Å; L230-K236 HydrophobicContact CD2-CD 3.91Å; L230-K236 PolarHBondContact N-O 2.93Å; L230-K238 HydrophobicContact CD1-CB 4.46Å |
| 231 | A | 90.3 | Very high | 96.4 | Very high | 96 Ų | 96 | 39.9 Ų | 39.9 | 79% | 0.793 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 125.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P229 S233 | P229-A231 PolarHBondContact O-N 3.33Å; A231-S233 VanDerWaalsContact C-N 3.26Å; A231-S233 PolarHBondContact O-N 3.11Å |
| 232 | G | 90.6 | Very high | 96.4 | Very high | 88 Ų | 88 | 39 Ų | 39 | 91% | 0.907 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -0 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L230 | L230-G232 PolarHBondContact O-N 2.88Š|
| 233 | S | 92.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 38.4 Ų | 38.4 | 19% | 0.189 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 85.3 | 178.7 | -163.3 | 0 | 0 | 0 | 0 | 112.1 | L230 A231 S235 K236 | L230-S233 CarbonylContact O-C 3.57Å; L230-S233 PolarHBondContact O-N 3.4Å; A231-S233 VanDerWaalsContact C-N 3.26Å; A231-S233 PolarHBondContact O-N 3.11Å; S233-S235 PolarHBondContact O-N 3.32Å; S233-S235 VanDerWaalsContact O-N 3.16Å; S233-S235 PolarHBondContact OG-OG 3.17Å; S233-K236 PolarHBondContact O-N 3.43Å; S233-K236 WeakPolarHBondContact OG-CG 3.29Å |
| 234 | P | 89.9 | Confident | 96.4 | Very high | 107 Ų | 107 | 38.5 Ų | 38.5 | 70% | 0.695 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | -18.6 | 179.6 | -22.4 | 33.8 | 0 | 0 | 0 | 114.5 | K236 | P234-K236 PolarHBondContact O-N 3.12Å |
| 235 | S | 94.6 | Very high | 96.3 | Very high | 70 Ų | 70 | 39.9 Ų | 39.9 | 49% | 0.49 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -3.9 | 173.3 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | D127 Q128 S233 | D127-S235 CarbonylContact C-O 3.55Å; Q128-S235 CarbonylContact C-O 3.39Å; Q128-S235 VanDerWaalsContact CA-O 3.28Å; Q128-S235 WeakPolarHBondContact CA-O 3.33Å; Q128-S235 PolarHBondContact N-O 3.18Å; Q128-S235 VanDerWaalsContact N-O 3.12Å; S233-S235 PolarHBondContact O-N 3.32Å; S233-S235 VanDerWaalsContact O-N 3.16Å; S233-S235 PolarHBondContact OG-OG 3.17Å |
| 236 | K | 97 | Very high | 96.2 | Very high | 71 Ų | 71 | 43.3 Ų | 43.3 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147.3 | 178.5 | -57 | -173.7 | 178.1 | -135.8 | 0 | 110.4 | V125 V126 D127 L230 S233 P234 | V125-K236 HydrophobicContact CG1-CB 4.32Å; V126-K236 CarbonylContact O-C 3.56Å; V126-K236 WeakPolarHBondContact O-CA 3.48Å; D127-K236 WeakPolarHBondContact OD1-CD 3.46Å; D127-K236 WeakPolarHBondContact OD1-CE 3.45Å; D127-K236 WeakPolarHBondContact OD1-CG 3.41Å; D127-K236 IonicContact OD1-NZ 2.83Å; D127-K236 PolarHBondContact OD1-NZ 2.84Å; D127-K236 IonicContact OD2-NZ 3.63Å; L230-K236 HydrophobicContact CB-CB 3.87Å; L230-K236 HydrophobicContact CD2-CB 4.01Å; L230-K236 HydrophobicContact CD2-CD 3.91Å; L230-K236 PolarHBondContact N-O 2.93Å; S233-K236 PolarHBondContact O-N 3.43Å; S233-K236 WeakPolarHBondContact OG-CG 3.29Å; P234-K236 PolarHBondContact O-N 3.12Å |
| 237 | T | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 127.6 | -179.5 | -55.4 | 0 | 0 | 0 | 0 | 110.2 | V125 V126 Q128 M130 L133 L227 | V125-T237 WeakPolarHBondContact CA-O 3.4Å; V126-T237 PolarHBondContact N-O 3.29Å; V126-T237 PolarHBondContact O-N 3.09Å; Q128-T237 PolarHBondContact O-N 3.38Å; Q128-T237 PolarHBondContact O-OG1 2.87Å; M130-T237 WeakPolarHBondContact CA-OG1 3.33Å; M130-T237 HydrophobicContact CB-CG2 4.13Å; M130-T237 HydrophobicContact CG-CG2 4.13Å; M130-T237 PolarHBondContact N-OG1 3.35Å; L133-T237 HydrophobicContact CD2-CG2 3.96Å; L227-T237 HydrophobicContact CB-CG2 4.19Å; L227-T237 HydrophobicContact CD2-CG2 4.48Å |
| 238 | K | 98.1 | Very high | 95.7 | Very high | 76 Ų | 76 | 45.4 Ų | 45.4 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.3 | 163.3 | -175.9 | 177.5 | 179.6 | -179.8 | 0 | 108.2 | E123 V124 H228 L230 | E123-K238 IonicContact OE1-NZ 3.83Å; E123-K238 PolarHBondContact OE1-NZ 2.97Å; V124-K238 WeakPolarHBondContact O-CA 3.11Å; H228-K238 PolarHBondContact N-O 3.39Å; H228-K238 PolarHBondContact O-N 3.2Å; L230-K238 HydrophobicContact CD1-CB 4.46Å |
| 239 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.1 | 169.1 | 166.1 | 71.8 | 0 | 0 | 0 | 108.7 | V124 L133 M225 V226 L227 F267 L271 | V124-L239 HydrophobicContact CG2-CB 3.72Å; V124-L239 HydrophobicContact CG2-CD2 3.84Å; V124-L239 HydrophobicContact CG2-CG 4.07Å; V124-L239 PolarHBondContact N-O 3.46Å; V124-L239 PolarHBondContact O-N 3.16Å; L133-L239 HydrophobicContact CD2-CB 4.49Å; M225-L239 HydrophobicContact CB-CD1 4.11Å; M225-L239 HydrophobicContact CG-CD1 4.4Å; V226-L239 WeakPolarHBondContact O-CA 3.43Å; L227-L239 HydrophobicContact CD2-CB 4.23Å; L227-L239 HydrophobicContact CD2-CD1 3.43Å; L227-L239 VanDerWaalsContact CD2-CD1 3.43Å; L227-L239 HydrophobicContact CD2-CG 4.37Å; L239-F267 HydrophobicContact CD2-CE1 3.79Å; L239-L271 HydrophobicContact CD2-CD2 3.89Å |
| 240 | T | 98.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.3 | 170 | -60.5 | 0 | 0 | 0 | 0 | 109.4 | L90 R121 L122 E123 M225 V226 | L90-T240 HydrophobicContact CD1-CG2 4.12Å; L90-T240 HydrophobicContact CD2-CG2 3.93Å; R121-T240 HydrophobicContact CG-CG2 3.98Å; L122-T240 CarbonylContact O-C 3.48Å; L122-T240 VanDerWaalsContact O-CA 3.31Å; L122-T240 WeakPolarHBondContact O-CA 3.46Å; E123-T240 HydrophobicContact CG-CG2 4.38Å; M225-T240 CarbonylContact C-O 3.59Å; M225-T240 WeakPolarHBondContact CA-O 3.47Å; V226-T240 PolarHBondContact N-O 2.77Å; V226-T240 PolarHBondContact O-N 3.41Å |
| 241 | W | 98.8 | Very high | 94.6 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 10% | 0.095 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 108.2 | -179.5 | 176.1 | 28.2 | 0 | 0 | 0 | 110.9 | R121 L122 C224 M225 L243 T263 Q264 F267 | R121-W241 CarbonylContact C-O 3.46Å; R121-W241 WeakPolarHBondContact CA-O 3.32Å; L122-W241 HydrophobicContact CB-CB 4.17Å; L122-W241 HydrophobicContact CD2-CB 4.44Å; L122-W241 HydrophobicContact CD2-CE3 3.92Å; L122-W241 PolarHBondContact N-O 3.2Å; L122-W241 PolarHBondContact O-N 2.83Å; C224-W241 CarbonylContact O-C 3.59Å; C224-W241 WeakPolarHBondContact O-CA 3.33Å; M225-W241 HydrophobicContact CE-CB 4.37Å; M225-W241 HydrophobicContact CE-CD2 3.46Å; M225-W241 VanDerWaalsContact CE-CD2 3.46Å; M225-W241 HydrophobicContact CE-CE3 3.91Å; M225-W241 HydrophobicContact CE-CG 3.67Å; M225-W241 HydrophobicContact CE-CH2 4.47Å; M225-W241 HydrophobicContact CE-CZ2 4.08Å; M225-W241 HydrophobicContact CE-CZ3 4.37Å; M225-W241 HydrophobicContact CG-CB 3.96Å; M225-W241 VanDerWaalsContact CG-CD1 3.47Å; M225-W241 HydrophobicContact CG-CG 3.73Å; W241-L243 HydrophobicContact CH2-CD2 4.1Å; W241-L243 HydrophobicContact CZ2-CB 4.4Å; W241-L243 HydrophobicContact CZ2-CD1 3.52Å; W241-L243 HydrophobicContact CZ2-CD2 3.84Å; W241-L243 HydrophobicContact CZ2-CG 4.12Å; W241-T263 HydrophobicContact CH2-CG2 4.48Å; W241-Q264 HydrophobicContact CD2-CG 4.49Å; W241-Q264 HydrophobicContact CE3-CB 4.32Å; W241-Q264 HydrophobicContact CE3-CG 3.84Å; W241-Q264 HydrophobicContact CH2-CG 4.33Å; W241-Q264 HydrophobicContact CZ3-CB 4.21Å; W241-Q264 HydrophobicContact CZ3-CG 3.75Å; W241-Q264 PolarHBondContact O-NE2 3.38Å; W241-F267 HydrophobicContact CE3-CB 4.5Å; W241-F267 AromaticContact CE3-CD1 3.81Å; W241-F267 HydrophobicContact CE3-CD1 3.81Å; W241-F267 HydrophobicContact CE3-CE1 4.29Å; W241-F267 HydrophobicContact CE3-CG 4.15Å; W241-F267 HydrophobicContact CH2-CB 4.47Å; W241-F267 HydrophobicContact CH2-CG 4.41Å; W241-F267 HydrophobicContact CZ3-CB 3.69Å; W241-F267 AromaticContact CZ3-CD1 3.78Å; W241-F267 HydrophobicContact CZ3-CD1 3.78Å; W241-F267 HydrophobicContact CZ3-CD2 4.27Å; W241-F267 AromaticContact CZ3-CG 3.63Å; W241-F267 HydrophobicContact CZ3-CG 3.63Å |
| 242 | L | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121.8 | 167.6 | -177.9 | 72.6 | 0 | 0 | 0 | 109.3 | A86 I89 L90 W96 V119 F120 T223 C224 | A86-L242 HydrophobicContact CB-CD2 3.87Å; A86-L242 WeakPolarHBondContact O-CD2 3.34Å; I89-L242 HydrophobicContact CB-CD2 3.86Å; I89-L242 HydrophobicContact CD1-CD2 4.04Å; I89-L242 HydrophobicContact CG2-CD1 3.82Å; I89-L242 HydrophobicContact CG2-CD2 3.85Å; L90-L242 HydrophobicContact CD1-CB 4.37Å; L90-L242 HydrophobicContact CD2-CB 4.02Å; L90-L242 HydrophobicContact CD2-CD1 4.26Å; L90-L242 HydrophobicContact CG-CB 4.18Å; L90-L242 HydrophobicContact CG-CD2 4.41Å; W96-L242 HydrophobicContact CH2-CD1 3.67Å; V119-L242 HydrophobicContact CB-CD1 4.06Å; V119-L242 HydrophobicContact CG2-CD1 3.93Å; F120-L242 CarbonylContact O-C 3.59Å; F120-L242 WeakPolarHBondContact O-CA 3.46Å; T223-L242 WeakPolarHBondContact CA-O 3.31Å; T223-L242 WeakPolarHBondContact CG2-O 3.31Å; C224-L242 PolarHBondContact N-O 3.43Å; C224-L242 PolarHBondContact O-N 2.72Å |
| 243 | L | 98.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.9 | 178.7 | -170.2 | 60.5 | 0 | 0 | 0 | 110.7 | V119 F120 T223 W241 I245 L260 Q264 | V119-L243 WeakPolarHBondContact CA-O 3.35Å; F120-L243 PolarHBondContact N-O 2.88Å; F120-L243 PolarHBondContact O-N 3.16Å; T223-L243 HydrophobicContact CG2-CD1 4.01Å; W241-L243 HydrophobicContact CH2-CD2 4.1Å; W241-L243 HydrophobicContact CZ2-CB 4.4Å; W241-L243 HydrophobicContact CZ2-CD1 3.52Å; W241-L243 HydrophobicContact CZ2-CD2 3.84Å; W241-L243 HydrophobicContact CZ2-CG 4.12Å; L243-I245 HydrophobicContact CD1-CD1 3.57Å; L243-I245 HydrophobicContact CD1-CG1 3.8Å; L243-I245 HydrophobicContact CD2-CD1 3.96Å; L243-I245 HydrophobicContact CG-CD1 3.84Å; L243-I245 HydrophobicContact CG-CG1 4.04Å; L243-L260 HydrophobicContact CD2-CD2 4.36Å; L243-Q264 HydrophobicContact CD2-CG 4.09Å |
| 244 | S | 98.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | trans | -128.8 | 116.7 | 171.4 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | V116 H220 G221 P222 T223 | V116-S244 VanDerWaalsContact CG1-OG 3.26Å; V116-S244 WeakPolarHBondContact CG1-OG 3.39Å; H220-S244 WeakPolarHBondContact CA-O 3.37Å; G221-S244 WeakPolarHBondContact CA-OG 3.39Å; G221-S244 PolarHBondContact N-O 2.98Å; P222-S244 WeakPolarHBondContact O-CB 3.32Å; T223-S244 PolarHBondContact OG1-N 3.33Å; T223-S244 PolarHBondContact OG1-O 2.88Å | ||
| 245 | I | 96.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 16% | 0.159 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133 | -177.8 | -66.2 | 175.7 | 0 | 0 | 0 | 109.4 | F184 E219 H220 L243 L247 L260 | F184-I245 HydrophobicContact CE1-CG2 3.93Å; F184-I245 HydrophobicContact CZ-CD1 4.45Å; F184-I245 HydrophobicContact CZ-CG2 4.28Å; E219-I245 CarbonylContact O-C 3.5Å; E219-I245 WeakPolarHBondContact O-CA 3.42Å; H220-I245 WeakPolarHBondContact ND1-CG1 3.47Å; L243-I245 HydrophobicContact CD1-CD1 3.57Å; L243-I245 HydrophobicContact CD1-CG1 3.8Å; L243-I245 HydrophobicContact CD2-CD1 3.96Å; L243-I245 HydrophobicContact CG-CD1 3.84Å; L243-I245 HydrophobicContact CG-CG1 4.04Å; I245-L247 HydrophobicContact CG2-CD2 3.62Å; I245-L247 HydrophobicContact CG2-CG 3.86Å; I245-L260 HydrophobicContact CB-CD2 4.31Å; I245-L260 HydrophobicContact CD1-CD2 3.96Å |
| 246 | D | 95.5 | Very high | 94.4 | Very high | 90 Ų | 90 | 55 Ų | 55 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 107.1 | 154.8 | -173.6 | -1.8 | 0 | 0 | 0 | 109 | A218 E219 K248 | A218-D246 WeakPolarHBondContact CA-O 3.29Å; A218-D246 WeakPolarHBondContact CB-O 3.26Å; E219-D246 PolarHBondContact N-O 2.88Å; E219-D246 PolarHBondContact O-N 2.89Å; D246-K248 PolarHBondContact O-N 2.88Å; D246-K248 WeakPolarHBondContact OD1-CA 3.44Å; D246-K248 PolarHBondContact OD1-N 3.36Å |
| 247 | L | 93.6 | Very high | 94.2 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | trans | -70.6 | -12.6 | 178.3 | -70.8 | 177.4 | 0 | 0 | 0 | 112.5 | R182 F184 I245 L251 I256 L260 | R182-L247 PolarHBondContact NE-O 2.89Å; R182-L247 PolarHBondContact NH2-O 3.24Å; F184-L247 HydrophobicContact CZ-CD2 4.47Å; I245-L247 HydrophobicContact CG2-CD2 3.62Å; I245-L247 HydrophobicContact CG2-CG 3.86Å; L247-L251 HydrophobicContact CD1-CD1 4.36Å; L247-I256 HydrophobicContact CD1-CG1 4.35Å; L247-I256 HydrophobicContact CD1-CG2 4.08Å; L247-L260 HydrophobicContact CD1-CD2 4.44Å | ||
| 248 | K | 92 | Very high | 93.9 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 27% | 0.265 | 31% | 0.305 | S | S | . | . | trans | 51.6 | 176.8 | -170.4 | -59.9 | -167.6 | -173 | 164.5 | 0 | 113.6 | R182 I216 R217 E219 D246 | R182-K248 PolarHBondContact NH2-O 2.93Å; I216-K248 HydrophobicContact CG2-CB 4.01Å; R217-K248 VanDerWaalsContact O-CD 3.27Å; R217-K248 WeakPolarHBondContact O-CD 3.44Å; R217-K248 WeakPolarHBondContact O-CE 3.36Å; R217-K248 PolarHBondContact O-NZ 3.36Å; E219-K248 VanDerWaalsContact CD-CE 3.48Å; E219-K248 WeakPolarHBondContact OE1-CE 3.49Å; E219-K248 IonicContact OE1-NZ 2.68Å; E219-K248 PolarHBondContact OE1-NZ 3.45Å; D246-K248 PolarHBondContact O-N 2.88Å; D246-K248 WeakPolarHBondContact OD1-CA 3.44Å; D246-K248 PolarHBondContact OD1-N 3.36Å | ||
| 249 | G | 88.8 | Confident | 93.6 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 52% | 0.515 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 78.7 | -168.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L251 | G249-L251 PolarHBondContact O-N 3.12Š|
| 250 | W | 88.8 | Confident | 93.3 | Very high | 262 Ų | 262 | 58.1 Ų | 58.1 | 99% | 0.992 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -100.4 | 66.8 | -170.7 | -73.3 | 64.2 | 0 | 0 | 0 | 111.3 | ||
| 251 | L | 89.1 | Confident | 93.2 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | trans | -108.2 | 133.7 | 177.7 | -68.2 | 175.8 | 0 | 0 | 0 | 111.6 | V179 R182 L247 G249 K253 I256 | V179-L251 HydrophobicContact CG1-CD1 4.18Å; V179-L251 HydrophobicContact CG2-CD1 4.19Å; V179-L251 HydrophobicContact CG2-CD2 4.48Å; R182-L251 VanDerWaalsContact NH2-CD1 3.27Å; L247-L251 HydrophobicContact CD1-CD1 4.36Å; G249-L251 PolarHBondContact O-N 3.12Å; L251-K253 PolarHBondContact O-N 3.49Å; L251-I256 HydrophobicContact CB-CD1 3.92Å; L251-I256 HydrophobicContact CB-CG1 3.76Å; L251-I256 HydrophobicContact CD1-CG1 4.31Å | ||
| 252 | P | 91.2 | Very high | 93 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | trans | -57.9 | 136.4 | 169.9 | -24.4 | 33.2 | 0 | 0 | 0 | 112.1 | S254 I255 I256 | P252-S254 PolarHBondContact O-N 3.48Å; P252-S254 VanDerWaalsContact O-N 3.15Å; P252-I255 HydrophobicContact CB-CD1 4.27Å; P252-I255 HydrophobicContact CB-CG1 4.22Å; P252-I255 HydrophobicContact CG-CD1 3.92Å; P252-I255 HydrophobicContact CG-CG1 4.42Å; P252-I255 PolarHBondContact O-N 3.37Å; P252-I256 PolarHBondContact O-N 3.38Å; P252-I256 VanDerWaalsContact O-N 3.12Å | ||
| 253 | K | 90.6 | Very high | 92.8 | Very high | 174 Ų | 174 | 62.3 Ų | 62.3 | 76% | 0.757 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.5 | -33.5 | -179.5 | -68.7 | -176.9 | 179.5 | 178.8 | 0 | 113.5 | L251 I256 N257 | L251-K253 PolarHBondContact O-N 3.49Å; K253-I256 PolarHBondContact O-N 2.94Å; K253-N257 WeakPolarHBondContact O-CB 3.01Å; K253-N257 PolarHBondContact O-N 3.44Å; K253-N257 PolarHBondContact O-ND2 2.91Å; K253-N257 PolarHBondContact O-OD1 2.76Å |
| 254 | S | 89.9 | Confident | 92.8 | Very high | 85 Ų | 85 | 62.2 Ų | 62.2 | 59% | 0.594 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.6 | -44.9 | 176.3 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | P252 N257 Q258 | P252-S254 PolarHBondContact O-N 3.48Å; P252-S254 VanDerWaalsContact O-N 3.15Å; S254-N257 PolarHBondContact O-N 2.76Å; S254-Q258 PolarHBondContact O-N 2.9Å |
| 255 | I | 89.9 | Confident | 92.7 | Very high | 53 Ų | 53 | 62.1 Ų | 62.1 | 27% | 0.272 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 178.1 | -61.8 | -178 | 0 | 0 | 0 | 109.9 | P252 N257 Q258 V259 | P252-I255 HydrophobicContact CB-CD1 4.27Å; P252-I255 HydrophobicContact CB-CG1 4.22Å; P252-I255 HydrophobicContact CG-CD1 3.92Å; P252-I255 HydrophobicContact CG-CG1 4.42Å; P252-I255 PolarHBondContact O-N 3.37Å; I255-N257 VanDerWaalsContact C-N 3.29Å; I255-N257 PolarHBondContact O-N 2.87Å; I255-Q258 PolarHBondContact O-N 2.83Å; I255-V259 HydrophobicContact CG2-CG2 4.2Å; I255-V259 WeakPolarHBondContact O-CB 3.43Å; I255-V259 VanDerWaalsContact O-CG2 3.29Å; I255-V259 WeakPolarHBondContact O-CG2 3.35Å; I255-V259 PolarHBondContact O-N 3.25Å |
| 256 | I | 91.8 | Very high | 92.7 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 18% | 0.179 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -54.5 | -49 | 176.7 | -63.2 | 173 | 0 | 0 | 0 | 110.3 | L247 L251 P252 K253 Q258 V259 L260 | L247-I256 HydrophobicContact CD1-CG1 4.35Å; L247-I256 HydrophobicContact CD1-CG2 4.08Å; L251-I256 HydrophobicContact CB-CD1 3.92Å; L251-I256 HydrophobicContact CB-CG1 3.76Å; L251-I256 HydrophobicContact CD1-CG1 4.31Å; P252-I256 PolarHBondContact O-N 3.38Å; P252-I256 VanDerWaalsContact O-N 3.12Å; K253-I256 PolarHBondContact O-N 2.94Å; I256-Q258 PolarHBondContact O-N 3.21Å; I256-V259 PolarHBondContact O-N 3.42Å; I256-L260 HydrophobicContact CG2-CD1 3.74Å; I256-L260 HydrophobicContact CG2-CG 4.22Å; I256-L260 WeakPolarHBondContact O-CB 3.15Å; I256-L260 VanDerWaalsContact O-CG 3.31Å; I256-L260 WeakPolarHBondContact O-CG 3.47Å; I256-L260 PolarHBondContact O-N 2.76Å |
| 257 | N | 92.7 | Very high | 92.8 | Very high | 42 Ų | 42 | 58.5 Ų | 58.5 | 23% | 0.225 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | -177.2 | -67.9 | -18.4 | 0 | 0 | 0 | 112.6 | K118 F120 K253 S254 I255 S261 | K118-N257 WeakPolarHBondContact CD-OD1 3.12Å; K118-N257 PolarHBondContact NZ-ND2 3.04Å; F120-N257 HydrophobicContact CZ-CB 3.99Å; K253-N257 WeakPolarHBondContact O-CB 3.01Å; K253-N257 PolarHBondContact O-N 3.44Å; K253-N257 PolarHBondContact O-ND2 2.91Å; K253-N257 PolarHBondContact O-OD1 2.76Å; S254-N257 PolarHBondContact O-N 2.76Å; I255-N257 VanDerWaalsContact C-N 3.29Å; I255-N257 PolarHBondContact O-N 2.87Å; N257-S261 WeakPolarHBondContact O-CB 3.35Å; N257-S261 PolarHBondContact O-N 3.46Å |
| 258 | Q | 91.4 | Very high | 93 | Very high | 144 Ų | 144 | 58 Ų | 58 | 67% | 0.673 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 178.4 | -176.6 | 177.9 | -1.3 | 0 | 0 | 111.1 | S254 I255 I256 S261 Q262 | S254-Q258 PolarHBondContact O-N 2.9Å; I255-Q258 PolarHBondContact O-N 2.83Å; I256-Q258 PolarHBondContact O-N 3.21Å; Q258-S261 PolarHBondContact O-N 3.46Å; Q258-Q262 WeakPolarHBondContact O-CB 3.45Å; Q258-Q262 PolarHBondContact O-N 2.88Å |
| 259 | V | 92 | Very high | 93.3 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -50.8 | 179.2 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | A174 A175 V179 I255 I256 S261 Q262 T263 | A174-V259 HydrophobicContact CB-CG1 4.28Å; A175-V259 HydrophobicContact CB-CG2 3.87Å; V179-V259 HydrophobicContact CG2-CG2 4.25Å; I255-V259 HydrophobicContact CG2-CG2 4.2Å; I255-V259 WeakPolarHBondContact O-CB 3.43Å; I255-V259 VanDerWaalsContact O-CG2 3.29Å; I255-V259 WeakPolarHBondContact O-CG2 3.35Å; I255-V259 PolarHBondContact O-N 3.25Å; I256-V259 PolarHBondContact O-N 3.42Å; V259-S261 VanDerWaalsContact C-N 3.33Å; V259-S261 PolarHBondContact O-N 3.46Å; V259-Q262 PolarHBondContact O-N 3.47Å; V259-T263 WeakPolarHBondContact O-CB 3.15Å; V259-T263 PolarHBondContact O-N 3.46Å; V259-T263 PolarHBondContact O-OG1 2.69Å |
| 260 | L | 93.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | -178.9 | -67.4 | -179.9 | 0 | 0 | 0 | 112.6 | F120 L243 I245 L247 I256 Q264 | F120-L260 HydrophobicContact CD2-CB 3.99Å; F120-L260 HydrophobicContact CD2-CD1 4.08Å; F120-L260 HydrophobicContact CE2-CB 3.91Å; F120-L260 HydrophobicContact CE2-CD1 3.74Å; F120-L260 HydrophobicContact CE2-CG 4.49Å; F120-L260 HydrophobicContact CG-CB 4.45Å; F120-L260 HydrophobicContact CZ-CB 4.27Å; L243-L260 HydrophobicContact CD2-CD2 4.36Å; I245-L260 HydrophobicContact CB-CD2 4.31Å; I245-L260 HydrophobicContact CD1-CD2 3.96Å; L247-L260 HydrophobicContact CD1-CD2 4.44Å; I256-L260 HydrophobicContact CG2-CD1 3.74Å; I256-L260 HydrophobicContact CG2-CG 4.22Å; I256-L260 WeakPolarHBondContact O-CB 3.15Å; I256-L260 VanDerWaalsContact O-CG 3.31Å; I256-L260 WeakPolarHBondContact O-CG 3.47Å; I256-L260 PolarHBondContact O-N 2.76Å; L260-Q264 PolarHBondContact O-N 3.41Å |
| 261 | S | 95.1 | Very high | 94.2 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 174.4 | -171 | 0 | 0 | 0 | 0 | 111.4 | T100 V108 N257 Q258 V259 Q264 V265 | T100-S261 PolarHBondContact OG1-OG 2.83Å; V108-S261 WeakPolarHBondContact CG1-OG 3.43Å; N257-S261 WeakPolarHBondContact O-CB 3.35Å; N257-S261 PolarHBondContact O-N 3.46Å; Q258-S261 PolarHBondContact O-N 3.46Å; V259-S261 VanDerWaalsContact C-N 3.33Å; V259-S261 PolarHBondContact O-N 3.46Å; S261-Q264 PolarHBondContact O-N 2.67Å; S261-V265 PolarHBondContact O-N 2.66Å |
| 262 | Q | 94.4 | Very high | 94.5 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 42% | 0.416 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 179.5 | -171.8 | 60.7 | 46.5 | 0 | 0 | 111.9 | Q258 V259 Q264 V265 D266 | Q258-Q262 WeakPolarHBondContact O-CB 3.45Å; Q258-Q262 PolarHBondContact O-N 2.88Å; V259-Q262 PolarHBondContact O-N 3.47Å; Q262-Q264 PolarHBondContact O-N 3.48Å; Q262-V265 PolarHBondContact O-N 3.2Å; Q262-V265 VanDerWaalsContact O-N 3.09Å; Q262-D266 PolarHBondContact NE2-OD1 2.68Å; Q262-D266 WeakPolarHBondContact O-CB 3.41Å; Q262-D266 VanDerWaalsContact O-CG 3.31Å; Q262-D266 PolarHBondContact O-N 3.22Å |
| 263 | T | 95 | Very high | 94.8 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.3 | -38.5 | 175.3 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | W241 V259 F267 | W241-T263 HydrophobicContact CH2-CG2 4.48Å; V259-T263 WeakPolarHBondContact O-CB 3.15Å; V259-T263 PolarHBondContact O-N 3.46Å; V259-T263 PolarHBondContact O-OG1 2.69Å; T263-F267 WeakPolarHBondContact O-CB 3.49Å; T263-F267 PolarHBondContact O-N 2.95Å |
| 264 | Q | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.5 | -41.8 | 177.5 | -69.3 | -161.6 | -52.9 | 0 | 0 | 113.1 | V108 L122 W241 L243 L260 S261 Q262 A268 | V108-Q264 HydrophobicContact CG2-CB 4.11Å; L122-Q264 HydrophobicContact CB-CB 4.03Å; L122-Q264 HydrophobicContact CB-CG 4.31Å; L122-Q264 HydrophobicContact CD1-CB 4.19Å; L122-Q264 HydrophobicContact CD2-CB 4.23Å; L122-Q264 WeakPolarHBondContact CD2-O 3.22Å; L122-Q264 HydrophobicContact CG-CB 4.36Å; W241-Q264 HydrophobicContact CD2-CG 4.49Å; W241-Q264 HydrophobicContact CE3-CB 4.32Å; W241-Q264 HydrophobicContact CE3-CG 3.84Å; W241-Q264 HydrophobicContact CH2-CG 4.33Å; W241-Q264 HydrophobicContact CZ3-CB 4.21Å; W241-Q264 HydrophobicContact CZ3-CG 3.75Å; W241-Q264 PolarHBondContact O-NE2 3.38Å; L243-Q264 HydrophobicContact CD2-CG 4.09Å; L260-Q264 PolarHBondContact O-N 3.41Å; S261-Q264 PolarHBondContact O-N 2.67Å; Q262-Q264 PolarHBondContact O-N 3.48Å; Q264-A268 PolarHBondContact O-N 3.27Å; Q264-A268 VanDerWaalsContact O-N 3.17Å |
| 265 | V | 97.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -48.1 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | Q102 V108 S261 Q262 F267 A268 N269 | Q102-V265 HydrophobicContact CG-CG1 4.01Å; Q102-V265 HydrophobicContact CG-CG2 4.41Å; V108-V265 HydrophobicContact CG2-CG2 3.84Å; S261-V265 PolarHBondContact O-N 2.66Å; Q262-V265 PolarHBondContact O-N 3.2Å; Q262-V265 VanDerWaalsContact O-N 3.09Å; V265-F267 VanDerWaalsContact C-N 3.34Å; V265-F267 PolarHBondContact O-N 3.09Å; V265-A268 WeakPolarHBondContact O-CB 3.42Å; V265-A268 PolarHBondContact O-N 2.93Å; V265-N269 PolarHBondContact O-N 3.09Å; V265-N269 VanDerWaalsContact O-N 3.12Å; V265-N269 PolarHBondContact O-ND2 3.44Å |
| 266 | D | 96.6 | Very high | 95.3 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 22% | 0.219 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -46.5 | 179.3 | -70.1 | -16.6 | 0 | 0 | 0 | 110.7 | N150 Q262 A268 N269 H270 | N150-D266 WeakPolarHBondContact ND2-CB 3.5Å; Q262-D266 PolarHBondContact NE2-OD1 2.68Å; Q262-D266 WeakPolarHBondContact O-CB 3.41Å; Q262-D266 VanDerWaalsContact O-CG 3.31Å; Q262-D266 PolarHBondContact O-N 3.22Å; D266-A268 VanDerWaalsContact C-N 3.29Å; D266-A268 PolarHBondContact O-N 3.01Å; D266-N269 PolarHBondContact O-N 3.02Å; D266-N269 VanDerWaalsContact O-N 3.11Å; D266-H270 VanDerWaalsContact C-ND1 3.33Å; D266-H270 PolarHBondContact O-N 3.06Å; D266-H270 PolarHBondContact O-ND1 3.38Å |
| 267 | F | 97.9 | Very high | 95 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.4 | -46.5 | 175.9 | 170.1 | -91 | 0 | 0 | 0 | 111.9 | L122 L137 M144 W147 M225 L239 W241 T263 V265 N269 H270 L271 | L122-F267 HydrophobicContact CD2-CD1 4.23Å; L137-F267 HydrophobicContact CD2-CE2 4.01Å; L137-F267 HydrophobicContact CD2-CZ 3.6Å; M144-F267 HydrophobicContact CE-CE2 4.41Å; M144-F267 HydrophobicContact SD-CE2 4.39Å; W147-F267 HydrophobicContact CH2-CE2 4.01Å; M225-F267 HydrophobicContact CE-CE1 3.85Å; M225-F267 HydrophobicContact CE-CE2 3.91Å; M225-F267 HydrophobicContact CE-CZ 3.46Å; M225-F267 VanDerWaalsContact CE-CZ 3.46Å; M225-F267 HydrophobicContact SD-CZ 4.28Å; L239-F267 HydrophobicContact CD2-CE1 3.79Å; W241-F267 HydrophobicContact CE3-CB 4.5Å; W241-F267 AromaticContact CE3-CD1 3.81Å; W241-F267 HydrophobicContact CE3-CD1 3.81Å; W241-F267 HydrophobicContact CE3-CE1 4.29Å; W241-F267 HydrophobicContact CE3-CG 4.15Å; W241-F267 HydrophobicContact CH2-CB 4.47Å; W241-F267 HydrophobicContact CH2-CG 4.41Å; W241-F267 HydrophobicContact CZ3-CB 3.69Å; W241-F267 AromaticContact CZ3-CD1 3.78Å; W241-F267 HydrophobicContact CZ3-CD1 3.78Å; W241-F267 HydrophobicContact CZ3-CD2 4.27Å; W241-F267 AromaticContact CZ3-CG 3.63Å; W241-F267 HydrophobicContact CZ3-CG 3.63Å; T263-F267 WeakPolarHBondContact O-CB 3.49Å; T263-F267 PolarHBondContact O-N 2.95Å; V265-F267 VanDerWaalsContact C-N 3.34Å; V265-F267 PolarHBondContact O-N 3.09Å; F267-N269 VanDerWaalsContact C-N 3.32Å; F267-N269 PolarHBondContact O-N 3.45Å; F267-H270 PolarHBondContact O-N 2.92Å; F267-L271 HydrophobicContact CE1-CD2 3.95Å; F267-L271 HydrophobicContact CZ-CD2 4.08Å; F267-L271 VanDerWaalsContact O-CB 3.3Å; F267-L271 WeakPolarHBondContact O-CB 3.2Å; F267-L271 PolarHBondContact O-N 2.99Å |
| 268 | A | 98.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L122 V124 Q264 V265 D266 R272 | L122-A268 HydrophobicContact CD2-CB 4.28Å; V124-A268 HydrophobicContact CG1-CB 3.88Å; Q264-A268 PolarHBondContact O-N 3.27Å; Q264-A268 VanDerWaalsContact O-N 3.17Å; V265-A268 WeakPolarHBondContact O-CB 3.42Å; V265-A268 PolarHBondContact O-N 2.93Å; D266-A268 VanDerWaalsContact C-N 3.29Å; D266-A268 PolarHBondContact O-N 3.01Å; A268-R272 WeakPolarHBondContact O-CG 3.45Å; A268-R272 PolarHBondContact O-N 3.03Å; A268-R272 VanDerWaalsContact O-N 3.08Å |
| 269 | N | 97.4 | Very high | 92.8 | Very high | 53 Ų | 53 | 39.5 Ų | 39.5 | 28% | 0.283 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68 | -40 | 178.7 | -68.2 | -26.7 | 0 | 0 | 0 | 112.6 | V265 D266 F267 R273 | V265-N269 PolarHBondContact O-N 3.09Å; V265-N269 VanDerWaalsContact O-N 3.12Å; V265-N269 PolarHBondContact O-ND2 3.44Å; D266-N269 PolarHBondContact O-N 3.02Å; D266-N269 VanDerWaalsContact O-N 3.11Å; F267-N269 VanDerWaalsContact C-N 3.32Å; F267-N269 PolarHBondContact O-N 3.45Å; N269-R273 WeakPolarHBondContact O-CG 3.4Å; N269-R273 PolarHBondContact O-N 3.23Å; N269-R273 PolarHBondContact O-NE 2.9Å |
| 270 | H | 97.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.111 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.3 | -43.1 | 175.5 | -67.7 | 108.7 | 0 | 0 | 0 | 111.5 | W147 P149 D266 F267 R272 R273 R274 | W147-H270 HydrophobicContact CE3-CB 3.89Å; W147-H270 HydrophobicContact CZ3-CB 4.02Å; W147-H270 PolarHBondContact O-CD2 3.33Å; P149-H270 WeakPolarHBondContact CD-CD2 3.28Å; P149-H270 WeakPolarHBondContact CD-NE2 3.21Å; P149-H270 WeakPolarHBondContact CG-NE2 3.42Å; D266-H270 VanDerWaalsContact C-ND1 3.33Å; D266-H270 PolarHBondContact O-N 3.06Å; D266-H270 PolarHBondContact O-ND1 3.38Å; F267-H270 PolarHBondContact O-N 2.92Å; H270-R272 PolarHBondContact O-N 3.27Å; H270-R273 PolarHBondContact CD2-NH2 2.75Å; H270-R273 PolarHBondContact NE2-NH2 3.03Å; H270-R273 PolarHBondContact O-N 3.04Å; H270-R274 WeakPolarHBondContact O-CB 3.31Å; H270-R274 PolarHBondContact O-N 2.79Å |
| 271 | L | 97.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 178.4 | 179.2 | 60.4 | 0 | 0 | 0 | 111.9 | L133 L137 W147 L239 F267 R274 L275 | L133-L271 HydrophobicContact CD2-CD2 4.42Å; L137-L271 HydrophobicContact CD1-CD2 4.28Å; L137-L271 HydrophobicContact CD2-CD1 3.99Å; L137-L271 HydrophobicContact CD2-CD2 4.4Å; L137-L271 HydrophobicContact CG-CD1 4.41Å; W147-L271 HydrophobicContact CH2-CB 4.31Å; W147-L271 HydrophobicContact CH2-CD1 3.97Å; W147-L271 HydrophobicContact CZ2-CD1 4.45Å; W147-L271 HydrophobicContact CZ3-CB 4.07Å; W147-L271 HydrophobicContact CZ3-CD1 4.43Å; L239-L271 HydrophobicContact CD2-CD2 3.89Å; F267-L271 HydrophobicContact CE1-CD2 3.95Å; F267-L271 HydrophobicContact CZ-CD2 4.08Å; F267-L271 VanDerWaalsContact O-CB 3.3Å; F267-L271 WeakPolarHBondContact O-CB 3.2Å; F267-L271 PolarHBondContact O-N 2.99Å; L271-R274 PolarHBondContact O-N 3.38Å; L271-L275 HydrophobicContact CD1-CD1 3.88Å; L271-L275 HydrophobicContact CD1-CG 4.15Å; L271-L275 HydrophobicContact CG-CD1 3.93Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.17Å; L271-L275 PolarHBondContact O-N 3.08Å |
| 272 | R | 97 | Very high | 86.9 | Confident | 39 Ų | 39 | 51.3 Ų | 51.3 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -51.4 | 176 | -75 | -174.2 | -174.2 | 98 | 0.6 | 112.2 | N104 D106 V125 V126 A268 H270 R274 L275 E276 | N104-R272 PolarHBondContact ND2-NH1 3.15Å; D106-R272 VanDerWaalsContact CG-NH2 3.25Å; D106-R272 IonicContact OD1-CZ 2.68Å; D106-R272 IonicContact OD1-NH1 3.85Å; D106-R272 IonicContact OD1-NH2 3Å; D106-R272 PolarHBondContact OD1-NH2 2.87Å; D106-R272 IonicContact OD2-CZ 3.45Å; D106-R272 VanDerWaalsContact OD2-CZ 3.3Å; D106-R272 IonicContact OD2-NH1 2.89Å; D106-R272 PolarHBondContact OD2-NH1 2.76Å; D106-R272 IonicContact OD2-NH2 3.47Å; D106-R272 PolarHBondContact OD2-NH2 2.85Å; D106-R272 VanDerWaalsContact OD2-NH2 3.09Å; V125-R272 PolarHBondContact O-NH2 3.39Å; V126-R272 HydrophobicContact CG1-CG 4.45Å; A268-R272 WeakPolarHBondContact O-CG 3.45Å; A268-R272 PolarHBondContact O-N 3.03Å; A268-R272 VanDerWaalsContact O-N 3.08Å; H270-R272 PolarHBondContact O-N 3.27Å; R272-R274 VanDerWaalsContact C-N 3.29Å; R272-R274 PolarHBondContact O-N 3.2Å; R272-L275 PolarHBondContact O-N 3.29Å; R272-L275 VanDerWaalsContact O-N 3.14Å; R272-E276 WeakPolarHBondContact O-CG 3.17Å; R272-E276 PolarHBondContact O-N 3.39Å |
| 273 | R | 96.4 | Very high | 84.8 | Confident | 141 Ų | 141 | 49.6 Ų | 49.6 | 53% | 0.532 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 178.5 | -74.4 | -174 | -73.1 | 167.7 | -8.1 | 112 | N269 H270 L275 E276 S277 | N269-R273 WeakPolarHBondContact O-CG 3.4Å; N269-R273 PolarHBondContact O-N 3.23Å; N269-R273 PolarHBondContact O-NE 2.9Å; H270-R273 PolarHBondContact CD2-NH2 2.75Å; H270-R273 PolarHBondContact NE2-NH2 3.03Å; H270-R273 PolarHBondContact O-N 3.04Å; R273-L275 PolarHBondContact O-N 3.25Å; R273-E276 PolarHBondContact O-N 2.73Å; R273-S277 WeakPolarHBondContact O-CB 3.35Å; R273-S277 PolarHBondContact O-N 3.24Å; R273-S277 PolarHBondContact O-OG 2.94Å |
| 274 | R | 96.1 | Very high | 82 | Confident | 28 Ų | 28 | 59 Ų | 59 | 11% | 0.106 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 176.2 | 174.3 | 55.8 | 172.9 | -157 | -11.2 | 111.2 | E136 E146 W147 H270 L271 R272 E276 S277 R278 | E136-R274 HydrophobicContact CG-CG 4.48Å; E136-R274 IonicContact OE1-CZ 3.89Å; E136-R274 IonicContact OE1-NE 3.67Å; E136-R274 PolarHBondContact OE1-NE 3.46Å; E136-R274 IonicContact OE1-NH2 3.73Å; E136-R274 IonicContact OE2-CZ 3.92Å; E136-R274 IonicContact OE2-NE 2.77Å; E136-R274 PolarHBondContact OE2-NE 2.86Å; E136-R274 IonicContact OE2-NH2 3.49Å; E136-R274 PolarHBondContact OE2-NH2 2.75Å; E136-R274 VanDerWaalsContact OE2-NH2 3.14Å; E146-R274 IonicContact OE2-NH1 3.5Å; E146-R274 IonicContact OE2-NH2 2.76Å; W147-R274 HydrophobicContact CB-CB 4.14Å; W147-R274 HydrophobicContact CB-CG 4.23Å; W147-R274 HydrophobicContact CD2-CB 3.87Å; W147-R274 HydrophobicContact CD2-CG 3.86Å; W147-R274 HydrophobicContact CE3-CB 4.05Å; W147-R274 HydrophobicContact CG-CB 3.92Å; W147-R274 HydrophobicContact CG-CG 3.71Å; H270-R274 WeakPolarHBondContact O-CB 3.31Å; H270-R274 PolarHBondContact O-N 2.79Å; L271-R274 PolarHBondContact O-N 3.38Å; R272-R274 VanDerWaalsContact C-N 3.29Å; R272-R274 PolarHBondContact O-N 3.2Å; R274-E276 VanDerWaalsContact C-N 3.34Å; R274-E276 PolarHBondContact O-N 3.33Å; R274-S277 PolarHBondContact O-N 3.04Å; R274-S277 PolarHBondContact O-OG 3.31Å; R274-R278 VanDerWaalsContact CZ-CD 3.45Å; R274-R278 PolarHBondContact O-N 2.9Å |
| 275 | L | 94.3 | Very high | 79 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.3 | -28.9 | -177.1 | -63.7 | 165 | 0 | 0 | 0 | 113.1 | V126 Q128 R132 L133 E136 L271 R272 R273 | V126-L275 HydrophobicContact CG1-CD1 3.74Å; Q128-L275 HydrophobicContact CB-CD1 4.23Å; Q128-L275 HydrophobicContact CG-CB 3.82Å; Q128-L275 HydrophobicContact CG-CD1 4.15Å; R132-L275 HydrophobicContact CB-CD2 4.16Å; L133-L275 HydrophobicContact CD1-CD1 3.82Å; L133-L275 HydrophobicContact CG-CD1 3.93Å; E136-L275 HydrophobicContact CG-CD2 3.98Å; L271-L275 HydrophobicContact CD1-CD1 3.88Å; L271-L275 HydrophobicContact CD1-CG 4.15Å; L271-L275 HydrophobicContact CG-CD1 3.93Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.17Å; L271-L275 PolarHBondContact O-N 3.08Å; R272-L275 PolarHBondContact O-N 3.29Å; R272-L275 VanDerWaalsContact O-N 3.14Å; R273-L275 PolarHBondContact O-N 3.25Å |
| 276 | E | 90.7 | Very high | 78.1 | Confident | 137 Ų | 137 | 71.3 Ų | 71.3 | 64% | 0.64 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.1 | -39.7 | 171.9 | -72.3 | 165.4 | -169.2 | 0 | 0 | 112 | R272 R273 R274 R278 | R272-E276 WeakPolarHBondContact O-CG 3.17Å; R272-E276 PolarHBondContact O-N 3.39Å; R273-E276 PolarHBondContact O-N 2.73Å; R274-E276 VanDerWaalsContact C-N 3.34Å; R274-E276 PolarHBondContact O-N 3.33Å; E276-R278 PolarHBondContact O-N 2.93Å |
| 277 | S | 84.9 | Confident | 77.1 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 54% | 0.538 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.8 | -19 | -178.5 | 69.7 | 0 | 0 | 0 | 0 | 114.2 | R273 R274 | R273-S277 WeakPolarHBondContact O-CB 3.35Å; R273-S277 PolarHBondContact O-N 3.24Å; R273-S277 PolarHBondContact O-OG 2.94Å; R274-S277 PolarHBondContact O-N 3.04Å; R274-S277 PolarHBondContact O-OG 3.31Å |
| 278 | R | 74.9 | Confident | 75.9 | Confident | 49 Ų | 49 | 76.7 Ų | 76.7 | 19% | 0.185 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -120.5 | 92.5 | 179.4 | -71.5 | 173.6 | 113.8 | -140.8 | -4 | 109 | R132 E136 R140 R274 E276 | R132-R278 PolarHBondContact NH2-O 3.11Å; E136-R278 IonicContact OE1-CZ 2.77Å; E136-R278 IonicContact OE1-NH1 2.79Å; E136-R278 PolarHBondContact OE1-NH1 3.15Å; R140-R278 VanDerWaalsContact NH2-NH2 3.2Å; R274-R278 VanDerWaalsContact CZ-CD 3.45Å; R274-R278 PolarHBondContact O-N 2.9Å; E276-R278 PolarHBondContact O-N 2.93Å |
| 279 | P | 62.8 | Low | 74.6 | Confident | 71 Ų | 71 | 81.1 Ų | 81.1 | 46% | 0.461 | 44% | 0.435 | S | S | . | . | trans | -66.7 | 153.8 | 171.4 | 26.3 | -30.5 | 0 | 0 | 0 | 110.2 | S281 E282 | P279-S281 PolarHBondContact O-N 2.87Å; P279-E282 PolarHBondContact O-N 2.53Å | ||
| 280 | A | 57.4 | Low | 73.2 | Confident | 71 Ų | 71 | 82.9 Ų | 82.9 | 59% | 0.587 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -56.9 | -11.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 281 | S | 51.4 | Low | 71.6 | Confident | 93 Ų | 93 | 86.8 Ų | 86.8 | 65% | 0.65 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -74 | -22.4 | -179.8 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | P279 | P279-S281 PolarHBondContact O-N 2.87Š|
| 282 | E | 50.2 | Low | 69.7 | Low | 119 Ų | 119 | 92.9 Ų | 92.9 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -87.4 | -4.1 | -178 | -68.7 | -174.9 | 169.4 | 0 | 0 | 114 | P279 R284 | P279-E282 PolarHBondContact O-N 2.53Å; E282-R284 VanDerWaalsContact C-N 3.3Å; E282-R284 PolarHBondContact O-N 3.01Å |
| 283 | A | 48.3 | Very low | 67.6 | Low | 52 Ų | 52 | 97.1 Ų | 97.1 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -86.9 | 10.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 284 | R | 38.1 | Very low | 65.2 | Low | 232 Ų | 232 | 93.4 Ų | 93.4 | 88% | 0.875 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -132.2 | 22.7 | -176.5 | -69.9 | -168.7 | 179.1 | -172.6 | 1.1 | 115.1 | E282 | E282-R284 VanDerWaalsContact C-N 3.3Å; E282-R284 PolarHBondContact O-N 3.01Å |
| 285 | C | 33.6 | Very low | 62.4 | Low | 191 Ų | 191 | 99.4 Ų | 99.4 | 100% | 1.291 | 57% | 0.565 | S | S | * | * | trans | -109.7 | 0 | 170.7 | -69.5 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 285 of 285 residues in 571.9 ms
(Link to these results)