| 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 | 36.7 | Very low | 38 | Very low | 233 Ų | 233 | 154.2 Ų | 154.2 | 100% | 1.148 | 84% | 0.839 | S | S | * | * | 0 | 79.8 | 0 | -159.5 | 169.6 | 164.9 | 0 | 0 | 106.8 | |||||
| 2 | M | 32.3 | Very low | 38.6 | Very low | 178 Ų | 178 | 157.3 Ų | 157.3 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | 55.5 | 93.9 | 106.9 | -73.8 | -168.3 | -74.3 | 0 | 0 | 115.4 | |||||
| 3 | I | 31 | Very low | 39.3 | Very low | 158 Ų | 158 | 155.2 Ų | 155.2 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | trans | 15.5 | 152.8 | 130.2 | -49.9 | 171.9 | 0 | 0 | 0 | 117.8 | ||||
| 4 | P | 41.8 | Very low | 39.9 | Very low | 109 Ų | 109 | 151.6 Ų | 151.6 | 71% | 0.708 | 83% | 0.832 | S | S | * | * | cis | -130.7 | 165.6 | 9.9 | 15.5 | 12.6 | 0 | 0 | 0 | 115.5 | ||||
| 5 | V | 39.9 | Very low | 39.9 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 72% | 0.721 | 84% | 0.837 | S | S | * | * | 62.9 | 119.8 | 73.6 | -172.4 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 6 | T | 40.8 | Very low | 40.1 | Very low | 134 Ų | 134 | 156.3 Ų | 156.3 | 82% | 0.822 | 84% | 0.841 | S | S | * | * | trans | 68.9 | 118.3 | 160.8 | 50.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 7 | C | 34.7 | Very low | 40.4 | Very low | 123 Ų | 123 | 156 Ų | 156 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | -178.3 | 146.1 | 112.3 | -158.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 8 | R | 36 | Very low | 40.5 | Very low | 228 Ų | 228 | 156.7 Ų | 156.7 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | 92.1 | 61.4 | 171.6 | -55.8 | -166.8 | -178.2 | -150.4 | 0.4 | 117.5 | G10 | R8-G10 PolarHBondContact O-N 2.78Š| ||
| 9 | I | 46.7 | Very low | 40.5 | Very low | 187 Ų | 187 | 157.6 Ų | 157.6 | 96% | 0.959 | 84% | 0.844 | S | S | * | * | -44.6 | 113.7 | 125.2 | -63 | 162.8 | 0 | 0 | 0 | 107.5 | |||||
| 10 | G | 41.3 | Very low | 40.5 | Very low | 60 Ų | 60 | 157.2 Ų | 157.2 | 62% | 0.619 | 84% | 0.84 | S | S | * | * | trans | 150.2 | 47.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R8 | R8-G10 PolarHBondContact O-N 2.78Š| ||
| 11 | L | 36.6 | Very low | 40.4 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -157.3 | 23.9 | 167.2 | -107.5 | 138.6 | 0 | 0 | 0 | 112.9 | ||
| 12 | Q | 45.8 | Very low | 40.6 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -107.5 | 11.9 | -179.8 | -132.5 | -170.7 | -6.9 | 0 | 0 | 114.8 | ||
| 13 | V | 47 | Very low | 41.1 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -145.7 | 66.9 | 179.5 | -166.8 | 0 | 0 | 0 | 0 | 111 | ||
| 14 | S | 47.7 | Very low | 42.2 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -152.7 | 7.4 | 172.3 | -41.9 | 0 | 0 | 0 | 0 | 116.5 | ||
| 15 | F | 40.7 | Very low | 43.2 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 90% | 0.899 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -137.3 | 32.4 | -178.5 | -116.1 | -84.7 | 0 | 0 | 0 | 114.2 | ||
| 16 | L | 41.9 | Very low | 45.4 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -138.5 | 29.6 | 174.7 | -124.7 | 118 | 0 | 0 | 0 | 113.8 | ||
| 17 | L | 45.8 | Very low | 47.9 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -138.7 | 79.1 | 172.1 | -82.4 | 164.5 | 0 | 0 | 0 | 108.3 | ||||
| 18 | L | 42.8 | Very low | 50.7 | Low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 71% | 0.707 | S | S | * | * | trans | -170.6 | 50 | 157.9 | -99.3 | 159.5 | 0 | 0 | 0 | 110.2 | ||||
| 19 | L | 39.3 | Very low | 53.4 | Low | 175 Ų | 175 | 125.1 Ų | 125.1 | 92% | 0.916 | 67% | 0.674 | S | S | * | * | trans | -128 | 55.4 | 149.9 | -77.4 | 170.8 | 0 | 0 | 0 | 107.2 | G21 | L19-G21 PolarHBondContact O-N 2.92Š| ||
| 20 | I | 42.1 | Very low | 55.7 | Low | 149 Ų | 149 | 118.9 Ų | 118.9 | 76% | 0.764 | 65% | 0.646 | S | S | * | * | trans | -70.1 | 87.8 | 150.1 | -57.9 | 175.2 | 0 | 0 | 0 | 103.2 | Q22 | I20-Q22 PolarHBondContact O-N 3.3Š| ||
| 21 | G | 36.9 | Very low | 58.2 | Low | 52 Ų | 52 | 119.7 Ų | 119.7 | 54% | 0.536 | 65% | 0.646 | S | S | . | * | trans | -52.7 | 112.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | L19 T23 | L19-G21 PolarHBondContact O-N 2.92Å; G21-T23 PolarHBondContact O-N 3.15Å | ||
| 22 | Q | 41.6 | Very low | 61 | Low | 152 Ų | 152 | 122 Ų | 122 | 71% | 0.71 | 64% | 0.644 | S | S | * | * | trans | -54.9 | 102.8 | 162.9 | -82.4 | 179 | -27.7 | 0 | 0 | 105.2 | I20 H24 | I20-Q22 PolarHBondContact O-N 3.3Å; Q22-H24 PolarHBondContact O-N 3.22Å; Q22-H24 PolarHBondContact O-ND1 2.83Å; Q22-H24 PolarHBondContact OE1-CE1 2.86Å | ||
| 23 | T | 41.9 | Very low | 63.4 | Low | 116 Ų | 116 | 114.8 Ų | 114.8 | 71% | 0.712 | 61% | 0.611 | S | S | * | * | trans | -67.8 | 81.7 | 169.4 | 51.7 | 0 | 0 | 0 | 0 | 105.3 | G21 G25 | G21-T23 PolarHBondContact O-N 3.15Å; T23-G25 PolarHBondContact O-N 3.02Å | ||
| 24 | H | 54.7 | Low | 65.7 | Low | 136 Ų | 136 | 113.8 Ų | 113.8 | 63% | 0.63 | 60% | 0.596 | S | S | * | * | trans | -54.1 | 126 | 170.8 | -71.9 | 74.7 | 0 | 0 | 0 | 106.3 | Q22 R26 | Q22-H24 PolarHBondContact O-N 3.22Å; Q22-H24 PolarHBondContact O-ND1 2.83Å; Q22-H24 PolarHBondContact OE1-CE1 2.86Å; H24-R26 PolarHBondContact O-N 3.05Å | ||
| 25 | G | 62.6 | Low | 68.1 | Low | 8 Ų | 8 | 108.8 Ų | 108.8 | 8% | 0.082 | 56% | 0.561 | C | S | . | * | trans | -50.3 | 137.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T23 S48 D50 K122 | T23-G25 PolarHBondContact O-N 3.02Å; G25-S48 CarbonylContact C-O 3.57Å; G25-S48 WeakPolarHBondContact CA-O 3.43Å; G25-D50 VanDerWaalsContact N-CG 3.29Å; G25-D50 PolarHBondContact N-OD1 2.8Å; G25-D50 VanDerWaalsContact N-OD1 3.1Å; G25-D50 PolarHBondContact N-OD2 3.02Å; G25-K122 VanDerWaalsContact CA-NZ 3.31Å; G25-K122 VanDerWaalsContact O-CD 3.24Å; G25-K122 WeakPolarHBondContact O-CD 3.47Å; G25-K122 WeakPolarHBondContact O-CE 3.21Å; G25-K122 PolarHBondContact O-NZ 2.94Å | ||
| 26 | R | 86.6 | Confident | 70.7 | Confident | 184 Ų | 184 | 102.2 Ų | 102.2 | 69% | 0.694 | 54% | 0.539 | S | S | * | . | trans | -134.3 | 143.1 | -171.2 | -177.3 | 178.1 | -179.7 | -179 | 2.4 | 109.5 | H24 S48 | H24-R26 PolarHBondContact O-N 3.05Å; R26-S48 PolarHBondContact N-O 3.14Å; R26-S48 VanDerWaalsContact N-O 3.08Å; R26-S48 WeakPolarHBondContact O-CB 3.41Å; R26-S48 PolarHBondContact O-N 3.2Å | ||
| 27 | V | 92.3 | Very high | 73.3 | Confident | 10 Ų | 10 | 95.1 Ų | 95.1 | 6% | 0.061 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 127.8 | 167.5 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | C45 T46 L47 F114 K122 | V27-C45 HydrophobicContact CG1-CB 4.08Å; V27-T46 CarbonylContact C-O 3.55Å; V27-T46 WeakPolarHBondContact CA-O 3.41Å; V27-L47 HydrophobicContact CG2-CD1 3.84Å; V27-F114 HydrophobicContact CB-CD2 4.46Å; V27-F114 HydrophobicContact CG1-CD2 3.95Å; V27-F114 HydrophobicContact CG1-CE2 3.71Å; V27-F114 HydrophobicContact CG2-CB 4.46Å; V27-F114 HydrophobicContact CG2-CD2 3.58Å; V27-F114 HydrophobicContact CG2-CE2 4.15Å; V27-F114 HydrophobicContact CG2-CG 4.26Å; V27-K122 HydrophobicContact CG2-CB 3.72Å |
| 28 | T | 93.8 | Very high | 75.6 | Confident | 86 Ų | 86 | 93.2 Ų | 93.2 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.3 | 178.6 | -55.7 | 0 | 0 | 0 | 0 | 108.7 | T46 | T28-T46 PolarHBondContact N-O 3.38Å; T28-T46 PolarHBondContact O-N 3Å |
| 29 | A | 94.1 | Very high | 78.1 | Confident | 22 Ų | 22 | 91 Ų | 91 | 18% | 0.182 | 48% | 0.477 | C | S | . | . | trans | -137.4 | 148.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | A31 | A29-A31 PolarHBondContact O-N 3.36Š| ||
| 30 | P | 95.1 | Very high | 80.8 | Confident | 56 Ų | 56 | 86.8 Ų | 86.8 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | trans | -56.6 | 134.5 | 169.1 | -22.6 | 34.2 | 0 | 0 | 0 | 110.2 | L33 T44 T126 | P30-L33 HydrophobicContact CB-CD1 4.22Å; P30-L33 HydrophobicContact CB-CD2 3.66Å; P30-L33 HydrophobicContact CB-CG 3.93Å; P30-L33 HydrophobicContact CG-CD1 4.36Å; P30-L33 HydrophobicContact CG-CD2 4.12Å; P30-T44 WeakPolarHBondContact CD-O 3.32Å; P30-T126 WeakPolarHBondContact O-CA 3.43Å; P30-T126 WeakPolarHBondContact O-CB 3.48Å; P30-T126 PolarHBondContact O-OG1 2.84Å | ||
| 31 | A | 93.7 | Very high | 83.5 | Confident | 76 Ų | 76 | 81.7 Ų | 81.7 | 63% | 0.628 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -70.1 | -40.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A29 C127 | A29-A31 PolarHBondContact O-N 3.36Å; A31-C127 PolarHBondContact O-N 2.82Å |
| 32 | R | 95.4 | Very high | 86.3 | Confident | 216 Ų | 216 | 82.1 Ų | 82.1 | 82% | 0.815 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 135.8 | -179.4 | -63.4 | -173 | -179 | -152.2 | -0.5 | 110.4 | C127 | R32-C127 CarbonylContact C-O 3.6Å; R32-C127 WeakPolarHBondContact CA-O 3Å |
| 33 | L | 96.3 | Very high | 88.9 | Confident | 40 Ų | 40 | 74.9 Ų | 74.9 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.9 | 179.6 | -65.9 | 174.4 | 0 | 0 | 0 | 109.1 | P30 F41 L43 T126 C127 L128 T129 | P30-L33 HydrophobicContact CB-CD1 4.22Å; P30-L33 HydrophobicContact CB-CD2 3.66Å; P30-L33 HydrophobicContact CB-CG 3.93Å; P30-L33 HydrophobicContact CG-CD1 4.36Å; P30-L33 HydrophobicContact CG-CD2 4.12Å; L33-F41 HydrophobicContact CB-CE1 3.89Å; L33-F41 HydrophobicContact CB-CZ 3.98Å; L33-F41 HydrophobicContact CD1-CE1 3.96Å; L33-F41 HydrophobicContact CD1-CZ 4.46Å; L33-F41 HydrophobicContact CG-CE1 4.44Å; L33-L43 HydrophobicContact CD1-CD2 3.69Å; L33-T126 WeakPolarHBondContact CD1-OG1 3.16Å; L33-C127 PolarHBondContact N-O 3.46Å; L33-L128 HydrophobicContact CB-CD1 4.03Å; L33-L128 WeakPolarHBondContact O-CA 3.15Å; L33-T129 PolarHBondContact O-N 2.68Å; L33-T129 PolarHBondContact O-OG1 3.07Å |
| 34 | K | 95.3 | Very high | 91.5 | Very high | 109 Ų | 109 | 71.8 Ų | 71.8 | 47% | 0.474 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.7 | 174.9 | -160.1 | -176.1 | -148.4 | -163.1 | 0 | 108.9 | F41 T129 D131 | K34-F41 WeakPolarHBondContact O-CE2 3.43Å; K34-T129 CarbonylContact C-O 3.52Å; K34-T129 VanDerWaalsContact CA-O 3.28Å; K34-T129 WeakPolarHBondContact CA-O 3.43Å; K34-D131 HydrophobicContact CD-CB 3.78Å; K34-D131 VanDerWaalsContact CE-CB 3.47Å; K34-D131 VanDerWaalsContact CE-OD2 3.23Å; K34-D131 WeakPolarHBondContact CE-OD2 3.35Å; K34-D131 HydrophobicContact CG-CB 3.86Å; K34-D131 IonicContact NZ-OD1 2.65Å; K34-D131 PolarHBondContact NZ-OD1 2.86Å; K34-D131 IonicContact NZ-OD2 2.71Å; K34-D131 PolarHBondContact NZ-OD2 3.32Å |
| 35 | A | 96.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F41 V102 L128 T129 V130 D131 | A35-F41 HydrophobicContact CB-CB 3.85Å; A35-F41 HydrophobicContact CB-CD1 3.84Å; A35-F41 HydrophobicContact CB-CD2 3.46Å; A35-F41 VanDerWaalsContact CB-CD2 3.46Å; A35-F41 HydrophobicContact CB-CE1 4.22Å; A35-F41 HydrophobicContact CB-CE2 3.87Å; A35-F41 HydrophobicContact CB-CG 3.44Å; A35-F41 VanDerWaalsContact CB-CG 3.44Å; A35-F41 HydrophobicContact CB-CZ 4.23Å; A35-V102 HydrophobicContact CB-CB 4.49Å; A35-V102 HydrophobicContact CB-CG1 3.95Å; A35-V102 HydrophobicContact CB-CG2 4.22Å; A35-L128 HydrophobicContact CB-CD1 3.67Å; A35-L128 HydrophobicContact CB-CG 4.41Å; A35-T129 PolarHBondContact N-O 3.23Å; A35-V130 CarbonylContact O-C 3.54Å; A35-V130 WeakPolarHBondContact O-CA 3.33Å; A35-D131 PolarHBondContact O-N 3.03Å |
| 36 | P | 96 | Very high | 95 | Very high | 67 Ų | 67 | 67.9 Ų | 67.9 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 136.6 | 171.5 | 23.6 | -24.3 | 0 | 0 | 0 | 110.9 | K39 D131 | P36-K39 HydrophobicContact CB-CB 4.33Å; P36-K39 HydrophobicContact CB-CG 3.99Å; P36-K39 HydrophobicContact CG-CB 3.86Å; P36-K39 HydrophobicContact CG-CG 3.88Å; P36-K39 PolarHBondContact O-N 2.99Å; P36-D131 WeakPolarHBondContact CA-O 3.48Å |
| 37 | V | 95.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 147.1 | 174.6 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | K39 V130 D131 A132 L156 | V37-K39 PolarHBondContact O-N 3.26Å; V37-V130 HydrophobicContact CB-CG1 3.91Å; V37-V130 HydrophobicContact CG2-CG1 4.29Å; V37-D131 PolarHBondContact N-O 3.19Å; V37-A132 HydrophobicContact CB-CB 4.45Å; V37-A132 HydrophobicContact CG1-CB 3.67Å; V37-L156 HydrophobicContact CB-CD2 4.21Å; V37-L156 HydrophobicContact CB-CG 4.3Å; V37-L156 HydrophobicContact CG2-CD2 3.78Å; V37-L156 HydrophobicContact CG2-CG 4.26Å |
| 38 | D | 94.6 | Very high | 95.4 | Very high | 110 Ų | 110 | 62 Ų | 62 | 59% | 0.588 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 15.3 | 179.9 | -69.5 | -38.1 | 0 | 0 | 0 | 115.4 | V102 | D38-V102 PolarHBondContact N-O 2.96Š|
| 39 | K | 95.9 | Very high | 94.9 | Very high | 123 Ų | 123 | 62.7 Ų | 62.7 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -111.5 | 153.9 | 173.8 | -60.5 | -57.3 | -179.1 | -172.7 | 0 | 111.1 | P36 V37 V102 | P36-K39 HydrophobicContact CB-CB 4.33Å; P36-K39 HydrophobicContact CB-CG 3.99Å; P36-K39 HydrophobicContact CG-CB 3.86Å; P36-K39 HydrophobicContact CG-CG 3.88Å; P36-K39 PolarHBondContact O-N 2.99Å; V37-K39 PolarHBondContact O-N 3.26Å; K39-V102 WeakPolarHBondContact O-CG2 3.31Å; K39-V102 PolarHBondContact O-N 2.74Å |
| 40 | P | 96.7 | Very high | 94.4 | Very high | 86 Ų | 86 | 63.9 Ų | 63.9 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | trans | -68.4 | 141.3 | 169 | 28.6 | -33.5 | 0 | 0 | 0 | 110.3 | T98 I99 R100 | P40-T98 HydrophobicContact CB-CG2 4.02Å; P40-I99 CarbonylContact C-O 3.56Å; P40-I99 WeakPolarHBondContact CA-O 3.32Å; P40-R100 WeakPolarHBondContact CA-O 3.48Å; P40-R100 WeakPolarHBondContact CB-O 3.3Å | ||
| 41 | F | 97.3 | Very high | 93.8 | Very high | 42 Ų | 42 | 73.5 Ų | 73.5 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 137.4 | 177.9 | -164.9 | -96.9 | 0 | 0 | 0 | 111.8 | L33 K34 A35 L43 T98 I99 V102 L128 | L33-F41 HydrophobicContact CB-CE1 3.89Å; L33-F41 HydrophobicContact CB-CZ 3.98Å; L33-F41 HydrophobicContact CD1-CE1 3.96Å; L33-F41 HydrophobicContact CD1-CZ 4.46Å; L33-F41 HydrophobicContact CG-CE1 4.44Å; K34-F41 WeakPolarHBondContact O-CE2 3.43Å; A35-F41 HydrophobicContact CB-CB 3.85Å; A35-F41 HydrophobicContact CB-CD1 3.84Å; A35-F41 HydrophobicContact CB-CD2 3.46Å; A35-F41 VanDerWaalsContact CB-CD2 3.46Å; A35-F41 HydrophobicContact CB-CE1 4.22Å; A35-F41 HydrophobicContact CB-CE2 3.87Å; A35-F41 HydrophobicContact CB-CG 3.44Å; A35-F41 VanDerWaalsContact CB-CG 3.44Å; A35-F41 HydrophobicContact CB-CZ 4.23Å; F41-L43 HydrophobicContact CD1-CD2 4.14Å; F41-L43 HydrophobicContact CE1-CD2 4.06Å; F41-T98 CarbonylContact O-C 3.57Å; F41-T98 WeakPolarHBondContact O-CA 3.3Å; F41-I99 PolarHBondContact N-O 2.86Å; F41-I99 PolarHBondContact O-N 3.39Å; F41-V102 HydrophobicContact CB-CG2 3.5Å; F41-L128 HydrophobicContact CD1-CD1 3.74Å; F41-L128 HydrophobicContact CE1-CD1 3.58Å; F41-L128 HydrophobicContact CZ-CD1 4.35Å |
| 42 | T | 96.8 | Very high | 93.3 | Very high | 61 Ų | 61 | 73.2 Ų | 73.2 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.1 | -173.3 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | A88 A96 I97 T98 | T42-A88 HydrophobicContact CG2-CB 4.04Å; T42-A96 HydrophobicContact CG2-CB 3.78Å; T42-I97 CarbonylContact C-O 3.45Å; T42-I97 VanDerWaalsContact CA-O 3.25Å; T42-I97 WeakPolarHBondContact CA-O 3.42Å; T42-T98 PolarHBondContact OG1-OG1 3.24Å |
| 43 | L | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 139.9 | 169.2 | -55.9 | 177.9 | 0 | 0 | 0 | 109.1 | L33 F41 W60 A96 I97 I99 Y110 T126 L128 | L33-L43 HydrophobicContact CD1-CD2 3.69Å; F41-L43 HydrophobicContact CD1-CD2 4.14Å; F41-L43 HydrophobicContact CE1-CD2 4.06Å; L43-W60 HydrophobicContact CB-CH2 3.94Å; L43-W60 HydrophobicContact CB-CZ3 3.79Å; L43-W60 HydrophobicContact CD1-CZ3 4.38Å; L43-A96 CarbonylContact O-C 3.44Å; L43-A96 WeakPolarHBondContact O-CA 3.46Å; L43-I97 HydrophobicContact CB-CG1 3.97Å; L43-I97 HydrophobicContact CD1-CD1 4.24Å; L43-I97 HydrophobicContact CD1-CG1 4.43Å; L43-I97 PolarHBondContact N-O 2.91Å; L43-I97 PolarHBondContact O-N 3.35Å; L43-I99 HydrophobicContact CD1-CD1 4.47Å; L43-Y110 HydrophobicContact CD1-CD1 3.87Å; L43-Y110 HydrophobicContact CD1-CD2 3.65Å; L43-Y110 HydrophobicContact CD1-CE1 4.28Å; L43-Y110 HydrophobicContact CD1-CE2 4.1Å; L43-Y110 HydrophobicContact CD1-CG 3.52Å; L43-T126 HydrophobicContact CB-CG2 4.44Å; L43-T126 HydrophobicContact CD2-CG2 4.32Å; L43-L128 HydrophobicContact CD2-CD1 4.26Å |
| 44 | T | 96.3 | Very high | 92.6 | Very high | 51 Ų | 51 | 65.5 Ų | 65.5 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.7 | -175.9 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | P30 S95 A96 | P30-T44 WeakPolarHBondContact CD-O 3.32Å; T44-S95 WeakPolarHBondContact CA-O 3.37Å; T44-A96 HydrophobicContact CG2-CB 4.44Å |
| 45 | C | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 142.5 | 168.2 | -70.8 | 0 | 0 | 0 | 0 | 111 | V27 W60 S94 S95 C112 F114 | V27-C45 HydrophobicContact CG1-CB 4.08Å; C45-W60 HydrophobicContact CB-CH2 4.11Å; C45-W60 HydrophobicContact CB-CZ2 4.08Å; C45-W60 WeakPolarHBondContact SG-CH2 3.42Å; C45-S94 CarbonylContact O-C 3.49Å; C45-S94 VanDerWaalsContact O-CA 3.25Å; C45-S94 WeakPolarHBondContact O-CA 3.05Å; C45-S95 PolarHBondContact N-O 2.89Å; C45-S95 PolarHBondContact O-N 3.25Å; C45-C112 HydrophobicContact CB-CB 3.66Å; C45-C112 WeakPolarHBondContact CB-SG 3.33Å; C45-C112 WeakPolarHBondContact SG-CB 3.22Å; C45-C112 CovalentContact SG-SG 2.01Å; C45-C112 PolarHBondContact SG-SG 2.88Å; C45-F114 HydrophobicContact CB-CE2 3.79Å; C45-F114 HydrophobicContact CB-CZ 4.04Å |
| 46 | T | 95.1 | Very high | 92.1 | Very high | 62 Ų | 62 | 70 Ų | 70 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.3 | 179 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | V27 T28 S94 | V27-T46 CarbonylContact C-O 3.55Å; V27-T46 WeakPolarHBondContact CA-O 3.41Å; T28-T46 PolarHBondContact N-O 3.38Å; T28-T46 PolarHBondContact O-N 3Å; T46-S94 PolarHBondContact OG1-OG 3.44Å |
| 47 | L | 94 | Very high | 92 | Very high | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.9 | 175.6 | 173.3 | 67.4 | 0 | 0 | 0 | 109.4 | V27 K49 L55 D93 F114 L116 K122 | V27-L47 HydrophobicContact CG2-CD1 3.84Å; L47-K49 HydrophobicContact CD2-CB 4.35Å; L47-K49 HydrophobicContact CG-CB 4.41Å; L47-L55 HydrophobicContact CD2-CD1 4.31Å; L47-D93 PolarHBondContact N-O 3.02Å; L47-D93 WeakPolarHBondContact O-CB 3.42Å; L47-F114 HydrophobicContact CB-CD1 3.83Å; L47-F114 HydrophobicContact CB-CE1 3.87Å; L47-F114 HydrophobicContact CB-CG 4.21Å; L47-F114 HydrophobicContact CB-CZ 4.27Å; L47-F114 HydrophobicContact CD1-CB 4.34Å; L47-F114 HydrophobicContact CD1-CG 4.44Å; L47-F114 HydrophobicContact CD2-CB 4.31Å; L47-F114 HydrophobicContact CD2-CD1 3.88Å; L47-F114 HydrophobicContact CD2-CG 4.3Å; L47-F114 HydrophobicContact CG-CD1 4.34Å; L47-L116 HydrophobicContact CD1-CD1 3.99Å; L47-L116 HydrophobicContact CD2-CD1 4.33Å; L47-L116 HydrophobicContact CD2-CD2 3.64Å; L47-L116 HydrophobicContact CD2-CG 4.46Å; L47-K122 HydrophobicContact CD1-CD 4.41Å |
| 48 | S | 91.5 | Very high | 92 | Very high | 65 Ų | 65 | 68.7 Ų | 68.7 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | trans | -90.6 | 114.8 | 159.1 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | G25 R26 | G25-S48 CarbonylContact C-O 3.57Å; G25-S48 WeakPolarHBondContact CA-O 3.43Å; R26-S48 PolarHBondContact N-O 3.14Å; R26-S48 VanDerWaalsContact N-O 3.08Å; R26-S48 WeakPolarHBondContact O-CB 3.41Å; R26-S48 PolarHBondContact O-N 3.2Å | ||
| 49 | K | 84.6 | Confident | 92 | Very high | 100 Ų | 100 | 67.4 Ų | 67.4 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -99.3 | 146.8 | -179.4 | 74.3 | -173.9 | 174 | -145 | 0 | 111.8 | L47 E53 D93 | L47-K49 HydrophobicContact CD2-CB 4.35Å; L47-K49 HydrophobicContact CG-CB 4.41Å; K49-E53 WeakPolarHBondContact CA-OE2 3.47Å; K49-E53 HydrophobicContact CB-CB 4.36Å; K49-D93 IonicContact NZ-OD1 2.87Å; K49-D93 PolarHBondContact NZ-OD1 2.94Å; K49-D93 IonicContact NZ-OD2 3.52Å; K49-D93 PolarHBondContact NZ-OD2 2.86Å |
| 50 | D | 83.9 | Confident | 92.1 | Very high | 47 Ų | 47 | 61.5 Ų | 61.5 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 160.6 | 171.6 | -62.9 | -45.5 | 0 | 0 | 0 | 111.1 | G25 G52 E53 K122 | G25-D50 VanDerWaalsContact N-CG 3.29Å; G25-D50 PolarHBondContact N-OD1 2.8Å; G25-D50 VanDerWaalsContact N-OD1 3.1Å; G25-D50 PolarHBondContact N-OD2 3.02Å; D50-G52 PolarHBondContact O-N 2.85Å; D50-E53 HydrophobicContact CB-CG 4.06Å; D50-E53 PolarHBondContact N-OE2 2.97Å; D50-E53 PolarHBondContact O-N 2.85Å; D50-K122 IonicContact OD2-NZ 3.27Å; D50-K122 PolarHBondContact OD2-NZ 2.94Å |
| 51 | R | 81.6 | Confident | 92 | Very high | 259 Ų | 259 | 58.5 Ų | 58.5 | 98% | 0.977 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 126.5 | 179.2 | -68.3 | -175 | -179.3 | -171.9 | 0.7 | 110.1 | ||
| 52 | G | 82.9 | Confident | 91.9 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 71% | 0.711 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D50 | D50-G52 PolarHBondContact O-N 2.85Š|
| 53 | E | 88.1 | Confident | 91.6 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | trans | -77.4 | 133.4 | 173.4 | -66.3 | -176.8 | 153.3 | 0 | 0 | 111.6 | K49 D50 L116 S119 K122 | K49-E53 WeakPolarHBondContact CA-OE2 3.47Å; K49-E53 HydrophobicContact CB-CB 4.36Å; D50-E53 HydrophobicContact CB-CG 4.06Å; D50-E53 PolarHBondContact N-OE2 2.97Å; D50-E53 PolarHBondContact O-N 2.85Å; E53-L116 HydrophobicContact CB-CD2 4.5Å; E53-S119 WeakPolarHBondContact CG-OG 3.3Å; E53-S119 WeakPolarHBondContact OE1-CB 3.32Å; E53-S119 PolarHBondContact OE1-OG 2.87Å; E53-K122 IonicContact OE1-NZ 3.05Å; E53-K122 PolarHBondContact OE1-NZ 3.2Å; E53-K122 IonicContact OE2-NZ 3.58Å | ||
| 54 | T | 88.8 | Confident | 91.3 | Very high | 80 Ų | 80 | 65.6 Ų | 65.6 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.3 | 171.7 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | L116 S117 | T54-L116 WeakPolarHBondContact O-CA 3.26Å; T54-S117 PolarHBondContact N-O 2.88Å; T54-S117 VanDerWaalsContact N-O 3.11Å; T54-S117 PolarHBondContact O-N 3.27Å |
| 55 | L | 90.9 | Very high | 91.1 | Very high | 45 Ų | 45 | 68.9 Ų | 68.9 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.8 | 175 | -177.3 | 63.8 | 0 | 0 | 0 | 110.5 | L47 E57 V58 P73 F114 L116 | L47-L55 HydrophobicContact CD2-CD1 4.31Å; L55-E57 WeakPolarHBondContact CD1-O 3.3Å; L55-V58 HydrophobicContact CD1-CG2 4.13Å; L55-V58 HydrophobicContact CD2-CG2 3.8Å; L55-V58 HydrophobicContact CG-CG2 4.27Å; L55-P73 HydrophobicContact CB-CG 4.29Å; L55-P73 HydrophobicContact CD2-CB 4.35Å; L55-P73 HydrophobicContact CD2-CG 3.44Å; L55-P73 VanDerWaalsContact CD2-CG 3.44Å; L55-P73 HydrophobicContact CG-CG 3.57Å; L55-F114 HydrophobicContact CD1-CB 3.76Å; L55-F114 HydrophobicContact CD1-CD1 3.69Å; L55-F114 HydrophobicContact CD1-CG 4.21Å; L55-F114 HydrophobicContact CD2-CD1 3.93Å; L55-F114 HydrophobicContact CD2-CE1 4.37Å; L55-F114 HydrophobicContact CG-CD1 4.48Å; L55-L116 HydrophobicContact CB-CD2 4.05Å; L55-L116 HydrophobicContact CD1-CD2 3.9Å |
| 56 | R | 91.7 | Very high | 90.9 | Very high | 158 Ų | 158 | 73.9 Ų | 73.9 | 60% | 0.596 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -42.6 | -179.1 | -65.8 | -169.1 | 175.6 | -169.2 | 6 | 112.7 | P73 E115 S117 | R56-P73 WeakPolarHBondContact O-CD 3.48Å; R56-E115 PolarHBondContact N-O 2.97Å; R56-S117 PolarHBondContact NH2-OG 2.87Å |
| 57 | E | 93.2 | Very high | 90.8 | Very high | 64 Ų | 64 | 74.1 Ų | 74.1 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 149.2 | -174.2 | -168.7 | -178.3 | 179.2 | 0 | 0 | 110.2 | L55 R59 Y71 E115 | L55-E57 WeakPolarHBondContact CD1-O 3.3Å; E57-R59 HydrophobicContact CG-CG 4.16Å; E57-Y71 WeakPolarHBondContact CA-O 3.12Å; E57-E115 HydrophobicContact CB-CB 4.1Å; E57-E115 HydrophobicContact CB-CG 4.2Å; E57-E115 PolarHBondContact O-N 2.84Å |
| 58 | V | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.6 | 168.1 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | L55 S70 Y71 P73 I113 F114 | L55-V58 HydrophobicContact CD1-CG2 4.13Å; L55-V58 HydrophobicContact CD2-CG2 3.8Å; L55-V58 HydrophobicContact CG-CG2 4.27Å; V58-S70 VanDerWaalsContact O-CA 3.28Å; V58-S70 WeakPolarHBondContact O-CA 3.32Å; V58-Y71 HydrophobicContact CB-CD1 4.15Å; V58-Y71 HydrophobicContact CB-CE1 3.58Å; V58-Y71 HydrophobicContact CB-CE2 4.45Å; V58-Y71 HydrophobicContact CG1-CE1 3.84Å; V58-Y71 HydrophobicContact CG2-CE1 4.33Å; V58-Y71 HydrophobicContact CG2-CE2 4.46Å; V58-Y71 PolarHBondContact N-O 2.91Å; V58-Y71 PolarHBondContact O-N 2.82Å; V58-P73 HydrophobicContact CG2-CG 4.46Å; V58-I113 CarbonylContact C-O 3.43Å; V58-I113 WeakPolarHBondContact CA-O 3.41Å; V58-F114 HydrophobicContact CG1-CE1 4.36Å; V58-F114 HydrophobicContact CG1-CZ 4.46Å; V58-F114 HydrophobicContact CG2-CD1 3.77Å; V58-F114 HydrophobicContact CG2-CE1 3.91Å |
| 59 | R | 96.1 | Very high | 91 | Very high | 83 Ų | 83 | 71 Ų | 71 | 31% | 0.313 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 137.5 | 177.3 | -59.9 | -172.8 | -72 | 170.7 | -4.7 | 110.9 | E57 C112 I113 E115 | E57-R59 HydrophobicContact CG-CG 4.16Å; R59-C112 CarbonylContact O-C 3.57Å; R59-C112 WeakPolarHBondContact O-CA 3.45Å; R59-I113 HydrophobicContact CB-CB 4.44Å; R59-I113 PolarHBondContact N-O 3.06Å; R59-I113 PolarHBondContact O-N 2.81Å; R59-E115 IonicContact CZ-OE1 3.66Å; R59-E115 IonicContact NE-OE1 3.83Å; R59-E115 IonicContact NH2-OE1 2.73Å; R59-E115 PolarHBondContact NH2-OE1 2.81Å |
| 60 | W | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.6 | 172.1 | -74.6 | 81.3 | 0 | 0 | 0 | 109.4 | L43 C45 L68 L69 S95 I97 T111 C112 T126 | L43-W60 HydrophobicContact CB-CH2 3.94Å; L43-W60 HydrophobicContact CB-CZ3 3.79Å; L43-W60 HydrophobicContact CD1-CZ3 4.38Å; C45-W60 HydrophobicContact CB-CH2 4.11Å; C45-W60 HydrophobicContact CB-CZ2 4.08Å; C45-W60 WeakPolarHBondContact SG-CH2 3.42Å; W60-L68 HydrophobicContact CB-CB 4.34Å; W60-L68 PolarHBondContact O-N 2.98Å; W60-L69 PolarHBondContact N-O 2.83Å; W60-L69 PolarHBondContact O-N 2.71Å; W60-S95 PolarHBondContact NE1-OG 3.23Å; W60-I97 HydrophobicContact CB-CD1 3.91Å; W60-I97 HydrophobicContact CD2-CD1 3.54Å; W60-I97 HydrophobicContact CD2-CG1 3.76Å; W60-I97 HydrophobicContact CD2-CG2 4.1Å; W60-I97 HydrophobicContact CE3-CD1 3.5Å; W60-I97 HydrophobicContact CE3-CG1 3.86Å; W60-I97 HydrophobicContact CG-CD1 3.73Å; W60-I97 HydrophobicContact CG-CG1 4.22Å; W60-I97 HydrophobicContact CG-CG2 3.88Å; W60-I97 HydrophobicContact CH2-CG1 4.36Å; W60-I97 HydrophobicContact CZ2-CG1 4.3Å; W60-I97 HydrophobicContact CZ3-CD1 4.2Å; W60-I97 HydrophobicContact CZ3-CG1 4.16Å; W60-T111 CarbonylContact C-O 3.58Å; W60-T111 WeakPolarHBondContact CA-O 3.17Å; W60-C112 HydrophobicContact CD2-CB 3.94Å; W60-C112 HydrophobicContact CE3-CB 3.97Å; W60-C112 HydrophobicContact CH2-CB 3.86Å; W60-C112 HydrophobicContact CZ2-CB 3.79Å; W60-C112 HydrophobicContact CZ3-CB 3.94Å; W60-T126 HydrophobicContact CZ3-CG2 4.28Å |
| 61 | L | 95.5 | Very high | 92 | Very high | 23 Ų | 23 | 66 Ų | 66 | 12% | 0.12 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 145 | 176.8 | -52.7 | -176.1 | 0 | 0 | 0 | 110.3 | Q66 Y110 T111 I113 | L61-Q66 CarbonylContact C-O 3.57Å; L61-Q66 VanDerWaalsContact CA-O 3.24Å; L61-Q66 WeakPolarHBondContact CA-O 3.33Å; L61-Y110 WeakPolarHBondContact O-CA 3.48Å; L61-T111 PolarHBondContact N-O 2.92Å; L61-T111 PolarHBondContact O-N 3.46Å; L61-I113 HydrophobicContact CD1-CD1 3.61Å; L61-I113 HydrophobicContact CG-CD1 4.11Å |
| 62 | D | 93.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | trans | -79.2 | -176 | 169.3 | 70.9 | 8.5 | 0 | 0 | 0 | 112.3 | K64 N65 Q66 L68 C109 Y110 | D62-K64 PolarHBondContact O-N 2.81Å; D62-K64 VanDerWaalsContact OD1-C 3.25Å; D62-K64 VanDerWaalsContact OD1-CA 3.32Å; D62-K64 WeakPolarHBondContact OD1-CA 3.16Å; D62-K64 WeakPolarHBondContact OD1-CB 3.28Å; D62-K64 PolarHBondContact OD1-N 2.65Å; D62-N65 PolarHBondContact O-N 2.78Å; D62-N65 VanDerWaalsContact O-N 3.07Å; D62-N65 PolarHBondContact OD1-N 3.39Å; D62-Q66 PolarHBondContact N-O 2.89Å; D62-Q66 WeakPolarHBondContact OD1-CB 2.95Å; D62-Q66 PolarHBondContact OD1-N 2.97Å; D62-Q66 WeakPolarHBondContact OD2-CB 3.47Å; D62-L68 HydrophobicContact CB-CD1 3.94Å; D62-L68 HydrophobicContact CB-CD2 3.98Å; D62-L68 HydrophobicContact CB-CG 3.94Å; D62-C109 CarbonylContact C-O 3.56Å; D62-Y110 HydrophobicContact CB-CE1 4.4Å | ||
| 63 | D | 90.4 | Very high | 92.7 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.3 | 179.3 | 72.1 | -36.6 | 0 | 0 | 0 | 113.7 | C109 | D63-C109 VanDerWaalsContact CA-O 3.29Å; D63-C109 WeakPolarHBondContact CA-O 3.4Å; D63-C109 PolarHBondContact N-O 2.86Å |
| 64 | K | 91.9 | Very high | 92.4 | Very high | 147 Ų | 147 | 61.6 Ų | 61.6 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 11.8 | 177 | -65.7 | 163.5 | -167.2 | 163.1 | 0 | 112.2 | D62 Q66 | D62-K64 PolarHBondContact O-N 2.81Å; D62-K64 VanDerWaalsContact OD1-C 3.25Å; D62-K64 VanDerWaalsContact OD1-CA 3.32Å; D62-K64 WeakPolarHBondContact OD1-CA 3.16Å; D62-K64 WeakPolarHBondContact OD1-CB 3.28Å; D62-K64 PolarHBondContact OD1-N 2.65Å; K64-Q66 HydrophobicContact CB-CG 4.15Å; K64-Q66 PolarHBondContact O-N 3.42Å |
| 65 | N | 91.6 | Very high | 92.3 | Very high | 120 Ų | 120 | 61 Ų | 61 | 64% | 0.642 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 59.7 | 21.5 | -175.3 | -61.5 | -39.4 | 0 | 0 | 0 | 114.4 | D62 | D62-N65 PolarHBondContact O-N 2.78Å; D62-N65 VanDerWaalsContact O-N 3.07Å; D62-N65 PolarHBondContact OD1-N 3.39Å |
| 66 | Q | 91.9 | Very high | 91.7 | Very high | 105 Ų | 105 | 69.3 Ų | 69.3 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | trans | -82.4 | 141.4 | 172.7 | -53.6 | -173.2 | -1.7 | 0 | 0 | 109.8 | L61 D62 K64 L68 | L61-Q66 CarbonylContact C-O 3.57Å; L61-Q66 VanDerWaalsContact CA-O 3.24Å; L61-Q66 WeakPolarHBondContact CA-O 3.33Å; D62-Q66 PolarHBondContact N-O 2.89Å; D62-Q66 WeakPolarHBondContact OD1-CB 2.95Å; D62-Q66 PolarHBondContact OD1-N 2.97Å; D62-Q66 WeakPolarHBondContact OD2-CB 3.47Å; K64-Q66 HydrophobicContact CB-CG 4.15Å; K64-Q66 PolarHBondContact O-N 3.42Å; Q66-L68 PolarHBondContact O-N 3.5Å | ||
| 67 | T | 93.3 | Very high | 91.2 | Very high | 66 Ų | 66 | 69.2 Ų | 69.2 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 116.2 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 68 | L | 92.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -45.8 | 172.5 | -68 | 167.6 | 0 | 0 | 0 | 110.9 | W60 D62 Q66 G81 Q82 V85 I97 Y110 | W60-L68 HydrophobicContact CB-CB 4.34Å; W60-L68 PolarHBondContact O-N 2.98Å; D62-L68 HydrophobicContact CB-CD1 3.94Å; D62-L68 HydrophobicContact CB-CD2 3.98Å; D62-L68 HydrophobicContact CB-CG 3.94Å; Q66-L68 PolarHBondContact O-N 3.5Å; L68-G81 CarbonylContact O-C 3.58Å; L68-G81 WeakPolarHBondContact O-CA 3.46Å; L68-Q82 PolarHBondContact O-N 3.01Å; L68-V85 HydrophobicContact CD2-CG2 4.44Å; L68-I97 HydrophobicContact CD1-CD1 4.45Å; L68-Y110 HydrophobicContact CD1-CD1 3.26Å; L68-Y110 HydrophobicContact CD1-CE1 3.32Å |
| 69 | L | 95.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 134.7 | -176.3 | -169.3 | 147.1 | 0 | 0 | 0 | 110.1 | W60 Y71 V79 S80 V85 L87 I97 | W60-L69 PolarHBondContact N-O 2.83Å; W60-L69 PolarHBondContact O-N 2.71Å; L69-Y71 HydrophobicContact CD2-CD1 3.5Å; L69-Y71 VanDerWaalsContact CD2-CD1 3.5Å; L69-Y71 HydrophobicContact CD2-CE1 4.05Å; L69-Y71 HydrophobicContact CD2-CG 4.45Å; L69-V79 HydrophobicContact CD1-CG1 3.98Å; L69-V79 HydrophobicContact CD2-CG1 4.29Å; L69-V79 HydrophobicContact CG-CG1 4.1Å; L69-S80 CarbonylContact C-O 3.59Å; L69-S80 VanDerWaalsContact CA-O 3.31Å; L69-S80 WeakPolarHBondContact CA-O 3.43Å; L69-V85 HydrophobicContact CD1-CG1 4.35Å; L69-L87 HydrophobicContact CD1-CB 4.13Å; L69-L87 HydrophobicContact CD2-CB 4.38Å; L69-L87 HydrophobicContact CD2-CD1 4.15Å; L69-I97 HydrophobicContact CB-CG2 4.41Å; L69-I97 HydrophobicContact CD1-CG2 4.31Å; L69-I97 HydrophobicContact CD2-CG2 4.19Å |
| 70 | S | 95.3 | Very high | 90.1 | Very high | 20 Ų | 20 | 70 Ų | 70 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 149.2 | 169.9 | 63 | 0 | 0 | 0 | 0 | 110.9 | V58 V79 S80 | V58-S70 VanDerWaalsContact O-CA 3.28Å; V58-S70 WeakPolarHBondContact O-CA 3.32Å; S70-V79 WeakPolarHBondContact O-CA 3.41Å; S70-S80 PolarHBondContact N-O 3.38Å; S70-S80 PolarHBondContact O-N 3.1Å |
| 71 | Y | 94.7 | Very high | 89.5 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 8% | 0.082 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 160 | 177.5 | 69 | -77.2 | 0 | 0 | 0 | 112.1 | E57 V58 L69 L87 S95 | E57-Y71 WeakPolarHBondContact CA-O 3.12Å; V58-Y71 HydrophobicContact CB-CD1 4.15Å; V58-Y71 HydrophobicContact CB-CE1 3.58Å; V58-Y71 HydrophobicContact CB-CE2 4.45Å; V58-Y71 HydrophobicContact CG1-CE1 3.84Å; V58-Y71 HydrophobicContact CG2-CE1 4.33Å; V58-Y71 HydrophobicContact CG2-CE2 4.46Å; V58-Y71 PolarHBondContact N-O 2.91Å; V58-Y71 PolarHBondContact O-N 2.82Å; L69-Y71 HydrophobicContact CD2-CD1 3.5Å; L69-Y71 VanDerWaalsContact CD2-CD1 3.5Å; L69-Y71 HydrophobicContact CD2-CE1 4.05Å; L69-Y71 HydrophobicContact CD2-CG 4.45Å; Y71-L87 HydrophobicContact CD1-CD1 3.85Å; Y71-L87 HydrophobicContact CD1-CD2 4.19Å; Y71-L87 HydrophobicContact CD2-CD2 3.83Å; Y71-L87 HydrophobicContact CE1-CD1 3.35Å; Y71-L87 HydrophobicContact CE1-CD2 4.29Å; Y71-L87 HydrophobicContact CE1-CG 4.48Å; Y71-L87 HydrophobicContact CE2-CD1 4.19Å; Y71-L87 HydrophobicContact CE2-CD2 3.96Å; Y71-L87 HydrophobicContact CG-CD1 4.43Å; Y71-L87 HydrophobicContact CG-CD2 3.95Å; Y71-S95 WeakPolarHBondContact OH-CB 3.37Å; Y71-S95 PolarHBondContact OH-OG 3.33Å |
| 72 | Q | 91.8 | Very high | 89 | Confident | 101 Ų | 101 | 74 Ų | 74 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | trans | -95.8 | 127.2 | 169.7 | -65 | 178.7 | -21.7 | 0 | 0 | 109.9 | G74 N75 S78 | Q72-G74 PolarHBondContact O-N 3.22Å; Q72-N75 HydrophobicContact CB-CB 4.28Å; Q72-N75 PolarHBondContact O-N 3.13Å; Q72-N75 VanDerWaalsContact O-N 3.12Å; Q72-S78 PolarHBondContact N-OG 2.75Å; Q72-S78 PolarHBondContact O-OG 2.83Å | ||
| 73 | P | 87.4 | Confident | 88.5 | Confident | 55 Ų | 55 | 81.9 Ų | 81.9 | 36% | 0.357 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 132.1 | 179.2 | -19.8 | 27.6 | 0 | 0 | 0 | 112.1 | L55 R56 V58 N75 | L55-P73 HydrophobicContact CB-CG 4.29Å; L55-P73 HydrophobicContact CD2-CB 4.35Å; L55-P73 HydrophobicContact CD2-CG 3.44Å; L55-P73 VanDerWaalsContact CD2-CG 3.44Å; L55-P73 HydrophobicContact CG-CG 3.57Å; R56-P73 WeakPolarHBondContact O-CD 3.48Å; V58-P73 HydrophobicContact CG2-CG 4.46Å; P73-N75 VanDerWaalsContact C-N 3.28Å; P73-N75 PolarHBondContact O-N 3.31Å |
| 74 | G | 82.6 | Confident | 88.5 | Confident | 94 Ų | 94 | 81.5 Ų | 81.5 | 97% | 0.969 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -8.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q72 | Q72-G74 PolarHBondContact O-N 3.22Š|
| 75 | N | 86.3 | Confident | 88.5 | Confident | 67 Ų | 67 | 75 Ų | 75 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | trans | -112.5 | 100.1 | 174.7 | -176.9 | 1.2 | 0 | 0 | 0 | 110.5 | Q72 P73 D77 S78 | Q72-N75 HydrophobicContact CB-CB 4.28Å; Q72-N75 PolarHBondContact O-N 3.13Å; Q72-N75 VanDerWaalsContact O-N 3.12Å; P73-N75 VanDerWaalsContact C-N 3.28Å; P73-N75 PolarHBondContact O-N 3.31Å; N75-D77 VanDerWaalsContact C-N 3.29Å; N75-D77 PolarHBondContact O-N 3.04Å; N75-D77 PolarHBondContact OD1-N 2.86Å; N75-S78 WeakPolarHBondContact O-CB 3.38Å; N75-S78 PolarHBondContact O-N 3.49Å; N75-S78 PolarHBondContact O-OG 3.01Å | ||
| 76 | R | 77.4 | Confident | 88.7 | Confident | 221 Ų | 221 | 72.9 Ų | 72.9 | 83% | 0.834 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -68.1 | -28.1 | -176.9 | -70.7 | -175.3 | 173.3 | -176.4 | -2.6 | 113.6 | S78 V79 | R76-S78 PolarHBondContact O-N 3.48Å; R76-V79 WeakPolarHBondContact O-CG2 3.26Å |
| 77 | D | 82.6 | Confident | 88.8 | Confident | 155 Ų | 155 | 70.8 Ų | 70.8 | 83% | 0.829 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -77.6 | -9.7 | -179.3 | -57.1 | -33.9 | 0 | 0 | 0 | 112.2 | N75 V79 | N75-D77 VanDerWaalsContact C-N 3.29Å; N75-D77 PolarHBondContact O-N 3.04Å; N75-D77 PolarHBondContact OD1-N 2.86Å; D77-V79 VanDerWaalsContact C-N 3.3Å |
| 78 | S | 84.6 | Confident | 88.7 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -81 | -6.6 | 177.6 | 72.4 | 0 | 0 | 0 | 0 | 114.3 | Q72 N75 R76 S80 | Q72-S78 PolarHBondContact N-OG 2.75Å; Q72-S78 PolarHBondContact O-OG 2.83Å; N75-S78 WeakPolarHBondContact O-CB 3.38Å; N75-S78 PolarHBondContact O-N 3.49Å; N75-S78 PolarHBondContact O-OG 3.01Å; R76-S78 PolarHBondContact O-N 3.48Å; S78-S80 PolarHBondContact O-N 3.12Å |
| 79 | V | 88.6 | Confident | 88.6 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 36% | 0.358 | 43% | 0.426 | S | S | . | . | trans | -68.2 | 117.2 | -177.8 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | L69 S70 R76 D77 L87 | L69-V79 HydrophobicContact CD1-CG1 3.98Å; L69-V79 HydrophobicContact CD2-CG1 4.29Å; L69-V79 HydrophobicContact CG-CG1 4.1Å; S70-V79 WeakPolarHBondContact O-CA 3.41Å; R76-V79 WeakPolarHBondContact O-CG2 3.26Å; D77-V79 VanDerWaalsContact C-N 3.3Å; V79-L87 HydrophobicContact CG1-CB 4.43Å; V79-L87 HydrophobicContact CG2-CB 4.47Å; V79-L87 HydrophobicContact CG2-CD2 3.78Å | ||
| 80 | S | 87.3 | Confident | 88.2 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.6 | 176 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | L69 S70 S78 | L69-S80 CarbonylContact C-O 3.59Å; L69-S80 VanDerWaalsContact CA-O 3.31Å; L69-S80 WeakPolarHBondContact CA-O 3.43Å; S70-S80 PolarHBondContact N-O 3.38Å; S70-S80 PolarHBondContact O-N 3.1Å; S78-S80 PolarHBondContact O-N 3.12Å |
| 81 | G | 83.9 | Confident | 87.8 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 51% | 0.505 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | -176 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L68 | L68-G81 CarbonylContact O-C 3.58Å; L68-G81 WeakPolarHBondContact O-CA 3.46Å |
| 82 | Q | 85.4 | Confident | 87.1 | Confident | 59 Ų | 59 | 89 Ų | 89 | 28% | 0.276 | 50% | 0.497 | S | S | . | . | trans | -75.6 | 142.9 | 177.7 | -62 | -178.9 | -9.3 | 0 | 0 | 111.1 | L68 H84 V85 | L68-Q82 PolarHBondContact O-N 3.01Å; Q82-H84 PolarHBondContact O-N 2.85Å; Q82-H84 VanDerWaalsContact O-N 3.13Å; Q82-H84 PolarHBondContact OE1-CE1 2.85Å; Q82-V85 PolarHBondContact O-N 3.49Å; Q82-V85 VanDerWaalsContact O-O 3.05Å | ||
| 83 | Q | 83.3 | Confident | 86.9 | Confident | 182 Ų | 182 | 87 Ų | 87 | 85% | 0.85 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18 | -172.6 | -67.1 | -175.2 | -20.4 | 0 | 0 | 115.5 | R100 | Q83-R100 PolarHBondContact O-NH1 3.33Š|
| 84 | H | 90.6 | Very high | 87.2 | Confident | 80 Ų | 80 | 85.2 Ų | 85.2 | 37% | 0.37 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -6.9 | -179.7 | 70.7 | -98.6 | 0 | 0 | 0 | 113.4 | Q82 R100 | Q82-H84 PolarHBondContact O-N 2.85Å; Q82-H84 VanDerWaalsContact O-N 3.13Å; Q82-H84 PolarHBondContact OE1-CE1 2.85Å; H84-R100 PolarHBondContact O-N 3.26Å |
| 85 | V | 92.8 | Very high | 87.8 | Confident | 10 Ų | 10 | 80.7 Ų | 80.7 | 6% | 0.061 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.7 | 178 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | L68 L69 Q82 I97 T98 I99 | L68-V85 HydrophobicContact CD2-CG2 4.44Å; L69-V85 HydrophobicContact CD1-CG1 4.35Å; Q82-V85 PolarHBondContact O-N 3.49Å; Q82-V85 VanDerWaalsContact O-O 3.05Å; V85-I97 HydrophobicContact CG1-CB 3.84Å; V85-I97 HydrophobicContact CG1-CD1 3.94Å; V85-I97 HydrophobicContact CG1-CG1 4.35Å; V85-I97 HydrophobicContact CG1-CG2 4.45Å; V85-T98 WeakPolarHBondContact CA-O 3.49Å; V85-I99 HydrophobicContact CG2-CG1 4.43Å |
| 86 | E | 94 | Very high | 88.2 | Confident | 76 Ų | 76 | 77.8 Ų | 77.8 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.6 | 175.6 | 64.1 | -169.3 | -174.5 | 0 | 0 | 111.9 | A88 I97 T98 R100 | E86-A88 PolarHBondContact O-N 2.82Å; E86-I97 CarbonylContact O-C 3.45Å; E86-I97 WeakPolarHBondContact O-CA 3.39Å; E86-T98 PolarHBondContact N-O 3.42Å; E86-T98 PolarHBondContact O-N 2.77Å; E86-R100 HydrophobicContact CG-CG 4.46Å; E86-R100 IonicContact OE2-CZ 3.9Å; E86-R100 VanDerWaalsContact OE2-CZ 3.28Å; E86-R100 IonicContact OE2-NE 2.78Å; E86-R100 PolarHBondContact OE2-NE 2.87Å; E86-R100 IonicContact OE2-NH2 3.09Å; E86-R100 PolarHBondContact OE2-NH2 2.98Å |
| 87 | L | 94.1 | Very high | 89.1 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.6 | 174.6 | -177.1 | 66 | 0 | 0 | 0 | 109.1 | L69 Y71 V79 A96 | L69-L87 HydrophobicContact CD1-CB 4.13Å; L69-L87 HydrophobicContact CD2-CB 4.38Å; L69-L87 HydrophobicContact CD2-CD1 4.15Å; Y71-L87 HydrophobicContact CD1-CD1 3.85Å; Y71-L87 HydrophobicContact CD1-CD2 4.19Å; Y71-L87 HydrophobicContact CD2-CD2 3.83Å; Y71-L87 HydrophobicContact CE1-CD1 3.35Å; Y71-L87 HydrophobicContact CE1-CD2 4.29Å; Y71-L87 HydrophobicContact CE1-CG 4.48Å; Y71-L87 HydrophobicContact CE2-CD1 4.19Å; Y71-L87 HydrophobicContact CE2-CD2 3.96Å; Y71-L87 HydrophobicContact CG-CD1 4.43Å; Y71-L87 HydrophobicContact CG-CD2 3.95Å; V79-L87 HydrophobicContact CG1-CB 4.43Å; V79-L87 HydrophobicContact CG2-CB 4.47Å; V79-L87 HydrophobicContact CG2-CD2 3.78Å; L87-A96 WeakPolarHBondContact CD1-O 3.43Å |
| 88 | A | 92.5 | Very high | 89.7 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 155.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T42 E86 S90 A96 | T42-A88 HydrophobicContact CG2-CB 4.04Å; E86-A88 PolarHBondContact O-N 2.82Å; A88-S90 PolarHBondContact O-N 2.96Å; A88-A96 HydrophobicContact CB-CB 3.82Å; A88-A96 PolarHBondContact N-O 3.26Å |
| 89 | T | 89.5 | Confident | 90.3 | Very high | 146 Ų | 146 | 59.3 Ų | 59.3 | 90% | 0.896 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 124.5 | 175.2 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 90 | S | 88.2 | Confident | 90.5 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | trans | -133.8 | 157.8 | -179.1 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | A88 S94 | A88-S90 PolarHBondContact O-N 2.96Å; S90-S94 WeakPolarHBondContact CB-O 3.49Å; S90-S94 PolarHBondContact OG-O 3.32Å | ||
| 91 | P | 86.9 | Confident | 90.9 | Very high | 93 Ų | 93 | 68 Ų | 68 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | trans | -55.4 | 159.9 | 168.4 | -25.2 | 33.4 | 0 | 0 | 0 | 112.9 | D93 S94 | P91-D93 PolarHBondContact O-N 3.45Å; P91-D93 VanDerWaalsContact O-N 3.11Å; P91-S94 PolarHBondContact O-N 3.49Å | ||
| 92 | K | 80.3 | Confident | 91.5 | Very high | 196 Ų | 196 | 65.7 Ų | 65.7 | 85% | 0.852 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.8 | -176.6 | -75.3 | -173.1 | 176.7 | -177.3 | 0 | 114.7 | ||
| 93 | D | 87.2 | Confident | 91.9 | Very high | 61 Ų | 61 | 63.9 Ų | 63.9 | 33% | 0.326 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 24.1 | -178.4 | -59.5 | -46.8 | 0 | 0 | 0 | 111.5 | L47 K49 P91 | L47-D93 PolarHBondContact N-O 3.02Å; L47-D93 WeakPolarHBondContact O-CB 3.42Å; K49-D93 IonicContact NZ-OD1 2.87Å; K49-D93 PolarHBondContact NZ-OD1 2.94Å; K49-D93 IonicContact NZ-OD2 3.52Å; K49-D93 PolarHBondContact NZ-OD2 2.86Å; P91-D93 PolarHBondContact O-N 3.45Å; P91-D93 VanDerWaalsContact O-N 3.11Å |
| 94 | S | 92.9 | Very high | 92.4 | Very high | 16 Ų | 16 | 58.9 Ų | 58.9 | 11% | 0.112 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.3 | 177.5 | -62.7 | 0 | 0 | 0 | 0 | 110.7 | C45 T46 S90 P91 | C45-S94 CarbonylContact O-C 3.49Å; C45-S94 VanDerWaalsContact O-CA 3.25Å; C45-S94 WeakPolarHBondContact O-CA 3.05Å; T46-S94 PolarHBondContact OG1-OG 3.44Å; S90-S94 WeakPolarHBondContact CB-O 3.49Å; S90-S94 PolarHBondContact OG-O 3.32Å; P91-S94 PolarHBondContact O-N 3.49Å |
| 95 | S | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 138.8 | 167.8 | -175 | 0 | 0 | 0 | 0 | 108.9 | T44 C45 W60 Y71 | T44-S95 WeakPolarHBondContact CA-O 3.37Å; C45-S95 PolarHBondContact N-O 2.89Å; C45-S95 PolarHBondContact O-N 3.25Å; W60-S95 PolarHBondContact NE1-OG 3.23Å; Y71-S95 WeakPolarHBondContact OH-CB 3.37Å; Y71-S95 PolarHBondContact OH-OG 3.33Å |
| 96 | A | 95.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 66.9 Ų | 66.9 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T42 L43 T44 L87 A88 | T42-A96 HydrophobicContact CG2-CB 3.78Å; L43-A96 CarbonylContact O-C 3.44Å; L43-A96 WeakPolarHBondContact O-CA 3.46Å; T44-A96 HydrophobicContact CG2-CB 4.44Å; L87-A96 WeakPolarHBondContact CD1-O 3.43Å; A88-A96 HydrophobicContact CB-CB 3.82Å; A88-A96 PolarHBondContact N-O 3.26Å |
| 97 | I | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.8 | 173.7 | 58.8 | 165.7 | 0 | 0 | 0 | 109.3 | T42 L43 W60 L68 L69 V85 E86 | T42-I97 CarbonylContact C-O 3.45Å; T42-I97 VanDerWaalsContact CA-O 3.25Å; T42-I97 WeakPolarHBondContact CA-O 3.42Å; L43-I97 HydrophobicContact CB-CG1 3.97Å; L43-I97 HydrophobicContact CD1-CD1 4.24Å; L43-I97 HydrophobicContact CD1-CG1 4.43Å; L43-I97 PolarHBondContact N-O 2.91Å; L43-I97 PolarHBondContact O-N 3.35Å; W60-I97 HydrophobicContact CB-CD1 3.91Å; W60-I97 HydrophobicContact CD2-CD1 3.54Å; W60-I97 HydrophobicContact CD2-CG1 3.76Å; W60-I97 HydrophobicContact CD2-CG2 4.1Å; W60-I97 HydrophobicContact CE3-CD1 3.5Å; W60-I97 HydrophobicContact CE3-CG1 3.86Å; W60-I97 HydrophobicContact CG-CD1 3.73Å; W60-I97 HydrophobicContact CG-CG1 4.22Å; W60-I97 HydrophobicContact CG-CG2 3.88Å; W60-I97 HydrophobicContact CH2-CG1 4.36Å; W60-I97 HydrophobicContact CZ2-CG1 4.3Å; W60-I97 HydrophobicContact CZ3-CD1 4.2Å; W60-I97 HydrophobicContact CZ3-CG1 4.16Å; L68-I97 HydrophobicContact CD1-CD1 4.45Å; L69-I97 HydrophobicContact CB-CG2 4.41Å; L69-I97 HydrophobicContact CD1-CG2 4.31Å; L69-I97 HydrophobicContact CD2-CG2 4.19Å; V85-I97 HydrophobicContact CG1-CB 3.84Å; V85-I97 HydrophobicContact CG1-CD1 3.94Å; V85-I97 HydrophobicContact CG1-CG1 4.35Å; V85-I97 HydrophobicContact CG1-CG2 4.45Å; E86-I97 CarbonylContact O-C 3.45Å; E86-I97 WeakPolarHBondContact O-CA 3.39Å |
| 98 | T | 96.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.3 | 177.3 | -64.1 | 0 | 0 | 0 | 0 | 109.6 | P40 F41 T42 V85 E86 | P40-T98 HydrophobicContact CB-CG2 4.02Å; F41-T98 CarbonylContact O-C 3.57Å; F41-T98 WeakPolarHBondContact O-CA 3.3Å; T42-T98 PolarHBondContact OG1-OG1 3.24Å; V85-T98 WeakPolarHBondContact CA-O 3.49Å; E86-T98 PolarHBondContact N-O 3.42Å; E86-T98 PolarHBondContact O-N 2.77Å |
| 99 | I | 96.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.1 | 164.3 | -58.5 | 172.4 | 0 | 0 | 0 | 106.2 | P40 F41 L43 V85 V102 D106 L128 | P40-I99 CarbonylContact C-O 3.56Å; P40-I99 WeakPolarHBondContact CA-O 3.32Å; F41-I99 PolarHBondContact N-O 2.86Å; F41-I99 PolarHBondContact O-N 3.39Å; L43-I99 HydrophobicContact CD1-CD1 4.47Å; V85-I99 HydrophobicContact CG2-CG1 4.43Å; I99-V102 HydrophobicContact CB-CG2 4Å; I99-V102 HydrophobicContact CG2-CG2 3.88Å; I99-D106 HydrophobicContact CD1-CB 4.25Å; I99-L128 HydrophobicContact CD1-CD2 3.84Å |
| 100 | R | 94.4 | Very high | 93.2 | Very high | 129 Ų | 129 | 58.4 Ų | 58.4 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -67.3 | -39.8 | -170.3 | -71.3 | 178.5 | 169.8 | 167.5 | -3.5 | 113.6 | P40 Q83 H84 E86 | P40-R100 WeakPolarHBondContact CA-O 3.48Å; P40-R100 WeakPolarHBondContact CB-O 3.3Å; Q83-R100 PolarHBondContact O-NH1 3.33Å; H84-R100 PolarHBondContact O-N 3.26Å; E86-R100 HydrophobicContact CG-CG 4.46Å; E86-R100 IonicContact OE2-CZ 3.9Å; E86-R100 VanDerWaalsContact OE2-CZ 3.28Å; E86-R100 IonicContact OE2-NE 2.78Å; E86-R100 PolarHBondContact OE2-NE 2.87Å; E86-R100 IonicContact OE2-NH2 3.09Å; E86-R100 PolarHBondContact OE2-NH2 2.98Å |
| 101 | R | 95.4 | Very high | 93.7 | Very high | 191 Ų | 191 | 57.1 Ų | 57.1 | 72% | 0.721 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -142.6 | 101.7 | 178.5 | -78 | -171.9 | -78.2 | 174.5 | -5.3 | 107.9 | ||
| 102 | V | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -70.9 | 130.8 | -179.3 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | A35 D38 K39 F41 I99 D106 V130 | A35-V102 HydrophobicContact CB-CB 4.49Å; A35-V102 HydrophobicContact CB-CG1 3.95Å; A35-V102 HydrophobicContact CB-CG2 4.22Å; D38-V102 PolarHBondContact N-O 2.96Å; K39-V102 WeakPolarHBondContact O-CG2 3.31Å; K39-V102 PolarHBondContact O-N 2.74Å; F41-V102 HydrophobicContact CB-CG2 3.5Å; I99-V102 HydrophobicContact CB-CG2 4Å; I99-V102 HydrophobicContact CG2-CG2 3.88Å; V102-D106 WeakPolarHBondContact CA-OD2 3.39Å; V102-D106 HydrophobicContact CG1-CB 4.44Å; V102-V130 HydrophobicContact CG1-CB 4.17Å; V102-V130 HydrophobicContact CG1-CG1 3.75Å; V102-V130 HydrophobicContact CG1-CG2 3.29Å | ||
| 103 | G | 94.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 44 Ų | 44 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | trans | -131.6 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R105 D106 V130 | G103-R105 PolarHBondContact O-N 3.4Å; G103-D106 PolarHBondContact N-OD2 2.99Å; G103-D106 WeakPolarHBondContact O-CB 3.45Å; G103-D106 PolarHBondContact O-N 2.88Å; G103-V130 WeakPolarHBondContact O-CG2 3.35Å | ||
| 104 | F | 94.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 41.2 Ų | 41.2 | 34% | 0.342 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -51.7 | -32.5 | 179.8 | 175.9 | -106.2 | 0 | 0 | 0 | 113.9 | D106 E107 L156 E158 K159 | F104-D106 VanDerWaalsContact C-N 3.26Å; F104-D106 PolarHBondContact O-N 3.17Å; F104-E107 PolarHBondContact O-N 3.42Å; F104-L156 HydrophobicContact CB-CD2 3.98Å; F104-E158 HydrophobicContact CD1-CB 3.73Å; F104-E158 HydrophobicContact CD1-CG 3.66Å; F104-E158 HydrophobicContact CD2-CB 4.02Å; F104-E158 HydrophobicContact CE1-CB 3.76Å; F104-E158 HydrophobicContact CE1-CG 4Å; F104-E158 HydrophobicContact CE2-CB 4.04Å; F104-E158 HydrophobicContact CG-CB 3.87Å; F104-E158 HydrophobicContact CG-CG 4.03Å; F104-E158 HydrophobicContact CZ-CB 3.91Å; F104-K159 HydrophobicContact CD2-CG 3.99Å; F104-K159 HydrophobicContact CE2-CG 3.84Å |
| 105 | R | 92.9 | Very high | 95.3 | Very high | 237 Ų | 237 | 42.6 Ų | 42.6 | 89% | 0.894 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -74.9 | -12 | -179 | -64.7 | -174.5 | 178.2 | -171.6 | -0.2 | 114.5 | G103 E107 | G103-R105 PolarHBondContact O-N 3.4Å; R105-E107 VanDerWaalsContact C-N 3.3Å |
| 106 | D | 93.8 | Very high | 95.1 | Very high | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -89.5 | 2.7 | 177.3 | -55.5 | -45.6 | 0 | 0 | 0 | 111.8 | I99 V102 G103 F104 G108 Y110 L128 | I99-D106 HydrophobicContact CD1-CB 4.25Å; V102-D106 WeakPolarHBondContact CA-OD2 3.39Å; V102-D106 HydrophobicContact CG1-CB 4.44Å; G103-D106 PolarHBondContact N-OD2 2.99Å; G103-D106 WeakPolarHBondContact O-CB 3.45Å; G103-D106 PolarHBondContact O-N 2.88Å; F104-D106 VanDerWaalsContact C-N 3.26Å; F104-D106 PolarHBondContact O-N 3.17Å; D106-G108 PolarHBondContact O-N 2.9Å; D106-Y110 WeakPolarHBondContact CA-OH 3.46Å; D106-Y110 WeakPolarHBondContact O-CE2 3.29Å; D106-Y110 PolarHBondContact O-OH 2.77Å; D106-L128 HydrophobicContact CB-CD2 4.46Å |
| 107 | E | 94.5 | Very high | 94.8 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 24% | 0.243 | 20% | 0.202 | C | C | . | . | trans | -69.1 | 127.7 | 170.3 | -69.1 | -160.6 | 133.1 | 0 | 0 | 110.7 | F104 R105 L128 T129 V130 K159 | F104-E107 PolarHBondContact O-N 3.42Å; R105-E107 VanDerWaalsContact C-N 3.3Å; E107-L128 WeakPolarHBondContact CA-O 3.31Å; E107-T129 WeakPolarHBondContact OE1-CA 3.33Å; E107-V130 HydrophobicContact CG-CB 3.99Å; E107-V130 HydrophobicContact CG-CG2 3.67Å; E107-V130 PolarHBondContact OE1-N 3.28Å; E107-K159 WeakPolarHBondContact OE1-CE 3.43Å; E107-K159 IonicContact OE1-NZ 3.93Å; E107-K159 PolarHBondContact OE1-NZ 3.1Å; E107-K159 WeakPolarHBondContact OE2-CE 3.34Å; E107-K159 IonicContact OE2-NZ 3.03Å; E107-K159 PolarHBondContact OE2-NZ 3.05Å | ||
| 108 | G | 95.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | 175.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D106 Y110 C127 L128 | D106-G108 PolarHBondContact O-N 2.9Å; G108-Y110 WeakPolarHBondContact O-CD2 3.41Å; G108-C127 CarbonylContact O-C 3.59Å; G108-C127 WeakPolarHBondContact O-CA 3.48Å; G108-L128 PolarHBondContact N-O 2.88Å; G108-L128 PolarHBondContact O-N 3.43Å |
| 109 | C | 96.8 | Very high | 94 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.5 | 175.1 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | D62 D63 Q125 C127 | D62-C109 CarbonylContact C-O 3.56Å; D63-C109 VanDerWaalsContact CA-O 3.29Å; D63-C109 WeakPolarHBondContact CA-O 3.4Å; D63-C109 PolarHBondContact N-O 2.86Å; C109-Q125 HydrophobicContact CB-CG 4.18Å; C109-C127 HydrophobicContact CB-CB 4.13Å; C109-C127 WeakPolarHBondContact CB-SG 3.44Å; C109-C127 WeakPolarHBondContact SG-CB 3.4Å; C109-C127 CovalentContact SG-SG 2.05Å; C109-C127 PolarHBondContact SG-SG 3.26Å |
| 110 | Y | 96.7 | Very high | 93.7 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.1 | -177.5 | -64.6 | -92.5 | 0 | 0 | 0 | 110 | L43 L61 D62 L68 D106 G108 Q125 T126 L128 | L43-Y110 HydrophobicContact CD1-CD1 3.87Å; L43-Y110 HydrophobicContact CD1-CD2 3.65Å; L43-Y110 HydrophobicContact CD1-CE1 4.28Å; L43-Y110 HydrophobicContact CD1-CE2 4.1Å; L43-Y110 HydrophobicContact CD1-CG 3.52Å; L61-Y110 WeakPolarHBondContact O-CA 3.48Å; D62-Y110 HydrophobicContact CB-CE1 4.4Å; L68-Y110 HydrophobicContact CD1-CD1 3.26Å; L68-Y110 HydrophobicContact CD1-CE1 3.32Å; D106-Y110 WeakPolarHBondContact CA-OH 3.46Å; D106-Y110 WeakPolarHBondContact O-CE2 3.29Å; D106-Y110 PolarHBondContact O-OH 2.77Å; G108-Y110 WeakPolarHBondContact O-CD2 3.41Å; Y110-Q125 WeakPolarHBondContact O-CA 3.48Å; Y110-T126 PolarHBondContact N-O 2.82Å; Y110-T126 PolarHBondContact O-N 2.87Å; Y110-L128 HydrophobicContact CD2-CB 4.15Å; Y110-L128 HydrophobicContact CE2-CB 3.75Å; Y110-L128 HydrophobicContact CE2-CD2 4.16Å |
| 111 | T | 97.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 8% | 0.08 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.6 | 179.5 | -54 | 0 | 0 | 0 | 0 | 109.9 | W60 L61 I113 Q123 G124 | W60-T111 CarbonylContact C-O 3.58Å; W60-T111 WeakPolarHBondContact CA-O 3.17Å; L61-T111 PolarHBondContact N-O 2.92Å; L61-T111 PolarHBondContact O-N 3.46Å; T111-I113 HydrophobicContact CG2-CD1 4.47Å; T111-I113 HydrophobicContact CG2-CG1 4Å; T111-Q123 HydrophobicContact CG2-CB 4.18Å; T111-G124 WeakPolarHBondContact CA-O 3.33Å |
| 112 | C | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.1 | 172.8 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | C45 R59 W60 F114 Q123 G124 | C45-C112 HydrophobicContact CB-CB 3.66Å; C45-C112 WeakPolarHBondContact CB-SG 3.33Å; C45-C112 WeakPolarHBondContact SG-CB 3.22Å; C45-C112 CovalentContact SG-SG 2.01Å; C45-C112 PolarHBondContact SG-SG 2.88Å; R59-C112 CarbonylContact O-C 3.57Å; R59-C112 WeakPolarHBondContact O-CA 3.45Å; W60-C112 HydrophobicContact CD2-CB 3.94Å; W60-C112 HydrophobicContact CE3-CB 3.97Å; W60-C112 HydrophobicContact CH2-CB 3.86Å; W60-C112 HydrophobicContact CZ2-CB 3.79Å; W60-C112 HydrophobicContact CZ3-CB 3.94Å; C112-F114 HydrophobicContact CB-CE2 4.28Å; C112-Q123 CarbonylContact O-C 3.52Å; C112-Q123 WeakPolarHBondContact O-CA 3.24Å; C112-Q123 WeakPolarHBondContact O-CB 3.39Å; C112-G124 PolarHBondContact N-O 2.9Å; C112-G124 PolarHBondContact O-N 3.08Å; C112-G124 PolarHBondContact SG-O 3.02Å |
| 113 | I | 95.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.7 | -175.3 | -54 | 176.8 | 0 | 0 | 0 | 108.1 | V58 R59 L61 T111 Q123 | V58-I113 CarbonylContact C-O 3.43Å; V58-I113 WeakPolarHBondContact CA-O 3.41Å; R59-I113 HydrophobicContact CB-CB 4.44Å; R59-I113 PolarHBondContact N-O 3.06Å; R59-I113 PolarHBondContact O-N 2.81Å; L61-I113 HydrophobicContact CD1-CD1 3.61Å; L61-I113 HydrophobicContact CG-CD1 4.11Å; T111-I113 HydrophobicContact CG2-CD1 4.47Å; T111-I113 HydrophobicContact CG2-CG1 4Å; I113-Q123 HydrophobicContact CG1-CB 4.09Å |
| 114 | F | 95 | Very high | 93.4 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.6 | 176.7 | -68.6 | -102.7 | 0 | 0 | 0 | 108.4 | V27 C45 L47 L55 V58 C112 S121 K122 | V27-F114 HydrophobicContact CB-CD2 4.46Å; V27-F114 HydrophobicContact CG1-CD2 3.95Å; V27-F114 HydrophobicContact CG1-CE2 3.71Å; V27-F114 HydrophobicContact CG2-CB 4.46Å; V27-F114 HydrophobicContact CG2-CD2 3.58Å; V27-F114 HydrophobicContact CG2-CE2 4.15Å; V27-F114 HydrophobicContact CG2-CG 4.26Å; C45-F114 HydrophobicContact CB-CE2 3.79Å; C45-F114 HydrophobicContact CB-CZ 4.04Å; L47-F114 HydrophobicContact CB-CD1 3.83Å; L47-F114 HydrophobicContact CB-CE1 3.87Å; L47-F114 HydrophobicContact CB-CG 4.21Å; L47-F114 HydrophobicContact CB-CZ 4.27Å; L47-F114 HydrophobicContact CD1-CB 4.34Å; L47-F114 HydrophobicContact CD1-CG 4.44Å; L47-F114 HydrophobicContact CD2-CB 4.31Å; L47-F114 HydrophobicContact CD2-CD1 3.88Å; L47-F114 HydrophobicContact CD2-CG 4.3Å; L47-F114 HydrophobicContact CG-CD1 4.34Å; L55-F114 HydrophobicContact CD1-CB 3.76Å; L55-F114 HydrophobicContact CD1-CD1 3.69Å; L55-F114 HydrophobicContact CD1-CG 4.21Å; L55-F114 HydrophobicContact CD2-CD1 3.93Å; L55-F114 HydrophobicContact CD2-CE1 4.37Å; L55-F114 HydrophobicContact CG-CD1 4.48Å; V58-F114 HydrophobicContact CG1-CE1 4.36Å; V58-F114 HydrophobicContact CG1-CZ 4.46Å; V58-F114 HydrophobicContact CG2-CD1 3.77Å; V58-F114 HydrophobicContact CG2-CE1 3.91Å; C112-F114 HydrophobicContact CB-CE2 4.28Å; F114-S121 WeakPolarHBondContact O-CA 3.44Å; F114-K122 PolarHBondContact N-O 2.84Å; F114-K122 PolarHBondContact O-N 3.36Å |
| 115 | E | 94 | Very high | 93.5 | Very high | 45 Ų | 45 | 50.5 Ų | 50.5 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 110 | 178.2 | -63.5 | -64.5 | 165.9 | 0 | 0 | 110.1 | R56 E57 R59 S121 | R56-E115 PolarHBondContact N-O 2.97Å; E57-E115 HydrophobicContact CB-CB 4.1Å; E57-E115 HydrophobicContact CB-CG 4.2Å; E57-E115 PolarHBondContact O-N 2.84Å; R59-E115 IonicContact CZ-OE1 3.66Å; R59-E115 IonicContact NE-OE1 3.83Å; R59-E115 IonicContact NH2-OE1 2.73Å; R59-E115 PolarHBondContact NH2-OE1 2.81Å; E115-S121 WeakPolarHBondContact OE2-CB 3.38Å |
| 116 | L | 91.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 147.8 | -176.3 | -58.5 | 163.2 | 0 | 0 | 0 | 111.6 | L47 E53 T54 L55 G120 K122 | L47-L116 HydrophobicContact CD1-CD1 3.99Å; L47-L116 HydrophobicContact CD2-CD1 4.33Å; L47-L116 HydrophobicContact CD2-CD2 3.64Å; L47-L116 HydrophobicContact CD2-CG 4.46Å; E53-L116 HydrophobicContact CB-CD2 4.5Å; T54-L116 WeakPolarHBondContact O-CA 3.26Å; L55-L116 HydrophobicContact CB-CD2 4.05Å; L55-L116 HydrophobicContact CD1-CD2 3.9Å; L116-G120 WeakPolarHBondContact CB-O 3.4Å; L116-G120 PolarHBondContact N-O 2.87Å; L116-G120 WeakPolarHBondContact O-CA 3.11Å; L116-G120 PolarHBondContact O-N 2.03Å; L116-K122 HydrophobicContact CD1-CB 4.39Å; L116-K122 HydrophobicContact CD1-CD 3.58Å; L116-K122 HydrophobicContact CD1-CG 3.89Å |
| 117 | S | 89 | Confident | 93.8 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.7 | 170.6 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | T54 R56 | T54-S117 PolarHBondContact N-O 2.88Å; T54-S117 VanDerWaalsContact N-O 3.11Å; T54-S117 PolarHBondContact O-N 3.27Å; R56-S117 PolarHBondContact NH2-OG 2.87Å |
| 118 | P | 88.4 | Confident | 93.9 | Very high | 113 Ų | 113 | 37.2 Ų | 37.2 | 73% | 0.734 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -88.9 | -4.7 | 2.7 | 35.6 | -35.4 | 0 | 0 | 0 | 115.7 | G120 | P118-G120 VanDerWaalsContact C-N 3.27Å; P118-G120 PolarHBondContact O-N 2.86Å; P118-G120 VanDerWaalsContact O-N 3.16Å |
| 119 | S | 86.3 | Confident | 93.9 | Very high | 65 Ų | 65 | 39.3 Ų | 39.3 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -6.9 | -164.9 | -50.2 | 0 | 0 | 0 | 0 | 116.9 | E53 | E53-S119 WeakPolarHBondContact CG-OG 3.3Å; E53-S119 WeakPolarHBondContact OE1-CB 3.32Å; E53-S119 PolarHBondContact OE1-OG 2.87Å |
| 120 | G | 89.1 | Confident | 93.8 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 82 | -159.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L116 P118 | L116-G120 WeakPolarHBondContact CB-O 3.4Å; L116-G120 PolarHBondContact N-O 2.87Å; L116-G120 WeakPolarHBondContact O-CA 3.11Å; L116-G120 PolarHBondContact O-N 2.03Å; P118-G120 VanDerWaalsContact C-N 3.27Å; P118-G120 PolarHBondContact O-N 2.86Å; P118-G120 VanDerWaalsContact O-N 3.16Å |
| 121 | S | 92.1 | Very high | 93.6 | Very high | 70 Ų | 70 | 38.1 Ų | 38.1 | 49% | 0.49 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 137.8 | -174.6 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | F114 E115 | F114-S121 WeakPolarHBondContact O-CA 3.44Å; E115-S121 WeakPolarHBondContact OE2-CB 3.38Å |
| 122 | K | 93.2 | Very high | 93.4 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.1 | 168.6 | -61.5 | -174.5 | 179.9 | -179.4 | 0 | 108.7 | G25 V27 L47 D50 E53 F114 L116 | G25-K122 VanDerWaalsContact CA-NZ 3.31Å; G25-K122 VanDerWaalsContact O-CD 3.24Å; G25-K122 WeakPolarHBondContact O-CD 3.47Å; G25-K122 WeakPolarHBondContact O-CE 3.21Å; G25-K122 PolarHBondContact O-NZ 2.94Å; V27-K122 HydrophobicContact CG2-CB 3.72Å; L47-K122 HydrophobicContact CD1-CD 4.41Å; D50-K122 IonicContact OD2-NZ 3.27Å; D50-K122 PolarHBondContact OD2-NZ 2.94Å; E53-K122 IonicContact OE1-NZ 3.05Å; E53-K122 PolarHBondContact OE1-NZ 3.2Å; E53-K122 IonicContact OE2-NZ 3.58Å; F114-K122 PolarHBondContact N-O 2.84Å; F114-K122 PolarHBondContact O-N 3.36Å; L116-K122 HydrophobicContact CD1-CB 4.39Å; L116-K122 HydrophobicContact CD1-CD 3.58Å; L116-K122 HydrophobicContact CD1-CG 3.89Å |
| 123 | Q | 94.7 | Very high | 93.3 | Very high | 125 Ų | 125 | 45.4 Ų | 45.4 | 58% | 0.584 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.3 | -174.2 | 68.5 | -176.3 | 51.1 | 0 | 0 | 113.7 | T111 C112 I113 | T111-Q123 HydrophobicContact CG2-CB 4.18Å; C112-Q123 CarbonylContact O-C 3.52Å; C112-Q123 WeakPolarHBondContact O-CA 3.24Å; C112-Q123 WeakPolarHBondContact O-CB 3.39Å; I113-Q123 HydrophobicContact CG1-CB 4.09Å |
| 124 | G | 94.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 159.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T111 C112 | T111-G124 WeakPolarHBondContact CA-O 3.33Å; C112-G124 PolarHBondContact N-O 2.9Å; C112-G124 PolarHBondContact O-N 3.08Å; C112-G124 PolarHBondContact SG-O 3.02Å |
| 125 | Q | 95.6 | Very high | 93.4 | Very high | 116 Ų | 116 | 49 Ų | 49 | 54% | 0.542 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138 | -179.4 | -170 | 177.4 | 53.4 | 0 | 0 | 110.3 | C109 Y110 | C109-Q125 HydrophobicContact CB-CG 4.18Å; Y110-Q125 WeakPolarHBondContact O-CA 3.48Å |
| 126 | T | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.1 | 174.4 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | P30 L33 L43 W60 Y110 | P30-T126 WeakPolarHBondContact O-CA 3.43Å; P30-T126 WeakPolarHBondContact O-CB 3.48Å; P30-T126 PolarHBondContact O-OG1 2.84Å; L33-T126 WeakPolarHBondContact CD1-OG1 3.16Å; L43-T126 HydrophobicContact CB-CG2 4.44Å; L43-T126 HydrophobicContact CD2-CG2 4.32Å; W60-T126 HydrophobicContact CZ3-CG2 4.28Å; Y110-T126 PolarHBondContact N-O 2.82Å; Y110-T126 PolarHBondContact O-N 2.87Å |
| 127 | C | 96.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.5 | 176.5 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | A31 R32 L33 G108 C109 | A31-C127 PolarHBondContact O-N 2.82Å; R32-C127 CarbonylContact C-O 3.6Å; R32-C127 WeakPolarHBondContact CA-O 3Å; L33-C127 PolarHBondContact N-O 3.46Å; G108-C127 CarbonylContact O-C 3.59Å; G108-C127 WeakPolarHBondContact O-CA 3.48Å; C109-C127 HydrophobicContact CB-CB 4.13Å; C109-C127 WeakPolarHBondContact CB-SG 3.44Å; C109-C127 WeakPolarHBondContact SG-CB 3.4Å; C109-C127 CovalentContact SG-SG 2.05Å; C109-C127 PolarHBondContact SG-SG 3.26Å |
| 128 | L | 96.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.7 | 178.7 | -171.8 | 62 | 0 | 0 | 0 | 109.8 | L33 A35 F41 L43 I99 D106 E107 G108 Y110 | L33-L128 HydrophobicContact CB-CD1 4.03Å; L33-L128 WeakPolarHBondContact O-CA 3.15Å; A35-L128 HydrophobicContact CB-CD1 3.67Å; A35-L128 HydrophobicContact CB-CG 4.41Å; F41-L128 HydrophobicContact CD1-CD1 3.74Å; F41-L128 HydrophobicContact CE1-CD1 3.58Å; F41-L128 HydrophobicContact CZ-CD1 4.35Å; L43-L128 HydrophobicContact CD2-CD1 4.26Å; I99-L128 HydrophobicContact CD1-CD2 3.84Å; D106-L128 HydrophobicContact CB-CD2 4.46Å; E107-L128 WeakPolarHBondContact CA-O 3.31Å; G108-L128 PolarHBondContact N-O 2.88Å; G108-L128 PolarHBondContact O-N 3.43Å; Y110-L128 HydrophobicContact CD2-CB 4.15Å; Y110-L128 HydrophobicContact CE2-CB 3.75Å; Y110-L128 HydrophobicContact CE2-CD2 4.16Å |
| 129 | T | 95.2 | Very high | 94.2 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 144.7 | 163.5 | 63 | 0 | 0 | 0 | 0 | 109.2 | L33 K34 A35 E107 | L33-T129 PolarHBondContact O-N 2.68Å; L33-T129 PolarHBondContact O-OG1 3.07Å; K34-T129 CarbonylContact C-O 3.52Å; K34-T129 VanDerWaalsContact CA-O 3.28Å; K34-T129 WeakPolarHBondContact CA-O 3.43Å; A35-T129 PolarHBondContact N-O 3.23Å; E107-T129 WeakPolarHBondContact OE1-CA 3.33Å |
| 130 | V | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.4 | -176.2 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | A35 V37 V102 G103 E107 L156 K159 | A35-V130 CarbonylContact O-C 3.54Å; A35-V130 WeakPolarHBondContact O-CA 3.33Å; V37-V130 HydrophobicContact CB-CG1 3.91Å; V37-V130 HydrophobicContact CG2-CG1 4.29Å; V102-V130 HydrophobicContact CG1-CB 4.17Å; V102-V130 HydrophobicContact CG1-CG1 3.75Å; V102-V130 HydrophobicContact CG1-CG2 3.29Å; G103-V130 WeakPolarHBondContact O-CG2 3.35Å; E107-V130 HydrophobicContact CG-CB 3.99Å; E107-V130 HydrophobicContact CG-CG2 3.67Å; E107-V130 PolarHBondContact OE1-N 3.28Å; V130-L156 HydrophobicContact CB-CD1 4.49Å; V130-L156 HydrophobicContact CG1-CD1 4.08Å; V130-L156 HydrophobicContact CG1-CD2 3.94Å; V130-L156 VanDerWaalsContact O-CD1 3.27Å; V130-L156 WeakPolarHBondContact O-CD1 3.22Å; V130-K159 PolarHBondContact O-NZ 3.27Å |
| 131 | D | 93 | Very high | 95.1 | Very high | 29 Ų | 29 | 63.5 Ų | 63.5 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 153.8 | 178.8 | -159.5 | 13.6 | 0 | 0 | 0 | 111.2 | K34 A35 P36 V37 K232 | K34-D131 HydrophobicContact CD-CB 3.78Å; K34-D131 VanDerWaalsContact CE-CB 3.47Å; K34-D131 VanDerWaalsContact CE-OD2 3.23Å; K34-D131 WeakPolarHBondContact CE-OD2 3.35Å; K34-D131 HydrophobicContact CG-CB 3.86Å; K34-D131 IonicContact NZ-OD1 2.65Å; K34-D131 PolarHBondContact NZ-OD1 2.86Å; K34-D131 IonicContact NZ-OD2 2.71Å; K34-D131 PolarHBondContact NZ-OD2 3.32Å; A35-D131 PolarHBondContact O-N 3.03Å; P36-D131 WeakPolarHBondContact CA-O 3.48Å; V37-D131 PolarHBondContact N-O 3.19Å; D131-K232 IonicContact OD1-NZ 2.69Å; D131-K232 PolarHBondContact OD1-NZ 3.45Å; D131-K232 IonicContact OD2-NZ 3.48Å |
| 132 | A | 93.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 5% | 0.05 | 31% | 0.305 | C | S | . | . | trans | -136.6 | 154.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V37 F154 L156 K232 | V37-A132 HydrophobicContact CB-CB 4.45Å; V37-A132 HydrophobicContact CG1-CB 3.67Å; A132-F154 HydrophobicContact CB-CD2 3.96Å; A132-F154 HydrophobicContact CB-CE2 3.55Å; A132-F154 HydrophobicContact CB-CZ 3.96Å; A132-F154 WeakPolarHBondContact O-CE2 3.47Å; A132-L156 HydrophobicContact CB-CB 4.43Å; A132-L156 HydrophobicContact CB-CD1 3.7Å; A132-L156 HydrophobicContact CB-CG 3.85Å; A132-K232 PolarHBondContact O-NZ 3.49Å; A132-K232 VanDerWaalsContact O-NZ 3.08Å | ||
| 133 | E | 93.6 | Very high | 95.5 | Very high | 160 Ų | 160 | 60.8 Ų | 60.8 | 75% | 0.748 | 31% | 0.309 | S | S | * | . | trans | -101.5 | 148.4 | 168.2 | -65.3 | -174.9 | 169.7 | 0 | 0 | 108.9 | ||||
| 134 | V | 96.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 57 Ų | 57 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.3 | 171.3 | -179.4 | 0 | 0 | 0 | 0 | 107.1 | C152 S153 F154 Y224 K232 | V134-C152 HydrophobicContact CG1-CB 4.2Å; V134-S153 WeakPolarHBondContact CA-O 3.46Å; V134-F154 HydrophobicContact CG2-CB 4.35Å; V134-F154 HydrophobicContact CG2-CD2 3.58Å; V134-F154 HydrophobicContact CG2-CE2 4.23Å; V134-F154 HydrophobicContact CG2-CG 4.26Å; V134-Y224 HydrophobicContact CB-CD2 4.39Å; V134-Y224 HydrophobicContact CG1-CD2 3.75Å; V134-Y224 HydrophobicContact CG1-CE2 3.66Å; V134-Y224 HydrophobicContact CG2-CD2 3.62Å; V134-Y224 HydrophobicContact CG2-CE2 4.27Å; V134-Y224 HydrophobicContact CG2-CG 4.04Å; V134-K232 HydrophobicContact CG2-CB 3.52Å |
| 135 | T | 96.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 58.8 Ų | 58.8 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142 | 175.6 | 64.5 | 0 | 0 | 0 | 0 | 109.6 | C152 S153 | T135-C152 CarbonylContact O-C 3.59Å; T135-C152 WeakPolarHBondContact O-CA 3.45Å; T135-S153 PolarHBondContact N-O 3.44Å; T135-S153 PolarHBondContact O-N 3.2Å; T135-S153 PolarHBondContact OG1-OG 3.49Å |
| 136 | S | 95.7 | Very high | 95.6 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 161 | 176 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | S151 S234 V235 | S136-S151 WeakPolarHBondContact CA-O 3.42Å; S136-S234 WeakPolarHBondContact CB-OG 3.34Å; S136-S234 PolarHBondContact OG-OG 2.8Å; S136-V235 PolarHBondContact OG-O 3.01Å |
| 137 | E | 93.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 156.3 | 165 | -75.2 | 179.5 | -156.3 | 0 | 0 | 111.1 | K140 S151 V236 | E137-K140 IonicContact OE2-NZ 2.78Å; E137-K140 PolarHBondContact OE2-NZ 3.18Å; E137-S151 PolarHBondContact N-O 2.98Å; E137-S151 WeakPolarHBondContact OE1-CB 3.04Å; E137-S151 PolarHBondContact OE1-OG 3.08Å; E137-V236 WeakPolarHBondContact O-CG2 3.26Å |
| 138 | R | 95.1 | Very high | 95.7 | Very high | 230 Ų | 230 | 64.5 Ų | 64.5 | 87% | 0.868 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 162.5 | 170.5 | -57.8 | -173.8 | -148.4 | -126 | 3.2 | 110.2 | K140 | R138-K140 PolarHBondContact O-N 3.19Š|
| 139 | N | 96.6 | Very high | 95.8 | Very high | 117 Ų | 117 | 65.2 Ų | 65.2 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -48.4 | 134.3 | 173 | -67 | -11.5 | 0 | 0 | 0 | 111.3 | C237 | N139-C237 CarbonylContact C-O 3.56Å; N139-C237 VanDerWaalsContact CA-O 3.29Å; N139-C237 WeakPolarHBondContact CA-O 3.39Å; N139-C237 PolarHBondContact OD1-N 3.1Å; N139-C237 VanDerWaalsContact OD1-N 3.1Å |
| 140 | K | 95.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142.2 | -169.9 | -158.8 | 166.6 | -158 | 145.9 | 0 | 109.9 | E137 R138 S149 L150 C237 L238 S239 | E137-K140 IonicContact OE2-NZ 2.78Å; E137-K140 PolarHBondContact OE2-NZ 3.18Å; R138-K140 PolarHBondContact O-N 3.19Å; K140-S149 VanDerWaalsContact CD-O 3.3Å; K140-S149 WeakPolarHBondContact CD-O 3.43Å; K140-S149 WeakPolarHBondContact CE-O 3.3Å; K140-S149 PolarHBondContact NZ-O 2.97Å; K140-L150 HydrophobicContact CB-CD2 4.1Å; K140-L150 HydrophobicContact CD-CD2 4.03Å; K140-C237 PolarHBondContact N-O 3.38Å; K140-L238 HydrophobicContact CB-CD1 4.31Å; K140-L238 CarbonylContact O-C 3.53Å; K140-L238 WeakPolarHBondContact O-CA 3.44Å; K140-S239 PolarHBondContact O-N 3.21Å |
| 141 | T | 97 | Very high | 96 | Very high | 73 Ų | 73 | 63.2 Ų | 63.2 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.5 | 169.3 | -55 | 0 | 0 | 0 | 0 | 108.8 | S239 Y241 | T141-S239 CarbonylContact C-O 3.59Å; T141-S239 VanDerWaalsContact CA-O 3.27Å; T141-S239 WeakPolarHBondContact CA-O 3.36Å; T141-Y241 HydrophobicContact CG2-CD1 3.56Å; T141-Y241 HydrophobicContact CG2-CD2 3.68Å; T141-Y241 HydrophobicContact CG2-CE1 3.51Å; T141-Y241 HydrophobicContact CG2-CE2 3.67Å; T141-Y241 HydrophobicContact CG2-CG 3.65Å |
| 142 | A | 96.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 62 Ų | 62 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 153.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A148 V212 L238 S239 T240 Y241 | A142-A148 HydrophobicContact CB-CB 3.7Å; A142-V212 HydrophobicContact CB-CG1 4.14Å; A142-V212 HydrophobicContact CB-CG2 4.23Å; A142-L238 HydrophobicContact CB-CD1 3.77Å; A142-S239 PolarHBondContact N-O 3.03Å; A142-T240 CarbonylContact O-C 3.53Å; A142-T240 WeakPolarHBondContact O-CA 3.47Å; A142-Y241 PolarHBondContact O-N 3.39Å |
| 143 | V | 96.5 | Very high | 96.4 | Very high | 39 Ų | 39 | 63.5 Ų | 63.5 | 24% | 0.236 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 131.3 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | G145 K146 Y241 L243 | V143-G145 PolarHBondContact O-N 3.47Å; V143-K146 HydrophobicContact CB-CB 4.36Å; V143-K146 HydrophobicContact CB-CG 3.89Å; V143-K146 HydrophobicContact CG1-CG 3.92Å; V143-K146 VanDerWaalsContact O-CB 3.3Å; V143-K146 WeakPolarHBondContact O-CB 3.34Å; V143-K146 PolarHBondContact O-N 3.44Å; V143-Y241 CarbonylContact C-O 3.54Å; V143-Y241 WeakPolarHBondContact CA-O 3.28Å; V143-L243 HydrophobicContact CG1-CD1 3.78Å; V143-L243 HydrophobicContact CG1-CD2 4.45Å; V143-L243 HydrophobicContact CG1-CG 3.69Å; V143-L243 HydrophobicContact CG2-CD1 4.42Å; V143-L243 HydrophobicContact CG2-CD2 4.27Å; V143-L243 HydrophobicContact CG2-CG 4.35Å |
| 144 | S | 96.5 | Very high | 96.5 | Very high | 46 Ų | 46 | 56 Ų | 56 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 136.6 | 175.8 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | K146 V212 Y241 | S144-K146 VanDerWaalsContact C-N 3.26Å; S144-K146 PolarHBondContact O-N 2.86Å; S144-V212 CarbonylContact C-O 3.49Å; S144-V212 WeakPolarHBondContact CA-O 3.5Å; S144-V212 PolarHBondContact OG-O 2.93Å; S144-Y241 PolarHBondContact N-O 2.75Å |
| 145 | G | 95.6 | Very high | 96.4 | Very high | 48 Ų | 48 | 57 Ų | 57 | 50% | 0.495 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -7.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V143 V212 | V143-G145 PolarHBondContact O-N 3.47Å; G145-V212 PolarHBondContact N-O 2.95Å |
| 146 | K | 96.2 | Very high | 96.4 | Very high | 134 Ų | 134 | 53.4 Ų | 53.4 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -100 | 177.6 | 176.9 | -56.6 | -61.8 | -175.2 | 177.6 | 0 | 111.5 | V143 S144 V212 | V143-K146 HydrophobicContact CB-CB 4.36Å; V143-K146 HydrophobicContact CB-CG 3.89Å; V143-K146 HydrophobicContact CG1-CG 3.92Å; V143-K146 VanDerWaalsContact O-CB 3.3Å; V143-K146 WeakPolarHBondContact O-CB 3.34Å; V143-K146 PolarHBondContact O-N 3.44Å; S144-K146 VanDerWaalsContact C-N 3.26Å; S144-K146 PolarHBondContact O-N 2.86Å; K146-V212 WeakPolarHBondContact O-CG2 3.27Å; K146-V212 PolarHBondContact O-N 3.27Å |
| 147 | K | 97.3 | Very high | 96.3 | Very high | 124 Ų | 124 | 53.3 Ų | 53.3 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | trans | -85.3 | 138.8 | 174.4 | -177.6 | -177.8 | 179.2 | 179.5 | 0 | 110.1 | T208 I209 Q210 | K147-T208 HydrophobicContact CD-CG2 4.28Å; K147-T208 HydrophobicContact CG-CG2 4.07Å; K147-I209 WeakPolarHBondContact CA-O 3.17Å; K147-Q210 HydrophobicContact CB-CB 4.19Å; K147-Q210 HydrophobicContact CB-CG 4.1Å; K147-Q210 HydrophobicContact CG-CB 4.25Å | ||
| 148 | A | 97.4 | Very high | 96.4 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A142 T208 I209 V212 L238 | A142-A148 HydrophobicContact CB-CB 3.7Å; A148-T208 CarbonylContact O-C 3.59Å; A148-T208 WeakPolarHBondContact O-CA 3.37Å; A148-I209 PolarHBondContact N-O 3.48Å; A148-I209 PolarHBondContact O-N 2.86Å; A148-V212 HydrophobicContact CB-CG2 3.56Å; A148-L238 HydrophobicContact CB-CD1 4.48Å |
| 149 | S | 97.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.7 | 174.2 | -61.4 | 0 | 0 | 0 | 0 | 108.8 | K140 L207 T208 | K140-S149 VanDerWaalsContact CD-O 3.3Å; K140-S149 WeakPolarHBondContact CD-O 3.43Å; K140-S149 WeakPolarHBondContact CE-O 3.3Å; K140-S149 PolarHBondContact NZ-O 2.97Å; S149-L207 CarbonylContact C-O 3.52Å; S149-L207 VanDerWaalsContact CA-O 3.32Å; S149-L207 WeakPolarHBondContact CA-O 3.49Å; S149-T208 PolarHBondContact OG-OG1 2.9Å |
| 150 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 138.3 | 176.6 | -56.9 | 177.2 | 0 | 0 | 0 | 107.6 | K140 W165 Q206 L207 Y220 V236 L238 | K140-L150 HydrophobicContact CB-CD2 4.1Å; K140-L150 HydrophobicContact CD-CD2 4.03Å; L150-W165 HydrophobicContact CB-CH2 4.09Å; L150-W165 HydrophobicContact CB-CZ3 4.21Å; L150-Q206 CarbonylContact O-C 3.56Å; L150-Q206 WeakPolarHBondContact O-CA 3.4Å; L150-L207 HydrophobicContact CB-CB 4.49Å; L150-L207 PolarHBondContact N-O 3.4Å; L150-L207 PolarHBondContact O-N 3.01Å; L150-Y220 HydrophobicContact CD1-CD1 4.1Å; L150-Y220 HydrophobicContact CD1-CD2 3.36Å; L150-Y220 HydrophobicContact CD1-CE2 3.89Å; L150-Y220 HydrophobicContact CD1-CG 3.47Å; L150-Y220 VanDerWaalsContact CD1-CG 3.47Å; L150-V236 HydrophobicContact CB-CG1 3.94Å; L150-V236 HydrophobicContact CD1-CG1 4.24Å; L150-V236 HydrophobicContact CD2-CG1 4.31Å; L150-V236 HydrophobicContact CD2-CG2 4.04Å; L150-V236 HydrophobicContact CG-CG1 4.39Å; L150-L238 HydrophobicContact CD2-CD1 4.46Å |
| 151 | S | 97.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.4 | -173.7 | -41.3 | 0 | 0 | 0 | 0 | 112.3 | S136 E137 S205 | S136-S151 WeakPolarHBondContact CA-O 3.42Å; E137-S151 PolarHBondContact N-O 2.98Å; E137-S151 WeakPolarHBondContact OE1-CB 3.04Å; E137-S151 PolarHBondContact OE1-OG 3.08Å; S151-S205 CarbonylContact C-O 3.51Å; S151-S205 VanDerWaalsContact CA-O 3.3Å; S151-S205 WeakPolarHBondContact CA-O 3.29Å |
| 152 | C | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 152 | 166.9 | -67.2 | 0 | 0 | 0 | 0 | 110.4 | V134 T135 W165 D204 S205 C222 Y224 | V134-C152 HydrophobicContact CG1-CB 4.2Å; T135-C152 CarbonylContact O-C 3.59Å; T135-C152 WeakPolarHBondContact O-CA 3.45Å; C152-W165 HydrophobicContact CB-CH2 4.45Å; C152-W165 HydrophobicContact CB-CZ2 4.23Å; C152-W165 VanDerWaalsContact SG-CH2 3.6Å; C152-D204 CarbonylContact O-C 3.55Å; C152-S205 PolarHBondContact N-O 3.16Å; C152-S205 PolarHBondContact O-N 3.07Å; C152-C222 HydrophobicContact CB-CB 3.69Å; C152-C222 WeakPolarHBondContact CB-SG 3.48Å; C152-C222 WeakPolarHBondContact SG-CB 3.44Å; C152-C222 CovalentContact SG-SG 2.02Å; C152-C222 PolarHBondContact SG-SG 3.29Å; C152-Y224 HydrophobicContact CB-CE2 4.03Å; C152-Y224 PolarHBondContact O-OH 3.18Å |
| 153 | S | 97.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 25% | 0.252 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 147.1 | 174.9 | 72.7 | 0 | 0 | 0 | 0 | 112.1 | V134 T135 S203 D204 | V134-S153 WeakPolarHBondContact CA-O 3.46Å; T135-S153 PolarHBondContact N-O 3.44Å; T135-S153 PolarHBondContact O-N 3.2Å; T135-S153 PolarHBondContact OG1-OG 3.49Å; S153-S203 CarbonylContact C-O 3.51Å; S153-S203 VanDerWaalsContact CA-O 3.23Å; S153-S203 WeakPolarHBondContact CA-O 3.32Å; S153-D204 WeakPolarHBondContact CB-OD1 3.39Å |
| 154 | F | 96.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 125.1 | 175.9 | -174.6 | -114.1 | 0 | 0 | 0 | 110 | A132 V134 L156 V160 S203 Y224 T226 K232 | A132-F154 HydrophobicContact CB-CD2 3.96Å; A132-F154 HydrophobicContact CB-CE2 3.55Å; A132-F154 HydrophobicContact CB-CZ 3.96Å; A132-F154 WeakPolarHBondContact O-CE2 3.47Å; V134-F154 HydrophobicContact CG2-CB 4.35Å; V134-F154 HydrophobicContact CG2-CD2 3.58Å; V134-F154 HydrophobicContact CG2-CE2 4.23Å; V134-F154 HydrophobicContact CG2-CG 4.26Å; F154-L156 HydrophobicContact CD1-CB 4.27Å; F154-L156 HydrophobicContact CE1-CB 3.7Å; F154-L156 WeakPolarHBondContact CE1-O 3.36Å; F154-L156 HydrophobicContact CZ-CB 4.18Å; F154-L156 PolarHBondContact O-N 2.92Å; F154-V160 HydrophobicContact CD1-CG2 3.44Å; F154-V160 VanDerWaalsContact CD1-CG2 3.44Å; F154-V160 HydrophobicContact CE1-CG2 3.75Å; F154-S203 PolarHBondContact N-O 3.11Å; F154-Y224 HydrophobicContact CB-CD1 3.52Å; F154-Y224 HydrophobicContact CB-CD2 4.39Å; F154-Y224 HydrophobicContact CB-CE1 3.36Å; F154-Y224 HydrophobicContact CB-CE2 4.28Å; F154-Y224 HydrophobicContact CB-CG 4.03Å; F154-Y224 HydrophobicContact CD1-CD1 4.05Å; F154-Y224 AromaticContact CG-CD1 3.94Å; F154-Y224 HydrophobicContact CG-CD1 3.94Å; F154-Y224 HydrophobicContact CG-CE1 4.27Å; F154-Y224 HydrophobicContact CG-CG 4.29Å; F154-T226 HydrophobicContact CE1-CG2 4.23Å; F154-T226 HydrophobicContact CZ-CG2 4.23Å; F154-K232 HydrophobicContact CE2-CB 4.4Å; F154-K232 HydrophobicContact CE2-CG 4.15Å; F154-K232 HydrophobicContact CZ-CG 4.48Å |
| 155 | G | 94.8 | Very high | 96.5 | Very high | 37 Ų | 37 | 34.3 Ų | 34.3 | 38% | 0.381 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -77.1 | 3.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 156 | L | 95.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -131.8 | 61.9 | -179.5 | -64.2 | 169.6 | 0 | 0 | 0 | 111.1 | V37 F104 V130 A132 F154 E158 K159 | V37-L156 HydrophobicContact CB-CD2 4.21Å; V37-L156 HydrophobicContact CB-CG 4.3Å; V37-L156 HydrophobicContact CG2-CD2 3.78Å; V37-L156 HydrophobicContact CG2-CG 4.26Å; F104-L156 HydrophobicContact CB-CD2 3.98Å; V130-L156 HydrophobicContact CB-CD1 4.49Å; V130-L156 HydrophobicContact CG1-CD1 4.08Å; V130-L156 HydrophobicContact CG1-CD2 3.94Å; V130-L156 VanDerWaalsContact O-CD1 3.27Å; V130-L156 WeakPolarHBondContact O-CD1 3.22Å; A132-L156 HydrophobicContact CB-CB 4.43Å; A132-L156 HydrophobicContact CB-CD1 3.7Å; A132-L156 HydrophobicContact CB-CG 3.85Å; F154-L156 HydrophobicContact CD1-CB 4.27Å; F154-L156 HydrophobicContact CE1-CB 3.7Å; F154-L156 WeakPolarHBondContact CE1-O 3.36Å; F154-L156 HydrophobicContact CZ-CB 4.18Å; F154-L156 PolarHBondContact O-N 2.92Å; L156-E158 PolarHBondContact O-N 2.92Å; L156-E158 VanDerWaalsContact O-N 3.1Å; L156-K159 HydrophobicContact CB-CD 4.23Å; L156-K159 HydrophobicContact CB-CG 4.33Å; L156-K159 HydrophobicContact CD1-CD 4.07Å; L156-K159 PolarHBondContact O-N 2.96Å | ||
| 157 | P | 94.7 | Very high | 96.7 | Very high | 37 Ų | 37 | 28.6 Ų | 28.6 | 24% | 0.24 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -58.5 | -25.2 | -176.8 | 26 | -36 | 0 | 0 | 0 | 113.3 | K159 V160 L202 | P157-K159 PolarHBondContact O-N 2.84Å; P157-V160 PolarHBondContact O-N 2.8Å; P157-L202 HydrophobicContact CB-CB 4.04Å |
| 158 | E | 94.6 | Very high | 96.8 | Very high | 92 Ų | 92 | 25 Ų | 25 | 43% | 0.43 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -60.5 | -33.4 | 177.6 | -62.2 | 84.3 | 174.5 | 0 | 0 | 112.3 | F104 L156 K182 | F104-E158 HydrophobicContact CD1-CB 3.73Å; F104-E158 HydrophobicContact CD1-CG 3.66Å; F104-E158 HydrophobicContact CD2-CB 4.02Å; F104-E158 HydrophobicContact CE1-CB 3.76Å; F104-E158 HydrophobicContact CE1-CG 4Å; F104-E158 HydrophobicContact CE2-CB 4.04Å; F104-E158 HydrophobicContact CG-CB 3.87Å; F104-E158 HydrophobicContact CG-CG 4.03Å; F104-E158 HydrophobicContact CZ-CB 3.91Å; L156-E158 PolarHBondContact O-N 2.92Å; L156-E158 VanDerWaalsContact O-N 3.1Å; E158-K182 PolarHBondContact O-NZ 2.86Å |
| 159 | K | 94.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 6% | 0.057 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -81.7 | -16.7 | -179.3 | -65.5 | -171 | 171.4 | -173.4 | 0 | 113.8 | F104 E107 V130 L156 P157 T226 H227 E229 | F104-K159 HydrophobicContact CD2-CG 3.99Å; F104-K159 HydrophobicContact CE2-CG 3.84Å; E107-K159 WeakPolarHBondContact OE1-CE 3.43Å; E107-K159 IonicContact OE1-NZ 3.93Å; E107-K159 PolarHBondContact OE1-NZ 3.1Å; E107-K159 WeakPolarHBondContact OE2-CE 3.34Å; E107-K159 IonicContact OE2-NZ 3.03Å; E107-K159 PolarHBondContact OE2-NZ 3.05Å; V130-K159 PolarHBondContact O-NZ 3.27Å; L156-K159 HydrophobicContact CB-CD 4.23Å; L156-K159 HydrophobicContact CB-CG 4.33Å; L156-K159 HydrophobicContact CD1-CD 4.07Å; L156-K159 PolarHBondContact O-N 2.96Å; P157-K159 PolarHBondContact O-N 2.84Å; K159-T226 VanDerWaalsContact O-CA 3.31Å; K159-T226 WeakPolarHBondContact O-CA 3.25Å; K159-H227 PolarHBondContact O-N 2.9Å; K159-E229 IonicContact NZ-OE1 3.24Å; K159-E229 PolarHBondContact NZ-OE1 3.01Å |
| 160 | V | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 132.7 | -174.8 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | F154 P157 I163 L202 Y224 | F154-V160 HydrophobicContact CD1-CG2 3.44Å; F154-V160 VanDerWaalsContact CD1-CG2 3.44Å; F154-V160 HydrophobicContact CE1-CG2 3.75Å; P157-V160 PolarHBondContact O-N 2.8Å; V160-I163 HydrophobicContact CG1-CG1 4.01Å; V160-L202 HydrophobicContact CB-CB 4.35Å; V160-L202 HydrophobicContact CB-CD2 4.35Å; V160-L202 HydrophobicContact CG1-CD2 3.87Å; V160-Y224 HydrophobicContact CG1-CD1 3.89Å; V160-Y224 HydrophobicContact CG2-CD1 3.76Å |
| 161 | Q | 95.9 | Very high | 95.6 | Very high | 80 Ų | 80 | 38.9 Ų | 38.9 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -38.6 | 172.9 | -62.4 | -57.2 | -39.5 | 0 | 0 | 111.6 | K182 E225 H227 | Q161-K182 WeakPolarHBondContact O-CB 3.46Å; Q161-K182 PolarHBondContact O-N 3.09Å; Q161-E225 PolarHBondContact N-O 2.89Å; Q161-H227 HydrophobicContact CG-CB 4.15Å |
| 162 | Q | 96.8 | Very high | 95.2 | Very high | 54 Ų | 54 | 40.8 Ų | 40.8 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 147 | -178.7 | -178.9 | 172.6 | -72.6 | 0 | 0 | 110.7 | F180 A181 E225 | Q162-F180 CarbonylContact C-O 3.54Å; Q162-F180 WeakPolarHBondContact CA-O 3.16Å; Q162-A181 HydrophobicContact CG-CB 4.43Å; Q162-E225 HydrophobicContact CB-CB 4.28Å; Q162-E225 PolarHBondContact NE2-OE1 2.84Å; Q162-E225 PolarHBondContact O-N 3.42Å |
| 163 | I | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 134 | 164.6 | -60.9 | 162.2 | 0 | 0 | 0 | 108.4 | V160 S179 F180 S201 L202 F223 Y224 | V160-I163 HydrophobicContact CG1-CG1 4.01Å; I163-S179 CarbonylContact O-C 3.58Å; I163-S179 WeakPolarHBondContact O-CA 3.32Å; I163-F180 PolarHBondContact N-O 2.78Å; I163-F180 PolarHBondContact O-N 2.99Å; I163-S201 WeakPolarHBondContact CD1-O 3.42Å; I163-L202 HydrophobicContact CD1-CD2 4.1Å; I163-L202 HydrophobicContact CG1-CD2 4.33Å; I163-F223 CarbonylContact C-O 3.56Å; I163-F223 VanDerWaalsContact CA-O 3.24Å; I163-F223 WeakPolarHBondContact CA-O 3.31Å; I163-Y224 HydrophobicContact CD1-CD1 4.11Å; I163-Y224 HydrophobicContact CD1-CE1 3.57Å; I163-Y224 HydrophobicContact CG1-CD1 3.74Å; I163-Y224 HydrophobicContact CG1-CE1 3.71Å; I163-Y224 HydrophobicContact CG1-CG 4.26Å |
| 164 | L | 98.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 49.7 Ų | 49.7 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.2 | 177.6 | 175.3 | 64.9 | 0 | 0 | 0 | 110 | K166 E176 C222 F223 | L164-K166 HydrophobicContact CD2-CG 4.41Å; L164-K166 HydrophobicContact CG-CG 4.27Å; L164-E176 HydrophobicContact CD1-CB 4.32Å; L164-E176 HydrophobicContact CD1-CG 4.03Å; L164-C222 CarbonylContact O-C 3.58Å; L164-F223 HydrophobicContact CB-CB 4.27Å; L164-F223 PolarHBondContact N-O 3.35Å; L164-F223 PolarHBondContact O-N 3.16Å |
| 165 | W | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.5 | 172.1 | -78.4 | 85.3 | 0 | 0 | 0 | 110 | L150 C152 V177 A178 L198 S205 L207 T221 C222 V236 | L150-W165 HydrophobicContact CB-CH2 4.09Å; L150-W165 HydrophobicContact CB-CZ3 4.21Å; C152-W165 HydrophobicContact CB-CH2 4.45Å; C152-W165 HydrophobicContact CB-CZ2 4.23Å; C152-W165 VanDerWaalsContact SG-CH2 3.6Å; W165-V177 HydrophobicContact CB-CB 4.34Å; W165-V177 PolarHBondContact O-N 3.4Å; W165-A178 PolarHBondContact N-O 2.91Å; W165-L198 VanDerWaalsContact CD1-CD1 3.47Å; W165-S205 PolarHBondContact NE1-OG 2.63Å; W165-L207 HydrophobicContact CB-CD1 4.42Å; W165-L207 HydrophobicContact CB-CD2 4.31Å; W165-L207 HydrophobicContact CD2-CB 3.93Å; W165-L207 HydrophobicContact CD2-CD2 3.98Å; W165-L207 HydrophobicContact CD2-CG 4.4Å; W165-L207 HydrophobicContact CE3-CB 4.2Å; W165-L207 HydrophobicContact CE3-CD2 3.8Å; W165-L207 HydrophobicContact CG-CB 4.4Å; W165-L207 HydrophobicContact CG-CD1 4.27Å; W165-L207 HydrophobicContact CG-CD2 4.23Å; W165-L207 HydrophobicContact CH2-CB 4.35Å; W165-L207 HydrophobicContact CZ2-CB 4.1Å; W165-L207 HydrophobicContact CZ3-CB 4.4Å; W165-L207 HydrophobicContact CZ3-CD2 4.41Å; W165-T221 WeakPolarHBondContact CA-O 3.47Å; W165-C222 HydrophobicContact CD2-CB 4.01Å; W165-C222 HydrophobicContact CE3-CB 4.15Å; W165-C222 HydrophobicContact CH2-CB 3.93Å; W165-C222 HydrophobicContact CZ2-CB 3.75Å; W165-C222 HydrophobicContact CZ3-CB 4.11Å; W165-V236 HydrophobicContact CH2-CG1 4.24Å; W165-V236 HydrophobicContact CZ3-CG1 3.98Å |
| 166 | K | 98.5 | Very high | 95.1 | Very high | 52 Ų | 52 | 55 Ų | 55 | 23% | 0.226 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143 | 170.2 | -57.9 | -160.9 | 177.3 | -148.3 | 0 | 111.2 | L164 S174 T175 E176 Y220 T221 F223 | L164-K166 HydrophobicContact CD2-CG 4.41Å; L164-K166 HydrophobicContact CG-CG 4.27Å; K166-S174 WeakPolarHBondContact CB-OG 3.41Å; K166-T175 CarbonylContact C-O 3.22Å; K166-T175 WeakPolarHBondContact CA-O 3.32Å; K166-T175 WeakPolarHBondContact CB-O 3.43Å; K166-E176 HydrophobicContact CD-CG 4.23Å; K166-E176 WeakPolarHBondContact CE-OE1 3.34Å; K166-E176 HydrophobicContact CG-CG 4.18Å; K166-E176 IonicContact NZ-OE1 3.62Å; K166-E176 PolarHBondContact NZ-OE1 3.25Å; K166-Y220 CarbonylContact O-C 3.47Å; K166-Y220 VanDerWaalsContact O-CA 3.25Å; K166-Y220 WeakPolarHBondContact O-CA 3.03Å; K166-T221 PolarHBondContact N-O 2.84Å; K166-T221 PolarHBondContact O-N 2.96Å; K166-F223 HydrophobicContact CB-CE2 4.04Å; K166-F223 HydrophobicContact CD-CD2 4.47Å; K166-F223 HydrophobicContact CD-CE2 3.88Å; K166-F223 HydrophobicContact CG-CD2 4.1Å; K166-F223 HydrophobicContact CG-CE2 3.76Å |
| 167 | H | 98.2 | Very high | 95.2 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.046 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 133.9 | 171.3 | 174.7 | -131.8 | 0 | 0 | 0 | 108.9 | S174 T175 V177 Y192 Q215 D216 E217 Y220 | H167-S174 CarbonylContact O-C 3.58Å; H167-S174 VanDerWaalsContact O-CA 3.25Å; H167-S174 WeakPolarHBondContact O-CA 3.19Å; H167-S174 PolarHBondContact O-OG 2.87Å; H167-T175 PolarHBondContact N-O 3.05Å; H167-T175 PolarHBondContact O-N 3.3Å; H167-V177 HydrophobicContact CB-CG2 3.46Å; H167-V177 VanDerWaalsContact CB-CG2 3.46Å; H167-Y192 PolarHBondContact ND1-OH 3.35Å; H167-Q215 PolarHBondContact CE1-O 3.04Å; H167-D216 PolarHBondContact NE2-O 2.63Å; H167-E217 PolarHBondContact NE2-O 2.02Å; H167-Y220 HydrophobicContact CB-CD1 4.02Å; H167-Y220 HydrophobicContact CB-CE1 3.74Å; H167-Y220 AromaticContact CD2-CE1 3.72Å; H167-Y220 AromaticContact CD2-CE2 3.54Å; H167-Y220 AromaticContact CD2-CZ 3.36Å; H167-Y220 AromaticContact CG-CE1 3.9Å; H167-Y220 AromaticContact CG-CZ 3.92Å; H167-Y220 AromaticContact NE2-CZ 3.95Å |
| 168 | T | 97.8 | Very high | 95.4 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 103.8 | 174.5 | -48.8 | 0 | 0 | 0 | 0 | 107.5 | S174 G218 C219 | T168-S174 PolarHBondContact OG1-OG 2.77Å; T168-G218 CarbonylContact O-C 3.54Å; T168-G218 WeakPolarHBondContact O-CA 3.4Å; T168-C219 PolarHBondContact N-O 3.13Å; T168-C219 PolarHBondContact O-N 3.05Å |
| 169 | P | 95 | Very high | 95.6 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 25% | 0.247 | 29% | 0.285 | C | S | . | . | trans | -65.6 | 163.4 | 175.3 | 29.2 | -34.1 | 0 | 0 | 0 | 110.3 | Q171 E173 | P169-Q171 PolarHBondContact O-N 2.84Å; P169-Q171 VanDerWaalsContact O-N 3.15Å; P169-E173 WeakPolarHBondContact CD-O 3.27Å | ||
| 170 | A | 89.1 | Confident | 95.8 | Very high | 94 Ų | 94 | 50 Ų | 50 | 78% | 0.777 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -59 | -28.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 171 | Q | 85 | Confident | 95.8 | Very high | 185 Ų | 185 | 51.3 Ų | 51.3 | 86% | 0.864 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -137.2 | 107.4 | 177.1 | -64.4 | 167.2 | 14.4 | 0 | 0 | 107.3 | P169 | P169-Q171 PolarHBondContact O-N 2.84Å; P169-Q171 VanDerWaalsContact O-N 3.15Å |
| 172 | G | 87.3 | Confident | 95.7 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 61% | 0.608 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 146.7 | -178.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 173 | E | 92.1 | Very high | 95.5 | Very high | 171 Ų | 171 | 60.1 Ų | 60.1 | 80% | 0.799 | 33% | 0.326 | S | S | * | . | trans | -89.7 | 157.5 | 179.2 | -64.6 | -171.3 | 165.9 | 0 | 0 | 111.6 | P169 | P169-E173 WeakPolarHBondContact CD-O 3.27Š| ||
| 174 | S | 96.3 | Very high | 95.4 | Very high | 57 Ų | 57 | 62.6 Ų | 62.6 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | trans | -76.4 | 126.9 | 176.3 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | K166 H167 T168 | K166-S174 WeakPolarHBondContact CB-OG 3.41Å; H167-S174 CarbonylContact O-C 3.58Å; H167-S174 VanDerWaalsContact O-CA 3.25Å; H167-S174 WeakPolarHBondContact O-CA 3.19Å; H167-S174 PolarHBondContact O-OG 2.87Å; T168-S174 PolarHBondContact OG1-OG 2.77Å | ||
| 175 | T | 97.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 68.6 Ų | 68.6 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 154.3 | 177.5 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | K166 H167 | K166-T175 CarbonylContact C-O 3.22Å; K166-T175 WeakPolarHBondContact CA-O 3.32Å; K166-T175 WeakPolarHBondContact CB-O 3.43Å; H167-T175 PolarHBondContact N-O 3.05Å; H167-T175 PolarHBondContact O-N 3.3Å |
| 176 | E | 98.1 | Very high | 95.2 | Very high | 84 Ų | 84 | 70.7 Ų | 70.7 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 145 | 174 | -65.4 | -177.1 | -179.4 | 0 | 0 | 110.1 | L164 K166 E189 Y192 | L164-E176 HydrophobicContact CD1-CB 4.32Å; L164-E176 HydrophobicContact CD1-CG 4.03Å; K166-E176 HydrophobicContact CD-CG 4.23Å; K166-E176 WeakPolarHBondContact CE-OE1 3.34Å; K166-E176 HydrophobicContact CG-CG 4.18Å; K166-E176 IonicContact NZ-OE1 3.62Å; K166-E176 PolarHBondContact NZ-OE1 3.25Å; E176-E189 HydrophobicContact CB-CG 4.01Å; E176-E189 WeakPolarHBondContact O-CG 3.38Å; E176-Y192 WeakPolarHBondContact O-CE2 3.29Å |
| 177 | V | 98.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.006 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -51.2 | -177.3 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | W165 H167 E189 Y192 V196 L207 Y220 | W165-V177 HydrophobicContact CB-CB 4.34Å; W165-V177 PolarHBondContact O-N 3.4Å; H167-V177 HydrophobicContact CB-CG2 3.46Å; H167-V177 VanDerWaalsContact CB-CG2 3.46Å; V177-E189 WeakPolarHBondContact O-CB 3.37Å; V177-E189 PolarHBondContact O-N 2.77Å; V177-Y192 HydrophobicContact CB-CD2 4.39Å; V177-Y192 HydrophobicContact CB-CE2 4.24Å; V177-Y192 HydrophobicContact CG1-CD1 4.03Å; V177-Y192 HydrophobicContact CG1-CD2 4.04Å; V177-Y192 HydrophobicContact CG1-CE1 4.22Å; V177-Y192 HydrophobicContact CG1-CE2 4.22Å; V177-Y192 HydrophobicContact CG1-CG 3.93Å; V177-Y192 HydrophobicContact CG2-CE1 4.4Å; V177-Y192 HydrophobicContact CG2-CE2 4.01Å; V177-V196 HydrophobicContact CG1-CG1 4.06Å; V177-L207 HydrophobicContact CG1-CD1 4.14Å; V177-L207 HydrophobicContact CG1-CD2 4.14Å; V177-Y220 HydrophobicContact CG2-CD1 4.4Å; V177-Y220 HydrophobicContact CG2-CE1 4.22Å |
| 178 | A | 98.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.008 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 151.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | W165 M187 I188 L198 L207 | W165-A178 PolarHBondContact N-O 2.91Å; A178-M187 CarbonylContact C-O 3.55Å; A178-M187 WeakPolarHBondContact CA-O 3.36Å; A178-M187 WeakPolarHBondContact CB-O 3.3Å; A178-I188 HydrophobicContact CB-CD1 3.54Å; A178-L198 HydrophobicContact CB-CB 4Å; A178-L198 HydrophobicContact CB-CD2 3.81Å; A178-L198 HydrophobicContact CB-CG 4.43Å; A178-L207 HydrophobicContact CB-CD1 3.95Å |
| 179 | S | 98.2 | Very high | 95.3 | Very high | 20 Ų | 20 | 75.3 Ų | 75.3 | 14% | 0.14 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 155 | 173.6 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | I163 P186 M187 L198 | I163-S179 CarbonylContact O-C 3.58Å; I163-S179 WeakPolarHBondContact O-CA 3.32Å; S179-P186 WeakPolarHBondContact O-CA 3.49Å; S179-M187 PolarHBondContact N-O 3.3Å; S179-M187 PolarHBondContact O-N 3.08Å; S179-L198 VanDerWaalsContact C-CD2 3.49Å |
| 180 | F | 98.3 | Very high | 95.4 | Very high | 14 Ų | 14 | 78 Ų | 78 | 6% | 0.061 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 110.6 | 174.8 | 175.5 | -116.8 | 0 | 0 | 0 | 108.9 | Q162 I163 S184 P186 L198 A200 L202 | Q162-F180 CarbonylContact C-O 3.54Å; Q162-F180 WeakPolarHBondContact CA-O 3.16Å; I163-F180 PolarHBondContact N-O 2.78Å; I163-F180 PolarHBondContact O-N 2.99Å; F180-S184 WeakPolarHBondContact CE2-O 3.17Å; F180-P186 HydrophobicContact CD2-CB 4.34Å; F180-P186 HydrophobicContact CD2-CG 3.84Å; F180-P186 HydrophobicContact CE2-CG 4.31Å; F180-L198 HydrophobicContact CB-CD2 3.73Å; F180-L198 HydrophobicContact CB-CG 4.46Å; F180-A200 HydrophobicContact CD2-CB 4.3Å; F180-A200 HydrophobicContact CE1-CB 4.48Å; F180-A200 HydrophobicContact CE2-CB 3.59Å; F180-A200 VanDerWaalsContact CZ-C 3.41Å; F180-A200 VanDerWaalsContact CZ-CA 3.46Å; F180-A200 HydrophobicContact CZ-CB 3.71Å; F180-L202 HydrophobicContact CD1-CD2 3.81Å; F180-L202 HydrophobicContact CD1-CG 4.41Å; F180-L202 HydrophobicContact CE1-CD2 3.8Å; F180-L202 HydrophobicContact CE1-CG 3.92Å |
| 181 | A | 96.9 | Very high | 95.6 | Very high | 29 Ų | 29 | 77.5 Ų | 77.5 | 24% | 0.24 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 153.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q162 R183 S184 | Q162-A181 HydrophobicContact CG-CB 4.43Å; A181-R183 PolarHBondContact O-N 3.27Å; A181-R183 VanDerWaalsContact O-N 3.17Å; A181-S184 WeakPolarHBondContact CB-OG 3.16Å; A181-S184 PolarHBondContact N-OG 3.44Å; A181-S184 PolarHBondContact O-N 3.18Å; A181-S184 PolarHBondContact O-OG 3.1Å |
| 182 | K | 95 | Very high | 96.2 | Very high | 77 Ų | 77 | 69.9 Ų | 69.9 | 34% | 0.335 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 121.9 | 179 | -172.5 | 166.4 | -165.4 | 163.2 | 0 | 110.1 | E158 Q161 S184 L202 | E158-K182 PolarHBondContact O-NZ 2.86Å; Q161-K182 WeakPolarHBondContact O-CB 3.46Å; Q161-K182 PolarHBondContact O-N 3.09Å; K182-S184 VanDerWaalsContact C-N 3.28Å; K182-S184 PolarHBondContact O-N 3.32Å; K182-L202 HydrophobicContact CB-CD1 4Å; K182-L202 HydrophobicContact CD-CD1 4.07Å; K182-L202 HydrophobicContact CG-CD1 3.83Å |
| 183 | R | 92.4 | Very high | 96.6 | Very high | 241 Ų | 241 | 73 Ų | 73 | 91% | 0.909 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 22 | -178.4 | -50.4 | 169.4 | 179.3 | 178 | -0.4 | 114.5 | A181 | A181-R183 PolarHBondContact O-N 3.27Å; A181-R183 VanDerWaalsContact O-N 3.17Å |
| 184 | S | 95 | Very high | 96.8 | Very high | 53 Ų | 53 | 68.1 Ų | 68.1 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -107.3 | 176.2 | 166.7 | 78.9 | 0 | 0 | 0 | 0 | 110.7 | F180 A181 K182 | F180-S184 WeakPolarHBondContact CE2-O 3.17Å; A181-S184 WeakPolarHBondContact CB-OG 3.16Å; A181-S184 PolarHBondContact N-OG 3.44Å; A181-S184 PolarHBondContact O-N 3.18Å; A181-S184 PolarHBondContact O-OG 3.1Å; K182-S184 VanDerWaalsContact C-N 3.28Å; K182-S184 PolarHBondContact O-N 3.32Å |
| 185 | D | 96.1 | Very high | 96.8 | Very high | 139 Ų | 139 | 68.6 Ų | 68.6 | 74% | 0.743 | 37% | 0.374 | S | S | * | . | trans | -81.7 | 156.5 | 161.5 | -66.3 | -46.2 | 0 | 0 | 0 | 110.3 | M187 | D185-M187 PolarHBondContact O-N 3.09Š| ||
| 186 | P | 97.4 | Very high | 96.8 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 29% | 0.286 | 36% | 0.355 | S | S | . | . | trans | -61.3 | 133.2 | 169.4 | -20.7 | 32.2 | 0 | 0 | 0 | 111.5 | S179 F180 L198 A200 | S179-P186 WeakPolarHBondContact O-CA 3.49Å; F180-P186 HydrophobicContact CD2-CB 4.34Å; F180-P186 HydrophobicContact CD2-CG 3.84Å; F180-P186 HydrophobicContact CE2-CG 4.31Å; P186-L198 HydrophobicContact CB-CB 4.12Å; P186-L198 WeakPolarHBondContact CG-O 3.36Å; P186-A200 HydrophobicContact CG-CB 3.96Å | ||
| 187 | M | 98 | Very high | 96.8 | Very high | 120 Ų | 120 | 67.7 Ų | 67.7 | 59% | 0.591 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.7 | 177.3 | -173.9 | 162.3 | -174.6 | 0 | 0 | 109.7 | A178 S179 D185 | A178-M187 CarbonylContact C-O 3.55Å; A178-M187 WeakPolarHBondContact CA-O 3.36Å; A178-M187 WeakPolarHBondContact CB-O 3.3Å; S179-M187 PolarHBondContact N-O 3.3Å; S179-M187 PolarHBondContact O-N 3.08Å; D185-M187 PolarHBondContact O-N 3.09Å |
| 188 | I | 98.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 68.3 Ų | 68.3 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.8 | 179.3 | -51 | -59.1 | 0 | 0 | 0 | 108.8 | A178 Q193 V196 L198 | A178-I188 HydrophobicContact CB-CD1 3.54Å; I188-Q193 HydrophobicContact CB-CG 4.4Å; I188-Q193 HydrophobicContact CG2-CG 4.3Å; I188-Q193 PolarHBondContact O-NE2 2.87Å; I188-V196 HydrophobicContact CG2-CB 4.25Å; I188-L198 HydrophobicContact CD1-CB 3.98Å |
| 189 | E | 98.2 | Very high | 96.8 | Very high | 58 Ų | 58 | 70 Ų | 70 | 27% | 0.271 | 37% | 0.374 | S | S | . | . | trans | -63.2 | 144.2 | 179.7 | -76.5 | -55.8 | 124.9 | 0 | 0 | 111.5 | E176 V177 A191 Y192 Q193 | E176-E189 HydrophobicContact CB-CG 4.01Å; E176-E189 WeakPolarHBondContact O-CG 3.38Å; V177-E189 WeakPolarHBondContact O-CB 3.37Å; V177-E189 PolarHBondContact O-N 2.77Å; E189-A191 PolarHBondContact O-N 2.7Å; E189-Y192 HydrophobicContact CB-CD2 3.99Å; E189-Y192 PolarHBondContact O-N 3.02Å; E189-Q193 PolarHBondContact O-N 2.92Å | ||
| 190 | P | 97.3 | Very high | 96.7 | Very high | 95 Ų | 95 | 72.3 Ų | 72.3 | 62% | 0.617 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -52.3 | -36.5 | -172.1 | -29.9 | 36.2 | 0 | 0 | 0 | 114.9 | Y192 Q193 | P190-Y192 PolarHBondContact O-N 3.47Å; P190-Q193 PolarHBondContact O-N 2.82Å |
| 191 | A | 94.9 | Very high | 96.6 | Very high | 84 Ų | 84 | 73.3 Ų | 73.3 | 69% | 0.694 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -65.1 | -18.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | E189 | E189-A191 PolarHBondContact O-N 2.7Š|
| 192 | Y | 96.7 | Very high | 96.5 | Very high | 24 Ų | 24 | 73.1 Ų | 73.1 | 9% | 0.094 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -113.1 | -5.1 | -174.9 | -61.6 | -82.5 | 0 | 0 | 0 | 113.4 | H167 E176 V177 E189 P190 R195 V196 | H167-Y192 PolarHBondContact ND1-OH 3.35Å; E176-Y192 WeakPolarHBondContact O-CE2 3.29Å; V177-Y192 HydrophobicContact CB-CD2 4.39Å; V177-Y192 HydrophobicContact CB-CE2 4.24Å; V177-Y192 HydrophobicContact CG1-CD1 4.03Å; V177-Y192 HydrophobicContact CG1-CD2 4.04Å; V177-Y192 HydrophobicContact CG1-CE1 4.22Å; V177-Y192 HydrophobicContact CG1-CE2 4.22Å; V177-Y192 HydrophobicContact CG1-CG 3.93Å; V177-Y192 HydrophobicContact CG2-CE1 4.4Å; V177-Y192 HydrophobicContact CG2-CE2 4.01Å; E189-Y192 HydrophobicContact CB-CD2 3.99Å; E189-Y192 PolarHBondContact O-N 3.02Å; P190-Y192 PolarHBondContact O-N 3.47Å; Y192-R195 PolarHBondContact O-N 2.86Å; Y192-V196 HydrophobicContact CD1-CG2 3.88Å; Y192-V196 HydrophobicContact CG-CG2 4.24Å; Y192-V196 PolarHBondContact O-N 2.81Å |
| 193 | Q | 95.7 | Very high | 96.5 | Very high | 126 Ų | 126 | 71 Ų | 71 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 142.2 | -179.2 | -72.2 | -177.4 | -0.2 | 0 | 0 | 112.2 | I188 E189 P190 R195 | I188-Q193 HydrophobicContact CB-CG 4.4Å; I188-Q193 HydrophobicContact CG2-CG 4.3Å; I188-Q193 PolarHBondContact O-NE2 2.87Å; E189-Q193 PolarHBondContact O-N 2.92Å; P190-Q193 PolarHBondContact O-N 2.82Å; Q193-R195 PolarHBondContact O-N 2.84Å |
| 194 | G | 95.8 | Very high | 96.7 | Very high | 67 Ų | 67 | 64.1 Ų | 64.1 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -7.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 195 | R | 96.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 25% | 0.253 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -20.5 | 176.1 | -56.6 | -167.2 | -54.5 | 116.9 | 1.1 | 114.7 | Y192 Q193 W197 I209 Q210 P211 D216 | Y192-R195 PolarHBondContact O-N 2.86Å; Q193-R195 PolarHBondContact O-N 2.84Å; R195-W197 VanDerWaalsContact C-CZ3 3.47Å; R195-W197 WeakPolarHBondContact O-CZ3 3.3Å; R195-I209 CarbonylContact O-C 3.47Å; R195-I209 WeakPolarHBondContact O-CA 3.4Å; R195-Q210 VanDerWaalsContact CA-O 3.31Å; R195-Q210 WeakPolarHBondContact CA-O 3.32Å; R195-Q210 PolarHBondContact O-N 3.01Å; R195-P211 PolarHBondContact NH1-O 3.39Å; R195-D216 IonicContact CZ-OD1 3.46Å; R195-D216 IonicContact NH1-OD1 3.44Å; R195-D216 IonicContact NH1-OD2 2.83Å; R195-D216 PolarHBondContact NH1-OD2 2.81Å; R195-D216 IonicContact NH2-OD1 2.75Å; R195-D216 PolarHBondContact NH2-OD1 2.96Å |
| 196 | V | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 140 | -176.6 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | V177 I188 Y192 L207 T208 I209 | V177-V196 HydrophobicContact CG1-CG1 4.06Å; I188-V196 HydrophobicContact CG2-CB 4.25Å; Y192-V196 HydrophobicContact CD1-CG2 3.88Å; Y192-V196 HydrophobicContact CG-CG2 4.24Å; Y192-V196 PolarHBondContact O-N 2.81Å; V196-L207 HydrophobicContact CG1-CD1 3.53Å; V196-L207 HydrophobicContact CG1-CG 4.13Å; V196-T208 CarbonylContact C-O 3.52Å; V196-T208 WeakPolarHBondContact CA-O 3.2Å; V196-I209 HydrophobicContact CG2-CG1 4.17Å; V196-I209 HydrophobicContact CG2-CG2 4.33Å |
| 197 | W | 98.2 | Very high | 97 | Very high | 130 Ų | 130 | 56.8 Ų | 56.8 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.4 | 175 | -58.3 | -91.4 | 0 | 0 | 0 | 110.4 | R195 T208 Q210 | R195-W197 VanDerWaalsContact C-CZ3 3.47Å; R195-W197 WeakPolarHBondContact O-CZ3 3.3Å; W197-T208 HydrophobicContact CE3-CG2 4.05Å; W197-T208 PolarHBondContact N-O 3.32Å; W197-T208 PolarHBondContact O-N 3.48Å; W197-Q210 HydrophobicContact CH2-CB 4.48Å; W197-Q210 HydrophobicContact CZ3-CB 3.9Å |
| 198 | L | 98.3 | Very high | 97 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.9 | 176.4 | 179.8 | 63.8 | 0 | 0 | 0 | 109.5 | W165 A178 S179 F180 P186 I188 S205 L207 | W165-L198 VanDerWaalsContact CD1-CD1 3.47Å; A178-L198 HydrophobicContact CB-CB 4Å; A178-L198 HydrophobicContact CB-CD2 3.81Å; A178-L198 HydrophobicContact CB-CG 4.43Å; S179-L198 VanDerWaalsContact C-CD2 3.49Å; F180-L198 HydrophobicContact CB-CD2 3.73Å; F180-L198 HydrophobicContact CB-CG 4.46Å; P186-L198 HydrophobicContact CB-CB 4.12Å; P186-L198 WeakPolarHBondContact CG-O 3.36Å; I188-L198 HydrophobicContact CD1-CB 3.98Å; L198-S205 WeakPolarHBondContact CD1-OG 3.33Å; L198-L207 HydrophobicContact CD1-CD1 4.29Å |
| 199 | S | 96.9 | Very high | 97 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | trans | -68.4 | 138.5 | 175.1 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | S201 D204 Q206 | S199-S201 PolarHBondContact O-N 2.8Å; S199-D204 PolarHBondContact OG-O 2.06Å; S199-Q206 PolarHBondContact N-O 2.85Å; S199-Q206 PolarHBondContact OG-N 2.77Å | ||
| 200 | A | 96 | Very high | 96.9 | Very high | 70 Ų | 70 | 52 Ų | 52 | 58% | 0.579 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -80.7 | 59.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F180 P186 | F180-A200 HydrophobicContact CD2-CB 4.3Å; F180-A200 HydrophobicContact CE1-CB 4.48Å; F180-A200 HydrophobicContact CE2-CB 3.59Å; F180-A200 VanDerWaalsContact CZ-C 3.41Å; F180-A200 VanDerWaalsContact CZ-CA 3.46Å; F180-A200 HydrophobicContact CZ-CB 3.71Å; P186-A200 HydrophobicContact CG-CB 3.96Å |
| 201 | S | 96.1 | Very high | 97 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | trans | -134.6 | 135.4 | 179 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | I163 S199 S203 D204 | I163-S201 WeakPolarHBondContact CD1-O 3.42Å; S199-S201 PolarHBondContact O-N 2.8Å; S201-S203 PolarHBondContact OG-N 3.03Å; S201-S203 PolarHBondContact OG-OG 3.31Å; S201-D204 VanDerWaalsContact CB-O 3.29Å; S201-D204 WeakPolarHBondContact CB-O 3.16Å; S201-D204 PolarHBondContact OG-N 3.45Å | ||
| 202 | L | 95.7 | Very high | 97.1 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -90.3 | -11.1 | 177 | -66.7 | 178.3 | 0 | 0 | 0 | 113.5 | P157 V160 I163 F180 K182 Y224 | P157-L202 HydrophobicContact CB-CB 4.04Å; V160-L202 HydrophobicContact CB-CB 4.35Å; V160-L202 HydrophobicContact CB-CD2 4.35Å; V160-L202 HydrophobicContact CG1-CD2 3.87Å; I163-L202 HydrophobicContact CD1-CD2 4.1Å; I163-L202 HydrophobicContact CG1-CD2 4.33Å; F180-L202 HydrophobicContact CD1-CD2 3.81Å; F180-L202 HydrophobicContact CD1-CG 4.41Å; F180-L202 HydrophobicContact CE1-CD2 3.8Å; F180-L202 HydrophobicContact CE1-CG 3.92Å; K182-L202 HydrophobicContact CB-CD1 4Å; K182-L202 HydrophobicContact CD-CD1 4.07Å; K182-L202 HydrophobicContact CG-CD1 3.83Å; L202-Y224 WeakPolarHBondContact O-CE1 3.49Å |
| 203 | S | 94.9 | Very high | 97 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -92.1 | -58.9 | 172.9 | 58.5 | 0 | 0 | 0 | 0 | 109.7 | S153 F154 S201 Y224 | S153-S203 CarbonylContact C-O 3.51Å; S153-S203 VanDerWaalsContact CA-O 3.23Å; S153-S203 WeakPolarHBondContact CA-O 3.32Å; F154-S203 PolarHBondContact N-O 3.11Å; S201-S203 PolarHBondContact OG-N 3.03Å; S201-S203 PolarHBondContact OG-OG 3.31Å; S203-Y224 PolarHBondContact O-OH 2.8Å |
| 204 | D | 96.3 | Very high | 97 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 96.9 | -170.1 | -57.4 | -74.4 | 0 | 0 | 0 | 109.8 | C152 S153 S199 S201 | C152-D204 CarbonylContact O-C 3.55Å; S153-D204 WeakPolarHBondContact CB-OD1 3.39Å; S199-D204 PolarHBondContact OG-O 2.06Å; S201-D204 VanDerWaalsContact CB-O 3.29Å; S201-D204 WeakPolarHBondContact CB-O 3.16Å; S201-D204 PolarHBondContact OG-N 3.45Å |
| 205 | S | 97.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119 | -179.5 | -161.1 | 0 | 0 | 0 | 0 | 110.6 | S151 C152 W165 L198 Y224 | S151-S205 CarbonylContact C-O 3.51Å; S151-S205 VanDerWaalsContact CA-O 3.3Å; S151-S205 WeakPolarHBondContact CA-O 3.29Å; C152-S205 PolarHBondContact N-O 3.16Å; C152-S205 PolarHBondContact O-N 3.07Å; W165-S205 PolarHBondContact NE1-OG 2.63Å; L198-S205 WeakPolarHBondContact CD1-OG 3.33Å; S205-Y224 WeakPolarHBondContact CB-OH 3.38Å |
| 206 | Q | 97.9 | Very high | 96.8 | Very high | 81 Ų | 81 | 42.6 Ų | 42.6 | 38% | 0.379 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119 | 176.1 | -175.2 | 174 | 91.9 | 0 | 0 | 111 | L150 S199 | L150-Q206 CarbonylContact O-C 3.56Å; L150-Q206 WeakPolarHBondContact O-CA 3.4Å; S199-Q206 PolarHBondContact N-O 2.85Å; S199-Q206 PolarHBondContact OG-N 2.77Å |
| 207 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115.4 | 172.8 | -172.7 | 75.1 | 0 | 0 | 0 | 109.3 | S149 L150 W165 V177 A178 V196 L198 Y220 | S149-L207 CarbonylContact C-O 3.52Å; S149-L207 VanDerWaalsContact CA-O 3.32Å; S149-L207 WeakPolarHBondContact CA-O 3.49Å; L150-L207 HydrophobicContact CB-CB 4.49Å; L150-L207 PolarHBondContact N-O 3.4Å; L150-L207 PolarHBondContact O-N 3.01Å; W165-L207 HydrophobicContact CB-CD1 4.42Å; W165-L207 HydrophobicContact CB-CD2 4.31Å; W165-L207 HydrophobicContact CD2-CB 3.93Å; W165-L207 HydrophobicContact CD2-CD2 3.98Å; W165-L207 HydrophobicContact CD2-CG 4.4Å; W165-L207 HydrophobicContact CE3-CB 4.2Å; W165-L207 HydrophobicContact CE3-CD2 3.8Å; W165-L207 HydrophobicContact CG-CB 4.4Å; W165-L207 HydrophobicContact CG-CD1 4.27Å; W165-L207 HydrophobicContact CG-CD2 4.23Å; W165-L207 HydrophobicContact CH2-CB 4.35Å; W165-L207 HydrophobicContact CZ2-CB 4.1Å; W165-L207 HydrophobicContact CZ3-CB 4.4Å; W165-L207 HydrophobicContact CZ3-CD2 4.41Å; V177-L207 HydrophobicContact CG1-CD1 4.14Å; V177-L207 HydrophobicContact CG1-CD2 4.14Å; A178-L207 HydrophobicContact CB-CD1 3.95Å; V196-L207 HydrophobicContact CG1-CD1 3.53Å; V196-L207 HydrophobicContact CG1-CG 4.13Å; L198-L207 HydrophobicContact CD1-CD1 4.29Å; L207-Y220 HydrophobicContact CD2-CD1 3.66Å; L207-Y220 HydrophobicContact CD2-CE1 3.98Å |
| 208 | T | 98.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.9 | -179.5 | -68.5 | 0 | 0 | 0 | 0 | 110.7 | K147 A148 S149 V196 W197 | K147-T208 HydrophobicContact CD-CG2 4.28Å; K147-T208 HydrophobicContact CG-CG2 4.07Å; A148-T208 CarbonylContact O-C 3.59Å; A148-T208 WeakPolarHBondContact O-CA 3.37Å; S149-T208 PolarHBondContact OG-OG1 2.9Å; V196-T208 CarbonylContact C-O 3.52Å; V196-T208 WeakPolarHBondContact CA-O 3.2Å; W197-T208 HydrophobicContact CE3-CG2 4.05Å; W197-T208 PolarHBondContact N-O 3.32Å; W197-T208 PolarHBondContact O-N 3.48Å |
| 209 | I | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.8 | 179.1 | -51.6 | 171.1 | 0 | 0 | 0 | 108.8 | K147 A148 R195 V196 V212 Y220 L238 | K147-I209 WeakPolarHBondContact CA-O 3.17Å; A148-I209 PolarHBondContact N-O 3.48Å; A148-I209 PolarHBondContact O-N 2.86Å; R195-I209 CarbonylContact O-C 3.47Å; R195-I209 WeakPolarHBondContact O-CA 3.4Å; V196-I209 HydrophobicContact CG2-CG1 4.17Å; V196-I209 HydrophobicContact CG2-CG2 4.33Å; I209-V212 HydrophobicContact CB-CG2 4.19Å; I209-V212 HydrophobicContact CG2-CG2 4.07Å; I209-Y220 HydrophobicContact CD1-CE1 4.16Å; I209-Y220 HydrophobicContact CD1-CE2 4.41Å; I209-Y220 WeakPolarHBondContact CD1-OH 3.3Å; I209-L238 HydrophobicContact CD1-CD2 4.03Å |
| 210 | Q | 97.6 | Very high | 96.7 | Very high | 91 Ų | 91 | 39 Ų | 39 | 43% | 0.425 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -155.8 | 125.5 | 174.7 | -174.8 | 178.7 | -17 | 0 | 0 | 112 | K147 R195 W197 | K147-Q210 HydrophobicContact CB-CB 4.19Å; K147-Q210 HydrophobicContact CB-CG 4.1Å; K147-Q210 HydrophobicContact CG-CB 4.25Å; R195-Q210 VanDerWaalsContact CA-O 3.31Å; R195-Q210 WeakPolarHBondContact CA-O 3.32Å; R195-Q210 PolarHBondContact O-N 3.01Å; W197-Q210 HydrophobicContact CH2-CB 4.48Å; W197-Q210 HydrophobicContact CZ3-CB 3.9Å |
| 211 | P | 97.7 | Very high | 96.8 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 43% | 0.429 | 20% | 0.201 | S | C | . | . | S | Bend | cis | -74.8 | 144 | -7.6 | 30.2 | -33.3 | 0 | 0 | 0 | 111.9 | R195 | R195-P211 PolarHBondContact NH1-O 3.39Š|
| 212 | V | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | trans | -69.7 | 133.7 | 170.9 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | A142 S144 G145 K146 A148 I209 T240 | A142-V212 HydrophobicContact CB-CG1 4.14Å; A142-V212 HydrophobicContact CB-CG2 4.23Å; S144-V212 CarbonylContact C-O 3.49Å; S144-V212 WeakPolarHBondContact CA-O 3.5Å; S144-V212 PolarHBondContact OG-O 2.93Å; G145-V212 PolarHBondContact N-O 2.95Å; K146-V212 WeakPolarHBondContact O-CG2 3.27Å; K146-V212 PolarHBondContact O-N 3.27Å; A148-V212 HydrophobicContact CB-CG2 3.56Å; I209-V212 HydrophobicContact CB-CG2 4.19Å; I209-V212 HydrophobicContact CG2-CG2 4.07Å; V212-T240 HydrophobicContact CG1-CG2 4.04Å | ||
| 213 | A | 95.3 | Very high | 97 | Very high | 24 Ų | 24 | 36 Ų | 36 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | trans | -115.6 | 169.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q215 D216 T240 | A213-Q215 VanDerWaalsContact C-N 3.25Å; A213-Q215 PolarHBondContact O-N 3.47Å; A213-D216 PolarHBondContact N-OD2 2.92Å; A213-D216 PolarHBondContact O-N 3.15Å; A213-T240 PolarHBondContact O-OG1 2.64Å | ||
| 214 | I | 95.1 | Very high | 97.1 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -65.8 | -33.8 | 177 | -62.6 | 172.6 | 0 | 0 | 0 | 110.4 | D216 E217 V242 D295 T297 | I214-D216 PolarHBondContact O-N 2.73Å; I214-E217 WeakPolarHBondContact O-CB 3.44Å; I214-E217 PolarHBondContact O-N 2.76Å; I214-E217 VanDerWaalsContact O-N 3.09Å; I214-V242 HydrophobicContact CD1-CG2 3.8Å; I214-V242 HydrophobicContact CG1-CG2 3.95Å; I214-D295 WeakPolarHBondContact CD1-O 3.33Å; I214-T297 HydrophobicContact CD1-CG2 3.87Å |
| 215 | Q | 93.1 | Very high | 97.1 | Very high | 140 Ų | 140 | 32.9 Ų | 32.9 | 65% | 0.654 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -68.9 | -19.2 | 179.5 | -59.6 | 78.3 | 15.5 | 0 | 0 | 113.1 | H167 A213 E217 | H167-Q215 PolarHBondContact CE1-O 3.04Å; A213-Q215 VanDerWaalsContact C-N 3.25Å; A213-Q215 PolarHBondContact O-N 3.47Å; Q215-E217 PolarHBondContact O-N 2.73Å |
| 216 | D | 95.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -76.9 | -6 | 174.9 | -56.9 | -41.5 | 0 | 0 | 0 | 111.2 | H167 R195 A213 I214 G218 Y220 L238 | H167-D216 PolarHBondContact NE2-O 2.63Å; R195-D216 IonicContact CZ-OD1 3.46Å; R195-D216 IonicContact NH1-OD1 3.44Å; R195-D216 IonicContact NH1-OD2 2.83Å; R195-D216 PolarHBondContact NH1-OD2 2.81Å; R195-D216 IonicContact NH2-OD1 2.75Å; R195-D216 PolarHBondContact NH2-OD1 2.96Å; A213-D216 PolarHBondContact N-OD2 2.92Å; A213-D216 PolarHBondContact O-N 3.15Å; I214-D216 PolarHBondContact O-N 2.73Å; D216-G218 PolarHBondContact O-N 2.81Å; D216-Y220 WeakPolarHBondContact O-CE2 3.4Å; D216-Y220 PolarHBondContact O-OH 2.8Å; D216-L238 HydrophobicContact CB-CD2 4.41Å |
| 217 | E | 95.7 | Very high | 96.3 | Very high | 53 Ų | 53 | 37 Ų | 37 | 25% | 0.248 | 19% | 0.192 | C | C | . | . | trans | -64.3 | 132.9 | 174.7 | -174.8 | 166.3 | 127.5 | 0 | 0 | 111.1 | H167 I214 Q215 L238 T240 R267 | H167-E217 PolarHBondContact NE2-O 2.02Å; I214-E217 WeakPolarHBondContact O-CB 3.44Å; I214-E217 PolarHBondContact O-N 2.76Å; I214-E217 VanDerWaalsContact O-N 3.09Å; Q215-E217 PolarHBondContact O-N 2.73Å; E217-L238 WeakPolarHBondContact CG-O 3.23Å; E217-T240 PolarHBondContact OE2-N 3.23Å; E217-R267 IonicContact OE1-CZ 3.24Å; E217-R267 IonicContact OE1-NH2 3.89Å; E217-R267 PolarHBondContact OE1-NH2 2.88Å; E217-R267 IonicContact OE2-CZ 3.03Å; E217-R267 IonicContact OE2-NE 3.83Å; E217-R267 IonicContact OE2-NH2 3.4Å; E217-R267 PolarHBondContact OE2-NH2 2.8Å; E217-R267 VanDerWaalsContact OE2-NH2 3.09Å | ||
| 218 | G | 96.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.7 | -175 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T168 D216 C237 L238 | T168-G218 CarbonylContact O-C 3.54Å; T168-G218 WeakPolarHBondContact O-CA 3.4Å; D216-G218 PolarHBondContact O-N 2.81Å; G218-C237 CarbonylContact O-C 3.6Å; G218-C237 WeakPolarHBondContact O-CA 3.44Å; G218-L238 PolarHBondContact N-O 3.01Å; G218-L238 VanDerWaalsContact N-O 3.08Å; G218-L238 PolarHBondContact O-N 2.92Å |
| 219 | C | 98 | Very high | 94.4 | Very high | 43 Ų | 43 | 43 Ų | 43 | 29% | 0.291 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131.5 | 177.8 | -61.8 | 0 | 0 | 0 | 0 | 110.5 | T168 V235 C237 | T168-C219 PolarHBondContact N-O 3.13Å; T168-C219 PolarHBondContact O-N 3.05Å; C219-V235 HydrophobicContact CB-CG1 3.76Å; C219-C237 HydrophobicContact CB-CB 4.13Å; C219-C237 WeakPolarHBondContact CB-SG 3.22Å; C219-C237 WeakPolarHBondContact SG-CB 2.92Å; C219-C237 CovalentContact SG-SG 2.06Å; C219-C237 PolarHBondContact SG-SG 2.93Å |
| 220 | Y | 98.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.1 | 176.3 | -69.9 | -98.7 | 0 | 0 | 0 | 108.6 | L150 K166 H167 V177 L207 I209 D216 V235 V236 L238 | L150-Y220 HydrophobicContact CD1-CD1 4.1Å; L150-Y220 HydrophobicContact CD1-CD2 3.36Å; L150-Y220 HydrophobicContact CD1-CE2 3.89Å; L150-Y220 HydrophobicContact CD1-CG 3.47Å; L150-Y220 VanDerWaalsContact CD1-CG 3.47Å; K166-Y220 CarbonylContact O-C 3.47Å; K166-Y220 VanDerWaalsContact O-CA 3.25Å; K166-Y220 WeakPolarHBondContact O-CA 3.03Å; H167-Y220 HydrophobicContact CB-CD1 4.02Å; H167-Y220 HydrophobicContact CB-CE1 3.74Å; H167-Y220 AromaticContact CD2-CE1 3.72Å; H167-Y220 AromaticContact CD2-CE2 3.54Å; H167-Y220 AromaticContact CD2-CZ 3.36Å; H167-Y220 AromaticContact CG-CE1 3.9Å; H167-Y220 AromaticContact CG-CZ 3.92Å; H167-Y220 AromaticContact NE2-CZ 3.95Å; V177-Y220 HydrophobicContact CG2-CD1 4.4Å; V177-Y220 HydrophobicContact CG2-CE1 4.22Å; L207-Y220 HydrophobicContact CD2-CD1 3.66Å; L207-Y220 HydrophobicContact CD2-CE1 3.98Å; I209-Y220 HydrophobicContact CD1-CE1 4.16Å; I209-Y220 HydrophobicContact CD1-CE2 4.41Å; I209-Y220 WeakPolarHBondContact CD1-OH 3.3Å; D216-Y220 WeakPolarHBondContact O-CE2 3.4Å; D216-Y220 PolarHBondContact O-OH 2.8Å; Y220-V235 CarbonylContact O-C 3.53Å; Y220-V235 WeakPolarHBondContact O-CA 3.08Å; Y220-V236 PolarHBondContact N-O 3.23Å; Y220-V236 PolarHBondContact O-N 3.08Å; Y220-L238 HydrophobicContact CD2-CB 4.19Å; Y220-L238 HydrophobicContact CE2-CB 3.92Å; Y220-L238 HydrophobicContact CE2-CD2 4.05Å |
| 221 | T | 98.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.4 | 178.5 | -51.2 | 0 | 0 | 0 | 0 | 109.1 | W165 K166 F223 S234 V235 | W165-T221 WeakPolarHBondContact CA-O 3.47Å; K166-T221 PolarHBondContact N-O 2.84Å; K166-T221 PolarHBondContact O-N 2.96Å; T221-F223 HydrophobicContact CG2-CD1 4.43Å; T221-F223 HydrophobicContact CG2-CD2 3.97Å; T221-F223 HydrophobicContact CG2-CE1 3.92Å; T221-F223 HydrophobicContact CG2-CE2 3.39Å; T221-F223 HydrophobicContact CG2-CG 4.46Å; T221-F223 HydrophobicContact CG2-CZ 3.36Å; T221-S234 WeakPolarHBondContact CA-O 3.39Å; T221-S234 WeakPolarHBondContact CG2-O 3.23Å; T221-V235 HydrophobicContact CG2-CG2 3.99Å |
| 222 | C | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.2 | 171.4 | 57.4 | 0 | 0 | 0 | 0 | 108.6 | C152 L164 W165 Y224 S233 S234 | C152-C222 HydrophobicContact CB-CB 3.69Å; C152-C222 WeakPolarHBondContact CB-SG 3.48Å; C152-C222 WeakPolarHBondContact SG-CB 3.44Å; C152-C222 CovalentContact SG-SG 2.02Å; C152-C222 PolarHBondContact SG-SG 3.29Å; L164-C222 CarbonylContact O-C 3.58Å; W165-C222 HydrophobicContact CD2-CB 4.01Å; W165-C222 HydrophobicContact CE3-CB 4.15Å; W165-C222 HydrophobicContact CH2-CB 3.93Å; W165-C222 HydrophobicContact CZ2-CB 3.75Å; W165-C222 HydrophobicContact CZ3-CB 4.11Å; C222-Y224 HydrophobicContact CB-CE2 4.47Å; C222-S233 WeakPolarHBondContact O-CA 3.43Å; C222-S233 WeakPolarHBondContact O-CB 3.48Å; C222-S234 PolarHBondContact N-O 2.81Å; C222-S234 PolarHBondContact O-N 2.83Å; C222-S234 VanDerWaalsContact O-N 3.13Å; C222-S234 PolarHBondContact SG-O 3.24Å |
| 223 | F | 97.9 | Very high | 93.6 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 23% | 0.232 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.7 | 177.3 | -64.9 | -88.4 | 0 | 0 | 0 | 108.8 | I163 L164 K166 T221 T231 K232 | I163-F223 CarbonylContact C-O 3.56Å; I163-F223 VanDerWaalsContact CA-O 3.24Å; I163-F223 WeakPolarHBondContact CA-O 3.31Å; L164-F223 HydrophobicContact CB-CB 4.27Å; L164-F223 PolarHBondContact N-O 3.35Å; L164-F223 PolarHBondContact O-N 3.16Å; K166-F223 HydrophobicContact CB-CE2 4.04Å; K166-F223 HydrophobicContact CD-CD2 4.47Å; K166-F223 HydrophobicContact CD-CE2 3.88Å; K166-F223 HydrophobicContact CG-CD2 4.1Å; K166-F223 HydrophobicContact CG-CE2 3.76Å; T221-F223 HydrophobicContact CG2-CD1 4.43Å; T221-F223 HydrophobicContact CG2-CD2 3.97Å; T221-F223 HydrophobicContact CG2-CE1 3.92Å; T221-F223 HydrophobicContact CG2-CE2 3.39Å; T221-F223 HydrophobicContact CG2-CG 4.46Å; T221-F223 HydrophobicContact CG2-CZ 3.36Å; F223-T231 HydrophobicContact CB-CG2 3.84Å; F223-T231 HydrophobicContact CD1-CG2 3.74Å; F223-T231 HydrophobicContact CG-CG2 4.27Å; F223-K232 CarbonylContact C-O 3.56Å; F223-K232 WeakPolarHBondContact CA-O 3.38Å |
| 224 | Y | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 106.6 | 171.2 | -75.6 | -105.6 | 0 | 0 | 0 | 107.8 | V134 C152 F154 V160 I163 L202 S203 S205 C222 T231 K232 | V134-Y224 HydrophobicContact CB-CD2 4.39Å; V134-Y224 HydrophobicContact CG1-CD2 3.75Å; V134-Y224 HydrophobicContact CG1-CE2 3.66Å; V134-Y224 HydrophobicContact CG2-CD2 3.62Å; V134-Y224 HydrophobicContact CG2-CE2 4.27Å; V134-Y224 HydrophobicContact CG2-CG 4.04Å; C152-Y224 HydrophobicContact CB-CE2 4.03Å; C152-Y224 PolarHBondContact O-OH 3.18Å; F154-Y224 HydrophobicContact CB-CD1 3.52Å; F154-Y224 HydrophobicContact CB-CD2 4.39Å; F154-Y224 HydrophobicContact CB-CE1 3.36Å; F154-Y224 HydrophobicContact CB-CE2 4.28Å; F154-Y224 HydrophobicContact CB-CG 4.03Å; F154-Y224 HydrophobicContact CD1-CD1 4.05Å; F154-Y224 AromaticContact CG-CD1 3.94Å; F154-Y224 HydrophobicContact CG-CD1 3.94Å; F154-Y224 HydrophobicContact CG-CE1 4.27Å; F154-Y224 HydrophobicContact CG-CG 4.29Å; V160-Y224 HydrophobicContact CG1-CD1 3.89Å; V160-Y224 HydrophobicContact CG2-CD1 3.76Å; I163-Y224 HydrophobicContact CD1-CD1 4.11Å; I163-Y224 HydrophobicContact CD1-CE1 3.57Å; I163-Y224 HydrophobicContact CG1-CD1 3.74Å; I163-Y224 HydrophobicContact CG1-CE1 3.71Å; I163-Y224 HydrophobicContact CG1-CG 4.26Å; L202-Y224 WeakPolarHBondContact O-CE1 3.49Å; S203-Y224 PolarHBondContact O-OH 2.8Å; S205-Y224 WeakPolarHBondContact CB-OH 3.38Å; C222-Y224 HydrophobicContact CB-CE2 4.47Å; Y224-T231 WeakPolarHBondContact O-CA 3.42Å; Y224-K232 PolarHBondContact N-O 2.88Å; Y224-K232 PolarHBondContact O-N 3.17Å |
| 225 | E | 96.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 48.2 Ų | 48.2 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 115.7 | 175.4 | -67.2 | 173.6 | -152.8 | 0 | 0 | 109 | Q161 Q162 T231 | Q161-E225 PolarHBondContact N-O 2.89Å; Q162-E225 HydrophobicContact CB-CB 4.28Å; Q162-E225 PolarHBondContact NE2-OE1 2.84Å; Q162-E225 PolarHBondContact O-N 3.42Å; E225-T231 HydrophobicContact CG-CG2 4.29Å |
| 226 | T | 93.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 9% | 0.092 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 152.1 | -179.4 | 76.6 | 0 | 0 | 0 | 0 | 111.1 | F154 K159 S228 E229 G230 | F154-T226 HydrophobicContact CE1-CG2 4.23Å; F154-T226 HydrophobicContact CZ-CG2 4.23Å; K159-T226 VanDerWaalsContact O-CA 3.31Å; K159-T226 WeakPolarHBondContact O-CA 3.25Å; T226-S228 VanDerWaalsContact C-N 3.31Å; T226-S228 PolarHBondContact O-N 2.81Å; T226-E229 WeakPolarHBondContact OG1-CA 3.25Å; T226-E229 WeakPolarHBondContact OG1-CB 3.2Å; T226-E229 PolarHBondContact OG1-N 3.47Å; T226-E229 VanDerWaalsContact OG1-N 3.1Å; T226-G230 WeakPolarHBondContact CB-O 3.42Å; T226-G230 PolarHBondContact N-O 2.84Å; T226-G230 VanDerWaalsContact N-O 3.13Å; T226-G230 PolarHBondContact OG1-N 3.06Å; T226-G230 PolarHBondContact OG1-O 2.91Å |
| 227 | H | 84.2 | Confident | 94.2 | Very high | 153 Ų | 153 | 42.6 Ų | 42.6 | 71% | 0.708 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -65.2 | -28.8 | -176.5 | -179.2 | -90.2 | 0 | 0 | 0 | 114.1 | K159 Q161 | K159-H227 PolarHBondContact O-N 2.9Å; Q161-H227 HydrophobicContact CG-CB 4.15Å |
| 228 | S | 78.2 | Confident | 94.3 | Very high | 91 Ų | 91 | 40.2 Ų | 40.2 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -134.3 | -18.5 | -169.5 | 52.2 | 0 | 0 | 0 | 0 | 115.4 | T226 | T226-S228 VanDerWaalsContact C-N 3.31Å; T226-S228 PolarHBondContact O-N 2.81Å |
| 229 | E | 79.6 | Confident | 94.3 | Very high | 50 Ų | 50 | 42.2 Ų | 42.2 | 23% | 0.234 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -107.9 | 10.6 | -174.3 | -63.7 | -178.4 | -174.8 | 0 | 0 | 112.7 | K159 T226 | K159-E229 IonicContact NZ-OE1 3.24Å; K159-E229 PolarHBondContact NZ-OE1 3.01Å; T226-E229 WeakPolarHBondContact OG1-CA 3.25Å; T226-E229 WeakPolarHBondContact OG1-CB 3.2Å; T226-E229 PolarHBondContact OG1-N 3.47Å; T226-E229 VanDerWaalsContact OG1-N 3.1Å |
| 230 | G | 88.5 | Confident | 94.2 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | trans | 71.9 | -156.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T226 | T226-G230 WeakPolarHBondContact CB-O 3.42Å; T226-G230 PolarHBondContact N-O 2.84Å; T226-G230 VanDerWaalsContact N-O 3.13Å; T226-G230 PolarHBondContact OG1-N 3.06Å; T226-G230 PolarHBondContact OG1-O 2.91Å | ||
| 231 | T | 94.6 | Very high | 94.2 | Very high | 84 Ų | 84 | 42.7 Ų | 42.7 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.7 | -177.4 | -51.7 | 0 | 0 | 0 | 0 | 110.3 | F223 Y224 E225 | F223-T231 HydrophobicContact CB-CG2 3.84Å; F223-T231 HydrophobicContact CD1-CG2 3.74Å; F223-T231 HydrophobicContact CG-CG2 4.27Å; Y224-T231 WeakPolarHBondContact O-CA 3.42Å; E225-T231 HydrophobicContact CG-CG2 4.29Å |
| 232 | K | 95.3 | Very high | 94.1 | Very high | 42 Ų | 42 | 43.3 Ų | 43.3 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 148.9 | 170.3 | -59 | -69 | -170.7 | 114.7 | 0 | 108.9 | D131 A132 V134 F154 F223 Y224 | D131-K232 IonicContact OD1-NZ 2.69Å; D131-K232 PolarHBondContact OD1-NZ 3.45Å; D131-K232 IonicContact OD2-NZ 3.48Å; A132-K232 PolarHBondContact O-NZ 3.49Å; A132-K232 VanDerWaalsContact O-NZ 3.08Å; V134-K232 HydrophobicContact CG2-CB 3.52Å; F154-K232 HydrophobicContact CE2-CB 4.4Å; F154-K232 HydrophobicContact CE2-CG 4.15Å; F154-K232 HydrophobicContact CZ-CG 4.48Å; F223-K232 CarbonylContact C-O 3.56Å; F223-K232 WeakPolarHBondContact CA-O 3.38Å; Y224-K232 PolarHBondContact N-O 2.88Å; Y224-K232 PolarHBondContact O-N 3.17Å |
| 233 | S | 97 | Very high | 94.1 | Very high | 62 Ų | 62 | 46 Ų | 46 | 43% | 0.434 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 159.9 | 180 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | C222 | C222-S233 WeakPolarHBondContact O-CA 3.43Å; C222-S233 WeakPolarHBondContact O-CB 3.48Å |
| 234 | S | 97.9 | Very high | 94 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 160 | 166.7 | -164.2 | 0 | 0 | 0 | 0 | 110.3 | S136 T221 C222 | S136-S234 WeakPolarHBondContact CB-OG 3.34Å; S136-S234 PolarHBondContact OG-OG 2.8Å; T221-S234 WeakPolarHBondContact CA-O 3.39Å; T221-S234 WeakPolarHBondContact CG2-O 3.23Å; C222-S234 PolarHBondContact N-O 2.81Å; C222-S234 PolarHBondContact O-N 2.83Å; C222-S234 VanDerWaalsContact O-N 3.13Å; C222-S234 PolarHBondContact SG-O 3.24Å |
| 235 | V | 97.4 | Very high | 93.9 | Very high | 68 Ų | 68 | 52.1 Ų | 52.1 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141.5 | -174.8 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | S136 C219 Y220 T221 | S136-V235 PolarHBondContact OG-O 3.01Å; C219-V235 HydrophobicContact CB-CG1 3.76Å; Y220-V235 CarbonylContact O-C 3.53Å; Y220-V235 WeakPolarHBondContact O-CA 3.08Å; T221-V235 HydrophobicContact CG2-CG2 3.99Å |
| 236 | V | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.8 | 169.5 | 56.5 | 0 | 0 | 0 | 0 | 109.1 | E137 L150 W165 Y220 | E137-V236 WeakPolarHBondContact O-CG2 3.26Å; L150-V236 HydrophobicContact CB-CG1 3.94Å; L150-V236 HydrophobicContact CD1-CG1 4.24Å; L150-V236 HydrophobicContact CD2-CG1 4.31Å; L150-V236 HydrophobicContact CD2-CG2 4.04Å; L150-V236 HydrophobicContact CG-CG1 4.39Å; W165-V236 HydrophobicContact CH2-CG1 4.24Å; W165-V236 HydrophobicContact CZ3-CG1 3.98Å; Y220-V236 PolarHBondContact N-O 3.23Å; Y220-V236 PolarHBondContact O-N 3.08Å |
| 237 | C | 97.7 | Very high | 93.9 | Very high | 27 Ų | 27 | 55 Ų | 55 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.3 | -179.8 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | N139 K140 G218 C219 | N139-C237 CarbonylContact C-O 3.56Å; N139-C237 VanDerWaalsContact CA-O 3.29Å; N139-C237 WeakPolarHBondContact CA-O 3.39Å; N139-C237 PolarHBondContact OD1-N 3.1Å; N139-C237 VanDerWaalsContact OD1-N 3.1Å; K140-C237 PolarHBondContact N-O 3.38Å; G218-C237 CarbonylContact O-C 3.6Å; G218-C237 WeakPolarHBondContact O-CA 3.44Å; C219-C237 HydrophobicContact CB-CB 4.13Å; C219-C237 WeakPolarHBondContact CB-SG 3.22Å; C219-C237 WeakPolarHBondContact SG-CB 2.92Å; C219-C237 CovalentContact SG-SG 2.06Å; C219-C237 PolarHBondContact SG-SG 2.93Å |
| 238 | L | 97.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.6 | 177.8 | -178.9 | 62.7 | 0 | 0 | 0 | 109.3 | K140 A142 A148 L150 I209 D216 E217 G218 Y220 | K140-L238 HydrophobicContact CB-CD1 4.31Å; K140-L238 CarbonylContact O-C 3.53Å; K140-L238 WeakPolarHBondContact O-CA 3.44Å; A142-L238 HydrophobicContact CB-CD1 3.77Å; A148-L238 HydrophobicContact CB-CD1 4.48Å; L150-L238 HydrophobicContact CD2-CD1 4.46Å; I209-L238 HydrophobicContact CD1-CD2 4.03Å; D216-L238 HydrophobicContact CB-CD2 4.41Å; E217-L238 WeakPolarHBondContact CG-O 3.23Å; G218-L238 PolarHBondContact N-O 3.01Å; G218-L238 VanDerWaalsContact N-O 3.08Å; G218-L238 PolarHBondContact O-N 2.92Å; Y220-L238 HydrophobicContact CD2-CB 4.19Å; Y220-L238 HydrophobicContact CE2-CB 3.92Å; Y220-L238 HydrophobicContact CE2-CD2 4.05Å |
| 239 | S | 96.5 | Very high | 95 | Very high | 51 Ų | 51 | 48 Ų | 48 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.1 | 167.9 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | K140 T141 A142 | K140-S239 PolarHBondContact O-N 3.21Å; T141-S239 CarbonylContact C-O 3.59Å; T141-S239 VanDerWaalsContact CA-O 3.27Å; T141-S239 WeakPolarHBondContact CA-O 3.36Å; A142-S239 PolarHBondContact N-O 3.03Å |
| 240 | T | 96.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.2 | -176.3 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | A142 V212 A213 E217 | A142-T240 CarbonylContact O-C 3.53Å; A142-T240 WeakPolarHBondContact O-CA 3.47Å; V212-T240 HydrophobicContact CG1-CG2 4.04Å; A213-T240 PolarHBondContact O-OG1 2.64Å; E217-T240 PolarHBondContact OE2-N 3.23Å |
| 241 | Y | 97.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 21% | 0.208 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134.3 | 171.7 | -76.1 | 0.2 | 0 | 0 | 0 | 111.3 | T141 A142 V143 S144 R267 P268 K323 | T141-Y241 HydrophobicContact CG2-CD1 3.56Å; T141-Y241 HydrophobicContact CG2-CD2 3.68Å; T141-Y241 HydrophobicContact CG2-CE1 3.51Å; T141-Y241 HydrophobicContact CG2-CE2 3.67Å; T141-Y241 HydrophobicContact CG2-CG 3.65Å; A142-Y241 PolarHBondContact O-N 3.39Å; V143-Y241 CarbonylContact C-O 3.54Å; V143-Y241 WeakPolarHBondContact CA-O 3.28Å; S144-Y241 PolarHBondContact N-O 2.75Å; Y241-R267 CarbonylContact C-O 3.56Å; Y241-R267 WeakPolarHBondContact CA-O 3.5Å; Y241-P268 VanDerWaalsContact CE1-CD 3.43Å; Y241-P268 HydrophobicContact CE1-CG 4.17Å; Y241-K323 HydrophobicContact CE2-CB 3.75Å |
| 242 | V | 97.5 | Very high | 95.3 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -107.5 | 110.6 | 168.4 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | I214 S266 R267 T297 | I214-V242 HydrophobicContact CD1-CG2 3.8Å; I214-V242 HydrophobicContact CG1-CG2 3.95Å; V242-S266 WeakPolarHBondContact O-CA 3.17Å; V242-S266 WeakPolarHBondContact O-CB 3.09Å; V242-R267 HydrophobicContact CB-CB 3.91Å; V242-R267 HydrophobicContact CG2-CB 3.98Å; V242-R267 PolarHBondContact N-O 3.33Å; V242-R267 PolarHBondContact O-N 2.93Å; V242-T297 HydrophobicContact CB-CG2 4.25Å; V242-T297 HydrophobicContact CG1-CG2 4.23Å; V242-T297 HydrophobicContact CG2-CG2 4.02Å |
| 243 | L | 96.9 | Very high | 94.9 | Very high | 56 Ų | 56 | 56 Ų | 56 | 29% | 0.293 | 30% | 0.301 | S | S | . | . | trans | -68.2 | 141.3 | -177.6 | -61.3 | -177.3 | 0 | 0 | 0 | 111 | V143 G324 L325 | V143-L243 HydrophobicContact CG1-CD1 3.78Å; V143-L243 HydrophobicContact CG1-CD2 4.45Å; V143-L243 HydrophobicContact CG1-CG 3.69Å; V143-L243 HydrophobicContact CG2-CD1 4.42Å; V143-L243 HydrophobicContact CG2-CD2 4.27Å; V143-L243 HydrophobicContact CG2-CG 4.35Å; L243-G324 WeakPolarHBondContact CD2-O 3.5Å; L243-L325 HydrophobicContact CD1-CD2 4.01Å; L243-L325 HydrophobicContact CD2-CD2 3.98Å; L243-L325 HydrophobicContact CD2-CG 4.24Å; L243-L325 HydrophobicContact CG-CD2 4.43Å | ||
| 244 | P | 96.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.032 | 30% | 0.299 | C | S | . | . | trans | -65.5 | 143 | -179.8 | 27.8 | -35.8 | 0 | 0 | 0 | 112.1 | S264 V265 A270 V320 H322 L325 I329 | P244-S264 WeakPolarHBondContact CB-OG 3.44Å; P244-V265 WeakPolarHBondContact CA-O 3.44Å; P244-A270 HydrophobicContact CB-CB 4.33Å; P244-V320 HydrophobicContact CB-CG1 3.85Å; P244-V320 HydrophobicContact CG-CG1 4.01Å; P244-H322 HydrophobicContact CG-CB 3.77Å; P244-L325 HydrophobicContact CG-CD1 3.78Å; P244-I329 HydrophobicContact CG-CD1 4.13Å; P244-I329 WeakPolarHBondContact O-CD1 3.35Å | ||
| 245 | K | 94.4 | Very high | 93.8 | Very high | 177 Ų | 177 | 60.8 Ų | 60.8 | 77% | 0.77 | 33% | 0.331 | S | S | * | . | trans | -120.8 | 81.1 | 166.3 | -69.1 | -177.6 | -177.5 | 175.5 | 0 | 108.9 | ||||
| 246 | P | 95.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 8% | 0.078 | 33% | 0.328 | C | S | . | . | trans | -70.6 | 146.1 | -171.6 | 27.1 | -33.7 | 0 | 0 | 0 | 112.8 | T263 V320 I329 V331 | P246-T263 CarbonylContact C-O 3.53Å; P246-T263 WeakPolarHBondContact CA-O 3.37Å; P246-V320 HydrophobicContact CB-CB 4.33Å; P246-V320 HydrophobicContact CB-CG2 3.61Å; P246-V320 HydrophobicContact CG-CB 4.27Å; P246-V320 HydrophobicContact CG-CG2 4Å; P246-I329 HydrophobicContact CG-CB 3.95Å; P246-I329 HydrophobicContact CG-CD1 4.29Å; P246-I329 HydrophobicContact CG-CG2 3.56Å; P246-V331 HydrophobicContact CB-CG2 3.98Å; P246-V331 HydrophobicContact CG-CG2 3.59Å | ||
| 247 | Q | 94.6 | Very high | 92.9 | Very high | 127 Ų | 127 | 60.6 Ų | 60.6 | 59% | 0.593 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.4 | 175.1 | -63.1 | -63.3 | -32.5 | 0 | 0 | 109.1 | C262 T263 | Q247-C262 CarbonylContact O-C 3.55Å; Q247-C262 WeakPolarHBondContact O-CA 3.25Å; Q247-T263 PolarHBondContact N-O 3.21Å; Q247-T263 PolarHBondContact O-N 2.83Å |
| 248 | V | 93.9 | Very high | 92.6 | Very high | 32 Ų | 32 | 60 Ų | 60 | 19% | 0.194 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.8 | 177.4 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | N261 C262 W274 C318 V331 M333 | V248-N261 WeakPolarHBondContact CA-O 3.18Å; V248-C262 HydrophobicContact CG2-CB 4.06Å; V248-W274 HydrophobicContact CG1-CH2 4.26Å; V248-C318 HydrophobicContact CG2-CB 3.6Å; V248-V331 HydrophobicContact CB-CG1 3.95Å; V248-V331 HydrophobicContact CG2-CB 3.74Å; V248-V331 HydrophobicContact CG2-CG1 3.55Å; V248-M333 HydrophobicContact CG1-CB 4.31Å; V248-M333 HydrophobicContact CG1-CG 3.9Å |
| 249 | S | 91.5 | Very high | 92.3 | Very high | 64 Ų | 64 | 61.8 Ų | 61.8 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 157.3 | 174.2 | 63 | 0 | 0 | 0 | 0 | 109.6 | A260 N261 | S249-A260 CarbonylContact O-C 3.54Å; S249-A260 WeakPolarHBondContact O-CA 3.33Å; S249-N261 PolarHBondContact N-O 3.06Å; S249-N261 PolarHBondContact O-N 3.31Å; S249-N261 PolarHBondContact OG-O 2.83Å |
| 250 | Y | 90.4 | Very high | 92.2 | Very high | 97 Ų | 97 | 59.3 Ų | 59.3 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 153.6 | 176 | 64.5 | -86.2 | 0 | 0 | 0 | 111.2 | I258 E259 M333 N334 T335 | Y250-I258 HydrophobicContact CD2-CG2 4.09Å; Y250-I258 HydrophobicContact CG-CG2 4.45Å; Y250-E259 CarbonylContact C-O 3.54Å; Y250-E259 WeakPolarHBondContact CA-O 3.39Å; Y250-M333 HydrophobicContact CD1-CE 3.9Å; Y250-M333 HydrophobicContact CD1-CG 3.46Å; Y250-M333 VanDerWaalsContact CD1-CG 3.46Å; Y250-M333 HydrophobicContact CD1-SD 4.07Å; Y250-M333 HydrophobicContact CD2-CE 4.01Å; Y250-M333 HydrophobicContact CE1-CG 4.09Å; Y250-M333 HydrophobicContact CG-CE 3.58Å; Y250-M333 HydrophobicContact CG-CG 4.06Å; Y250-M333 HydrophobicContact CG-SD 4.05Å; Y250-N334 PolarHBondContact OH-O 2.81Å; Y250-T335 HydrophobicContact CE1-CG2 4.26Å; Y250-T335 HydrophobicContact CE2-CG2 4.34Å; Y250-T335 WeakPolarHBondContact OH-CA 3.38Å |
| 251 | K | 89.6 | Confident | 92.1 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 48% | 0.478 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 151.2 | 175.3 | 68.4 | -176.2 | -176.1 | -159 | 0 | 110.4 | I258 E259 | K251-I258 WeakPolarHBondContact O-CA 3.37Å; K251-E259 VanDerWaalsContact CE-CD 3.46Å; K251-E259 WeakPolarHBondContact CE-OE1 3.47Å; K251-E259 HydrophobicContact CG-CB 4.26Å; K251-E259 PolarHBondContact N-O 2.87Å; K251-E259 IonicContact NZ-OE1 2.83Å; K251-E259 PolarHBondContact NZ-OE1 3.19Å; K251-E259 IonicContact NZ-OE2 3.28Å; K251-E259 PolarHBondContact O-N 2.97Å |
| 252 | T | 88.1 | Confident | 92.1 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 59% | 0.589 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 114.9 | 171.5 | -54.6 | 0 | 0 | 0 | 0 | 108.5 | S254 V257 | T252-S254 VanDerWaalsContact CG2-O 3.3Å; T252-S254 WeakPolarHBondContact CG2-O 3.49Å; T252-V257 WeakPolarHBondContact CA-O 3.41Å |
| 253 | T | 87.4 | Confident | 92.1 | Very high | 82 Ų | 82 | 59 Ų | 59 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -32.9 | -176.7 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | V257 | T253-V257 PolarHBondContact N-O 2.8Å |
| 254 | S | 87 | Confident | 92.1 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 166.7 | 173.4 | 65.9 | 0 | 0 | 0 | 0 | 109.8 | T252 G256 V257 | T252-S254 VanDerWaalsContact CG2-O 3.3Å; T252-S254 WeakPolarHBondContact CG2-O 3.49Å; S254-G256 PolarHBondContact O-N 2.76Å; S254-V257 PolarHBondContact O-N 2.87Å; S254-V257 WeakPolarHBondContact OG-CB 3.36Å; S254-V257 VanDerWaalsContact OG-CG2 3.31Å; S254-V257 WeakPolarHBondContact OG-CG2 3.44Å |
| 255 | P | 85.2 | Confident | 92.1 | Very high | 132 Ų | 132 | 58.7 Ų | 58.7 | 86% | 0.857 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 116.9 | 178.3 | -25.7 | 35.1 | 0 | 0 | 0 | 111.1 | ||
| 256 | G | 85.1 | Confident | 92.3 | Very high | 33 Ų | 33 | 50.2 Ų | 50.2 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 0.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | S254 Q307 S308 | S254-G256 PolarHBondContact O-N 2.76Å; G256-Q307 CarbonylContact O-C 3.54Å; G256-Q307 WeakPolarHBondContact O-CA 3.15Å; G256-S308 WeakPolarHBondContact CA-OG 3.37Å; G256-S308 PolarHBondContact O-N 2.9Å |
| 257 | V | 91.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.8 | -178.2 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | T252 T253 S254 I283 T305 | T252-V257 WeakPolarHBondContact CA-O 3.41Å; T253-V257 PolarHBondContact N-O 2.8Å; S254-V257 PolarHBondContact O-N 2.87Å; S254-V257 WeakPolarHBondContact OG-CB 3.36Å; S254-V257 VanDerWaalsContact OG-CG2 3.31Å; S254-V257 WeakPolarHBondContact OG-CG2 3.44Å; V257-I283 HydrophobicContact CB-CD1 4.35Å; V257-I283 HydrophobicContact CG1-CD1 3.82Å; V257-I283 HydrophobicContact CG2-CD1 3.81Å; V257-T305 HydrophobicContact CG1-CG2 3.48Å; V257-T305 VanDerWaalsContact CG1-CG2 3.48Å |
| 258 | I | 90.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.7 | -179.6 | -62.7 | 175.3 | 0 | 0 | 0 | 109.3 | Y250 K251 T305 V306 L311 M333 | Y250-I258 HydrophobicContact CD2-CG2 4.09Å; Y250-I258 HydrophobicContact CG-CG2 4.45Å; K251-I258 WeakPolarHBondContact O-CA 3.37Å; I258-T305 CarbonylContact O-C 3.59Å; I258-T305 WeakPolarHBondContact O-CA 3.17Å; I258-V306 HydrophobicContact CB-CG2 4.11Å; I258-V306 PolarHBondContact N-O 2.6Å; I258-V306 PolarHBondContact O-N 3.38Å; I258-L311 HydrophobicContact CB-CD1 4.45Å; I258-L311 HydrophobicContact CD1-CD1 3.25Å; I258-L311 HydrophobicContact CD1-CG 4.37Å; I258-L311 HydrophobicContact CG1-CD1 4.41Å; I258-L311 HydrophobicContact CG2-CD1 4.14Å; I258-M333 HydrophobicContact CG2-CE 3.95Å |
| 259 | E | 92.9 | Very high | 92.5 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.3 | 172.2 | -175.6 | -175.8 | 105.7 | 0 | 0 | 108.6 | Y250 K251 N261 T303 | Y250-E259 CarbonylContact C-O 3.54Å; Y250-E259 WeakPolarHBondContact CA-O 3.39Å; K251-E259 VanDerWaalsContact CE-CD 3.46Å; K251-E259 WeakPolarHBondContact CE-OE1 3.47Å; K251-E259 HydrophobicContact CG-CB 4.26Å; K251-E259 PolarHBondContact N-O 2.87Å; K251-E259 IonicContact NZ-OE1 2.83Å; K251-E259 PolarHBondContact NZ-OE1 3.19Å; K251-E259 IonicContact NZ-OE2 3.28Å; K251-E259 PolarHBondContact O-N 2.97Å; E259-N261 PolarHBondContact OE1-ND2 3.43Å; E259-T303 HydrophobicContact CG-CG2 3.49Å; E259-T303 VanDerWaalsContact CG-CG2 3.49Å |
| 260 | A | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.8 | 178 | 0 | 0 | 0 | 0 | 0 | 109.8 | S249 W274 T303 L304 M333 | S249-A260 CarbonylContact O-C 3.54Å; S249-A260 WeakPolarHBondContact O-CA 3.33Å; A260-W274 HydrophobicContact CB-CH2 3.6Å; A260-W274 HydrophobicContact CB-CZ2 4.24Å; A260-W274 HydrophobicContact CB-CZ3 4.03Å; A260-T303 CarbonylContact O-C 3.51Å; A260-T303 VanDerWaalsContact O-CA 3.3Å; A260-T303 WeakPolarHBondContact O-CA 3.35Å; A260-L304 PolarHBondContact N-O 3.18Å; A260-L304 PolarHBondContact O-N 3.26Å; A260-M333 HydrophobicContact CB-CE 4.41Å; A260-M333 HydrophobicContact CB-SD 3.37Å; A260-M333 WeakPolarHBondContact CB-SD 3.21Å |
| 261 | N | 95.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.9 | 180 | -68.7 | -33.7 | 0 | 0 | 0 | 109.5 | V248 S249 E259 T303 | V248-N261 WeakPolarHBondContact CA-O 3.18Å; S249-N261 PolarHBondContact N-O 3.06Å; S249-N261 PolarHBondContact O-N 3.31Å; S249-N261 PolarHBondContact OG-O 2.83Å; E259-N261 PolarHBondContact OE1-ND2 3.43Å; N261-T303 VanDerWaalsContact OD1-CB 3.28Å; N261-T303 WeakPolarHBondContact OD1-CB 3.43Å; N261-T303 WeakPolarHBondContact OD1-CG2 3.24Å; N261-T303 PolarHBondContact OD1-OG1 2.86Å |
| 262 | C | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.7 | 170.5 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | Q247 V248 I272 W274 I301 S302 C318 | Q247-C262 CarbonylContact O-C 3.55Å; Q247-C262 WeakPolarHBondContact O-CA 3.25Å; V248-C262 HydrophobicContact CG2-CB 4.06Å; C262-I272 HydrophobicContact CB-CG2 4.21Å; C262-W274 HydrophobicContact CB-CH2 3.85Å; C262-W274 HydrophobicContact CB-CZ2 3.52Å; C262-I301 WeakPolarHBondContact O-CA 3.36Å; C262-S302 PolarHBondContact N-O 2.87Å; C262-S302 PolarHBondContact O-N 3.28Å; C262-C318 HydrophobicContact CB-CB 3.66Å; C262-C318 WeakPolarHBondContact CB-SG 3.47Å; C262-C318 WeakPolarHBondContact SG-CB 3.39Å; C262-C318 CovalentContact SG-SG 2.03Å; C262-C318 PolarHBondContact SG-SG 3.19Å |
| 263 | T | 97.3 | Very high | 93.9 | Very high | 46 Ų | 46 | 42 Ų | 42 | 28% | 0.282 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140 | -179.6 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | P246 Q247 V300 I301 | P246-T263 CarbonylContact C-O 3.53Å; P246-T263 WeakPolarHBondContact CA-O 3.37Å; Q247-T263 PolarHBondContact N-O 3.21Å; Q247-T263 PolarHBondContact O-N 2.83Å; T263-V300 CarbonylContact C-O 3.54Å; T263-V300 WeakPolarHBondContact CA-O 3.36Å; T263-I301 HydrophobicContact CG2-CB 4.48Å; T263-I301 HydrophobicContact CG2-CG1 4.04Å; T263-I301 HydrophobicContact CG2-CG2 4.13Å |
| 264 | S | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 127.4 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 111 | P244 V300 | P244-S264 WeakPolarHBondContact CB-OG 3.44Å; S264-V300 PolarHBondContact N-O 3.1Å; S264-V300 PolarHBondContact O-N 2.67Å |
| 265 | V | 97.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 39.5 Ų | 39.5 | 33% | 0.327 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.1 | 172.9 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | P244 T297 L299 | P244-V265 WeakPolarHBondContact CA-O 3.44Å; V265-T297 HydrophobicContact CG1-CG2 4.33Å; V265-T297 WeakPolarHBondContact CG1-OG1 3.37Å; V265-L299 HydrophobicContact CG2-CB 4.26Å; V265-L299 HydrophobicContact CG2-CD1 3.71Å |
| 266 | S | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 164.5 | -176.5 | 48 | 0 | 0 | 0 | 0 | 113.1 | V242 P268 A270 T298 | V242-S266 WeakPolarHBondContact O-CA 3.17Å; V242-S266 WeakPolarHBondContact O-CB 3.09Å; S266-P268 CarbonylContact C-O 3.58Å; S266-P268 PolarHBondContact OG-O 2.9Å; S266-A270 VanDerWaalsContact OG-CB 3.29Å; S266-A270 WeakPolarHBondContact OG-CB 3.43Å; S266-A270 PolarHBondContact OG-N 3.11Å; S266-T298 PolarHBondContact N-O 2.78Å; S266-T298 VanDerWaalsContact N-O 3.11Å; S266-T298 PolarHBondContact O-N 2.83Å |
| 267 | R | 96.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -142.4 | 122.8 | 171.1 | -175.3 | -177.8 | 176.3 | 136.4 | -9.2 | 108.8 | E217 Y241 V242 G296 T297 H322 | E217-R267 IonicContact OE1-CZ 3.24Å; E217-R267 IonicContact OE1-NH2 3.89Å; E217-R267 PolarHBondContact OE1-NH2 2.88Å; E217-R267 IonicContact OE2-CZ 3.03Å; E217-R267 IonicContact OE2-NE 3.83Å; E217-R267 IonicContact OE2-NH2 3.4Å; E217-R267 PolarHBondContact OE2-NH2 2.8Å; E217-R267 VanDerWaalsContact OE2-NH2 3.09Å; Y241-R267 CarbonylContact C-O 3.56Å; Y241-R267 WeakPolarHBondContact CA-O 3.5Å; V242-R267 HydrophobicContact CB-CB 3.91Å; V242-R267 HydrophobicContact CG2-CB 3.98Å; V242-R267 PolarHBondContact N-O 3.33Å; V242-R267 PolarHBondContact O-N 2.93Å; R267-G296 WeakPolarHBondContact CD-O 3.25Å; R267-G296 PolarHBondContact NH1-O 3.34Å; R267-T297 HydrophobicContact CB-CG2 4.42Å; R267-H322 PolarHBondContact O-NE2 3.1Å; R267-H322 VanDerWaalsContact O-NE2 3.16Å |
| 268 | P | 96.1 | Very high | 93.9 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 21% | 0.214 | 23% | 0.232 | C | C | . | . | S | Bend | cis | -58.7 | 168.9 | -12.1 | 28.9 | -36.9 | 0 | 0 | 0 | 111.9 | Y241 S266 A270 H322 K323 | Y241-P268 VanDerWaalsContact CE1-CD 3.43Å; Y241-P268 HydrophobicContact CE1-CG 4.17Å; S266-P268 CarbonylContact C-O 3.58Å; S266-P268 PolarHBondContact OG-O 2.9Å; P268-A270 PolarHBondContact O-N 3.06Å; P268-H322 WeakPolarHBondContact CD-NE2 3.49Å; P268-H322 PolarHBondContact O-CD2 2.96Å; P268-H322 PolarHBondContact O-NE2 3.1Å; P268-K323 HydrophobicContact CG-CB 4.41Å; P268-K323 HydrophobicContact CG-CD 4.12Å; P268-K323 HydrophobicContact CG-CG 4.32Å |
| 269 | P | 96.7 | Very high | 93.3 | Very high | 67 Ų | 67 | 43.9 Ų | 43.9 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -53.3 | 131.4 | 177.1 | -20.8 | 28.9 | 0 | 0 | 0 | 111.6 | T298 V300 | P269-T298 HydrophobicContact CB-CG2 4.03Å; P269-T298 HydrophobicContact CG-CG2 3.93Å; P269-V300 HydrophobicContact CB-CG2 4.16Å |
| 270 | A | 97.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 155.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P244 S266 P268 V320 H321 H322 | P244-A270 HydrophobicContact CB-CB 4.33Å; S266-A270 VanDerWaalsContact OG-CB 3.29Å; S266-A270 WeakPolarHBondContact OG-CB 3.43Å; S266-A270 PolarHBondContact OG-N 3.11Å; P268-A270 PolarHBondContact O-N 3.06Å; A270-V320 HydrophobicContact CB-CG1 3.61Å; A270-H321 CarbonylContact C-O 3.53Å; A270-H321 VanDerWaalsContact CA-O 3.31Å; A270-H321 WeakPolarHBondContact CA-O 3.48Å; A270-H321 WeakPolarHBondContact CB-O 3.46Å; A270-H322 HydrophobicContact CB-CB 4.29Å |
| 271 | E | 97.3 | Very high | 92.2 | Very high | 129 Ų | 129 | 51.3 Ų | 51.3 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.4 | 172.4 | 178.4 | 179.4 | -170.3 | 0 | 0 | 109.3 | V273 V320 H321 | E271-V273 HydrophobicContact CG-CG2 4.34Å; E271-V320 CarbonylContact O-C 3.57Å; E271-V320 WeakPolarHBondContact O-CA 3.43Å; E271-H321 HydrophobicContact CB-CB 4.23Å; E271-H321 PolarHBondContact N-O 3.42Å; E271-H321 PolarHBondContact O-N 3.39Å |
| 272 | I | 97.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125 | -178.9 | -60.1 | -178.5 | 0 | 0 | 0 | 109.3 | C262 V300 S302 C318 L319 V320 | C262-I272 HydrophobicContact CB-CG2 4.21Å; I272-V300 HydrophobicContact CD1-CB 4.08Å; I272-V300 HydrophobicContact CD1-CG1 3.76Å; I272-V300 HydrophobicContact CG1-CG1 4.09Å; I272-S302 VanDerWaalsContact CG2-CB 3.49Å; I272-C318 WeakPolarHBondContact CG2-SG 3.19Å; I272-L319 WeakPolarHBondContact CA-O 2.98Å; I272-V320 HydrophobicContact CG1-CG2 4.11Å |
| 273 | V | 96.1 | Very high | 91.6 | Very high | 60 Ų | 60 | 56 Ų | 56 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.2 | 177.2 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | E271 L319 | E271-V273 HydrophobicContact CG-CG2 4.34Å; V273-L319 HydrophobicContact CB-CB 4.42Å; V273-L319 PolarHBondContact N-O 2.69Å; V273-L319 WeakPolarHBondContact O-CA 3.13Å; V273-L319 WeakPolarHBondContact O-CB 2.92Å; V273-L319 PolarHBondContact O-N 2.01Å |
| 274 | W | 94.7 | Very high | 91.2 | Very high | 25 Ų | 25 | 55.7 Ų | 55.7 | 10% | 0.095 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 129 | 174.6 | -69.3 | 90.2 | 0 | 0 | 0 | 110.8 | V248 A260 C262 P286 S302 L304 V316 C318 | V248-W274 HydrophobicContact CG1-CH2 4.26Å; A260-W274 HydrophobicContact CB-CH2 3.6Å; A260-W274 HydrophobicContact CB-CZ2 4.24Å; A260-W274 HydrophobicContact CB-CZ3 4.03Å; C262-W274 HydrophobicContact CB-CH2 3.85Å; C262-W274 HydrophobicContact CB-CZ2 3.52Å; W274-P286 HydrophobicContact CG-CG 4.44Å; W274-S302 WeakPolarHBondContact CZ2-O 3.45Å; W274-S302 PolarHBondContact NE1-OG 2.86Å; W274-S302 VanDerWaalsContact NE1-OG 3.1Å; W274-L304 HydrophobicContact CB-CD2 3.84Å; W274-L304 HydrophobicContact CD2-CB 3.8Å; W274-L304 HydrophobicContact CD2-CD2 3.84Å; W274-L304 HydrophobicContact CD2-CG 4.45Å; W274-L304 HydrophobicContact CE3-CB 4.42Å; W274-L304 HydrophobicContact CE3-CD2 3.98Å; W274-L304 HydrophobicContact CG-CB 3.95Å; W274-L304 HydrophobicContact CG-CD2 3.81Å; W274-L304 HydrophobicContact CG-CG 4.39Å; W274-L304 HydrophobicContact CZ2-CB 4.15Å; W274-V316 HydrophobicContact CE3-CG1 3.61Å; W274-V316 HydrophobicContact CZ3-CG1 3.8Å; W274-C318 HydrophobicContact CE3-CB 4.29Å; W274-C318 HydrophobicContact CH2-CB 4.35Å; W274-C318 HydrophobicContact CZ3-CB 4.13Å |
| 275 | N | 92.1 | Very high | 90.9 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 32% | 0.316 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.8 | 170.3 | -179.6 | 27.7 | 0 | 0 | 0 | 110 | E277 K317 L319 | N275-E277 PolarHBondContact OD1-N 2.93Å; N275-K317 HydrophobicContact CB-CB 4.4Å; N275-K317 PolarHBondContact N-O 2.96Å; N275-K317 PolarHBondContact O-N 2.82Å; N275-L319 HydrophobicContact CB-CD1 3.97Å; N275-L319 HydrophobicContact CB-CG 4.24Å |
| 276 | V | 90.1 | Very high | 90.8 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 13% | 0.127 | 34% | 0.344 | C | S | . | . | trans | -122.2 | 25 | 179.6 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | T278 D279 T282 L304 L310 V316 | V276-T278 PolarHBondContact O-N 2.88Å; V276-D279 VanDerWaalsContact O-CB 3.32Å; V276-D279 WeakPolarHBondContact O-CB 3.29Å; V276-D279 PolarHBondContact O-N 3.05Å; V276-T282 HydrophobicContact CG1-CG2 4.21Å; V276-T282 HydrophobicContact CG2-CG2 4.08Å; V276-L304 HydrophobicContact CG1-CD2 3.89Å; V276-L310 HydrophobicContact CG1-CD2 4.36Å; V276-V316 HydrophobicContact CG1-CG1 4.12Å; V276-V316 HydrophobicContact CG1-CG2 4.16Å | ||
| 277 | E | 84.6 | Confident | 90.7 | Very high | 100 Ų | 100 | 65.7 Ų | 65.7 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 35.9 | 176.4 | -59.7 | -179.4 | 173.6 | 0 | 0 | 113.8 | N275 D279 V314 | N275-E277 PolarHBondContact OD1-N 2.93Å; E277-D279 VanDerWaalsContact C-N 3.27Å; E277-D279 PolarHBondContact O-N 2.98Å; E277-V314 HydrophobicContact CB-CG1 3.91Å; E277-V314 HydrophobicContact CG-CG1 4.03Å |
| 278 | T | 74.4 | Confident | 90.7 | Very high | 146 Ų | 146 | 65.7 Ų | 65.7 | 90% | 0.896 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 15.4 | -179.1 | 66.1 | 0 | 0 | 0 | 0 | 116.3 | V276 | V276-T278 PolarHBondContact O-N 2.88Š|
| 279 | D | 78.9 | Confident | 90.8 | Very high | 35 Ų | 35 | 67.6 Ų | 67.6 | 19% | 0.187 | 39% | 0.388 | C | S | . | . | trans | -73 | 141.3 | 176.3 | -161.9 | -64.8 | 0 | 0 | 0 | 112.2 | V276 E277 R281 L310 V314 | V276-D279 VanDerWaalsContact O-CB 3.32Å; V276-D279 WeakPolarHBondContact O-CB 3.29Å; V276-D279 PolarHBondContact O-N 3.05Å; E277-D279 VanDerWaalsContact C-N 3.27Å; E277-D279 PolarHBondContact O-N 2.98Å; D279-R281 WeakPolarHBondContact OD1-CB 3.36Å; D279-R281 WeakPolarHBondContact OD1-CG 3.33Å; D279-R281 IonicContact OD1-CZ 2.83Å; D279-R281 PolarHBondContact OD1-N 2.75Å; D279-R281 IonicContact OD1-NE 2.92Å; D279-R281 PolarHBondContact OD1-NE 3.15Å; D279-R281 IonicContact OD2-CZ 2.64Å; D279-R281 VanDerWaalsContact OD2-CZ 3.24Å; D279-R281 IonicContact OD2-NE 3.58Å; D279-R281 PolarHBondContact OD2-NE 2.8Å; D279-R281 IonicContact OD2-NH2 2.68Å; D279-R281 PolarHBondContact OD2-NH2 2.88Å; D279-L310 HydrophobicContact CB-CD1 3.45Å; D279-L310 VanDerWaalsContact CB-CD1 3.45Å; D279-L310 WeakPolarHBondContact OD1-CD1 3.14Å; D279-L310 WeakPolarHBondContact OD2-CD1 3.44Å; D279-V314 HydrophobicContact CB-CG2 4.24Å | ||
| 280 | N | 78 | Confident | 90.8 | Very high | 144 Ų | 144 | 69.6 Ų | 69.6 | 77% | 0.77 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -94.7 | 5.9 | -176.3 | 65.6 | -1.1 | 0 | 0 | 0 | 114 | T282 | N280-T282 PolarHBondContact O-N 3.46Å; N280-T282 VanDerWaalsContact O-N 3.15Å |
| 281 | R | 84.3 | Confident | 90.8 | Very high | 52 Ų | 52 | 73.5 Ų | 73.5 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | trans | -81 | 21.6 | 179.8 | -65 | 176.5 | -72.7 | 177.7 | -2 | 113.9 | D279 Q307 G309 L310 D313 | D279-R281 WeakPolarHBondContact OD1-CB 3.36Å; D279-R281 WeakPolarHBondContact OD1-CG 3.33Å; D279-R281 IonicContact OD1-CZ 2.83Å; D279-R281 PolarHBondContact OD1-N 2.75Å; D279-R281 IonicContact OD1-NE 2.92Å; D279-R281 PolarHBondContact OD1-NE 3.15Å; D279-R281 IonicContact OD2-CZ 2.64Å; D279-R281 VanDerWaalsContact OD2-CZ 3.24Å; D279-R281 IonicContact OD2-NE 3.58Å; D279-R281 PolarHBondContact OD2-NE 2.8Å; D279-R281 IonicContact OD2-NH2 2.68Å; D279-R281 PolarHBondContact OD2-NH2 2.88Å; R281-Q307 HydrophobicContact CB-CB 4.25Å; R281-Q307 HydrophobicContact CB-CG 4.47Å; R281-Q307 PolarHBondContact O-N 2.84Å; R281-G309 VanDerWaalsContact NH1-C 3.34Å; R281-G309 PolarHBondContact NH1-O 2.77Å; R281-L310 HydrophobicContact CB-CB 4.23Å; R281-L310 HydrophobicContact CB-CD1 4.35Å; R281-D313 IonicContact CZ-OD2 3.53Å; R281-D313 IonicContact NH1-OD2 2.78Å; R281-D313 PolarHBondContact NH1-OD2 2.87Å; R281-D313 IonicContact NH2-OD2 3.07Å; R281-D313 PolarHBondContact NH2-OD2 2.88Å; R281-D313 VanDerWaalsContact NH2-OD2 3.07Å | ||
| 282 | T | 89.8 | Confident | 90.8 | Very high | 48 Ų | 48 | 78.3 Ų | 78.3 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -82.2 | 132.5 | 169 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | V276 N280 G284 L304 V306 | V276-T282 HydrophobicContact CG1-CG2 4.21Å; V276-T282 HydrophobicContact CG2-CG2 4.08Å; N280-T282 PolarHBondContact O-N 3.46Å; N280-T282 VanDerWaalsContact O-N 3.15Å; T282-G284 PolarHBondContact O-N 3.18Å; T282-L304 HydrophobicContact CG2-CD1 4.07Å; T282-V306 HydrophobicContact CG2-CG1 4.24Å |
| 283 | I | 90 | Very high | 90.6 | Very high | 79 Ų | 79 | 81.1 Ų | 81.1 | 41% | 0.405 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -92.1 | 80.9 | 177.1 | -58.3 | 168.7 | 0 | 0 | 0 | 107.5 | V257 T305 Q307 | V257-I283 HydrophobicContact CB-CD1 4.35Å; V257-I283 HydrophobicContact CG1-CD1 3.82Å; V257-I283 HydrophobicContact CG2-CD1 3.81Å; I283-T305 HydrophobicContact CB-CG2 3.92Å; I283-T305 HydrophobicContact CD1-CG2 4.09Å; I283-T305 HydrophobicContact CG2-CG2 4.38Å; I283-T305 PolarHBondContact N-O 3.24Å; I283-Q307 HydrophobicContact CD1-CG 4.08Å; I283-Q307 HydrophobicContact CG1-CG 4.22Å |
| 284 | G | 88.8 | Confident | 90.4 | Very high | 40 Ų | 40 | 86.9 Ų | 86.9 | 41% | 0.412 | 47% | 0.465 | S | S | . | . | S | Bend | trans | 83.5 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T282 | T282-G284 PolarHBondContact O-N 3.18Š|
| 285 | P | 91.2 | Very high | 90.2 | Very high | 111 Ų | 111 | 89.7 Ų | 89.7 | 72% | 0.721 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -72.1 | 156.4 | 177.2 | 31 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 286 | P | 94.6 | Very high | 90.2 | Very high | 60 Ų | 60 | 88.4 Ų | 88.4 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | trans | -59.3 | 141.4 | 171.2 | -14 | 23.3 | 0 | 0 | 0 | 112 | W274 T303 L304 | W274-P286 HydrophobicContact CG-CG 4.44Å; P286-T303 CarbonylContact C-O 3.59Å; P286-T303 VanDerWaalsContact CA-O 3.26Å; P286-T303 WeakPolarHBondContact CA-O 3.44Å; P286-L304 HydrophobicContact CG-CD1 4.05Å | ||
| 287 | V | 96 | Very high | 90.4 | Very high | 95 Ų | 95 | 87.6 Ų | 87.6 | 58% | 0.576 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.4 | 174.1 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | S302 T303 | V287-S302 CarbonylContact O-C 3.46Å; V287-S302 WeakPolarHBondContact O-CA 3.5Å; V287-T303 PolarHBondContact N-O 2.83Å; V287-T303 PolarHBondContact O-N 3.25Å |
| 288 | T | 97.1 | Very high | 91.1 | Very high | 57 Ų | 57 | 83.6 Ų | 83.6 | 35% | 0.35 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.6 | -178 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | V300 I301 S302 | T288-V300 HydrophobicContact CG2-CG1 3.63Å; T288-I301 CarbonylContact C-O 3.57Å; T288-I301 VanDerWaalsContact CA-O 3.3Å; T288-I301 WeakPolarHBondContact CA-O 3.49Å; T288-S302 PolarHBondContact OG1-OG 2.84Å; T288-S302 VanDerWaalsContact OG1-OG 3.12Å |
| 289 | V | 97.1 | Very high | 92.2 | Very high | 72 Ų | 72 | 78.4 Ų | 78.4 | 44% | 0.436 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.2 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | L291 V300 I301 | V289-L291 HydrophobicContact CG1-CD2 4.14Å; V289-L291 HydrophobicContact CG1-CG 4.14Å; V289-V300 WeakPolarHBondContact O-CA 3.48Å; V289-I301 PolarHBondContact N-O 3.31Å; V289-I301 PolarHBondContact O-N 2.66Å |
| 290 | H | 97.5 | Very high | 93.1 | Very high | 110 Ų | 110 | 76.8 Ų | 76.8 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.9 | 176.7 | -61.8 | -95 | 0 | 0 | 0 | 109.9 | T298 | H290-T298 HydrophobicContact CB-CG2 4.16Å |
| 291 | L | 96.9 | Very high | 94 | Very high | 84 Ų | 84 | 72 Ų | 72 | 44% | 0.44 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117.2 | 179.3 | -61.6 | 171.2 | 0 | 0 | 0 | 108.8 | V289 T298 L299 I301 | V289-L291 HydrophobicContact CG1-CD2 4.14Å; V289-L291 HydrophobicContact CG1-CG 4.14Å; L291-T298 WeakPolarHBondContact O-CA 3.37Å; L291-L299 HydrophobicContact CB-CB 4.32Å; L291-L299 HydrophobicContact CD1-CD2 4.26Å; L291-L299 PolarHBondContact N-O 2.71Å; L291-L299 PolarHBondContact O-N 3.44Å; L291-I301 HydrophobicContact CD1-CD1 4.17Å |
| 292 | R | 96.3 | Very high | 94.6 | Very high | 231 Ų | 231 | 69.5 Ų | 69.5 | 87% | 0.872 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 138.9 | 174.5 | -69.5 | -174.8 | 172.4 | 101.3 | -0.8 | 109.6 | ||
| 293 | Q | 95.1 | Very high | 94.9 | Very high | 75 Ų | 75 | 68.9 Ų | 68.9 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | trans | -107.7 | 156.4 | 177.2 | -57.6 | -163.6 | -96.8 | 0 | 0 | 110.6 | D295 G296 T297 L299 | Q293-D295 WeakPolarHBondContact CB-OD1 3.28Å; Q293-D295 PolarHBondContact O-N 3.23Å; Q293-G296 PolarHBondContact O-N 3.37Å; Q293-T297 PolarHBondContact N-O 2.88Å; Q293-T297 PolarHBondContact OE1-OG1 2.97Å; Q293-T297 VanDerWaalsContact OE1-OG1 3.1Å; Q293-L299 HydrophobicContact CG-CB 4.32Å | ||
| 294 | D | 92 | Very high | 95.2 | Very high | 180 Ų | 180 | 65.3 Ų | 65.3 | 96% | 0.963 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -24.8 | -176.7 | -60.3 | -30.3 | 0 | 0 | 0 | 112.9 | G296 | D294-G296 PolarHBondContact O-N 3.29Š|
| 295 | D | 90.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 1.5 | 174.6 | 69.2 | -1.1 | 0 | 0 | 0 | 113.5 | I214 Q293 T297 | I214-D295 WeakPolarHBondContact CD1-O 3.33Å; Q293-D295 WeakPolarHBondContact CB-OD1 3.28Å; Q293-D295 PolarHBondContact O-N 3.23Å; D295-T297 VanDerWaalsContact C-N 3.32Å; D295-T297 WeakPolarHBondContact OD1-CB 3.27Å; D295-T297 PolarHBondContact OD1-N 2.97Å; D295-T297 PolarHBondContact OD1-OG1 3.47Å; D295-T297 PolarHBondContact OD2-OG1 2.88Å |
| 296 | G | 90.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 60 Ų | 60 | 33% | 0.33 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 79.4 | 10.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R267 Q293 D294 | R267-G296 WeakPolarHBondContact CD-O 3.25Å; R267-G296 PolarHBondContact NH1-O 3.34Å; Q293-G296 PolarHBondContact O-N 3.37Å; D294-G296 PolarHBondContact O-N 3.29Å |
| 297 | T | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | trans | -88.8 | 172.6 | 167.2 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | I214 V242 V265 R267 Q293 D295 | I214-T297 HydrophobicContact CD1-CG2 3.87Å; V242-T297 HydrophobicContact CB-CG2 4.25Å; V242-T297 HydrophobicContact CG1-CG2 4.23Å; V242-T297 HydrophobicContact CG2-CG2 4.02Å; V265-T297 HydrophobicContact CG1-CG2 4.33Å; V265-T297 WeakPolarHBondContact CG1-OG1 3.37Å; R267-T297 HydrophobicContact CB-CG2 4.42Å; Q293-T297 PolarHBondContact N-O 2.88Å; Q293-T297 PolarHBondContact OE1-OG1 2.97Å; Q293-T297 VanDerWaalsContact OE1-OG1 3.1Å; D295-T297 VanDerWaalsContact C-N 3.32Å; D295-T297 WeakPolarHBondContact OD1-CB 3.27Å; D295-T297 PolarHBondContact OD1-N 2.97Å; D295-T297 PolarHBondContact OD1-OG1 3.47Å; D295-T297 PolarHBondContact OD2-OG1 2.88Å | ||
| 298 | T | 97.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.6 | 173.8 | -59.9 | 0 | 0 | 0 | 0 | 109.6 | S266 P269 H290 L291 V300 | S266-T298 PolarHBondContact N-O 2.78Å; S266-T298 VanDerWaalsContact N-O 3.11Å; S266-T298 PolarHBondContact O-N 2.83Å; P269-T298 HydrophobicContact CB-CG2 4.03Å; P269-T298 HydrophobicContact CG-CG2 3.93Å; H290-T298 HydrophobicContact CB-CG2 4.16Å; L291-T298 WeakPolarHBondContact O-CA 3.37Å; T298-V300 HydrophobicContact CG2-CG2 4.2Å |
| 299 | L | 97.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 20% | 0.199 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 118.5 | 168.6 | 172.8 | 62.6 | 0 | 0 | 0 | 108.4 | V265 L291 Q293 I301 | V265-L299 HydrophobicContact CG2-CB 4.26Å; V265-L299 HydrophobicContact CG2-CD1 3.71Å; L291-L299 HydrophobicContact CB-CB 4.32Å; L291-L299 HydrophobicContact CD1-CD2 4.26Å; L291-L299 PolarHBondContact N-O 2.71Å; L291-L299 PolarHBondContact O-N 3.44Å; Q293-L299 HydrophobicContact CG-CB 4.32Å; L299-I301 HydrophobicContact CD1-CG1 4.24Å; L299-I301 HydrophobicContact CD2-CD1 4.07Å; L299-I301 HydrophobicContact CD2-CG1 4.31Å; L299-I301 HydrophobicContact CG-CD1 4.29Å; L299-I301 HydrophobicContact CG-CG1 3.97Å |
| 300 | V | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.8 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 108 | T263 S264 P269 I272 T288 V289 T298 | T263-V300 CarbonylContact C-O 3.54Å; T263-V300 WeakPolarHBondContact CA-O 3.36Å; S264-V300 PolarHBondContact N-O 3.1Å; S264-V300 PolarHBondContact O-N 2.67Å; P269-V300 HydrophobicContact CB-CG2 4.16Å; I272-V300 HydrophobicContact CD1-CB 4.08Å; I272-V300 HydrophobicContact CD1-CG1 3.76Å; I272-V300 HydrophobicContact CG1-CG1 4.09Å; T288-V300 HydrophobicContact CG2-CG1 3.63Å; V289-V300 WeakPolarHBondContact O-CA 3.48Å; T298-V300 HydrophobicContact CG2-CG2 4.2Å |
| 301 | I | 97.5 | Very high | 92.2 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 23% | 0.226 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.6 | 177.4 | -52.9 | 179.9 | 0 | 0 | 0 | 107.1 | C262 T263 T288 V289 L291 L299 | C262-I301 WeakPolarHBondContact O-CA 3.36Å; T263-I301 HydrophobicContact CG2-CB 4.48Å; T263-I301 HydrophobicContact CG2-CG1 4.04Å; T263-I301 HydrophobicContact CG2-CG2 4.13Å; T288-I301 CarbonylContact C-O 3.57Å; T288-I301 VanDerWaalsContact CA-O 3.3Å; T288-I301 WeakPolarHBondContact CA-O 3.49Å; V289-I301 PolarHBondContact N-O 3.31Å; V289-I301 PolarHBondContact O-N 2.66Å; L291-I301 HydrophobicContact CD1-CD1 4.17Å; L299-I301 HydrophobicContact CD1-CG1 4.24Å; L299-I301 HydrophobicContact CD2-CD1 4.07Å; L299-I301 HydrophobicContact CD2-CG1 4.31Å; L299-I301 HydrophobicContact CG-CD1 4.29Å; L299-I301 HydrophobicContact CG-CG1 3.97Å |
| 302 | S | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.9 | 172.2 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | C262 I272 W274 V287 T288 | C262-S302 PolarHBondContact N-O 2.87Å; C262-S302 PolarHBondContact O-N 3.28Å; I272-S302 VanDerWaalsContact CG2-CB 3.49Å; W274-S302 WeakPolarHBondContact CZ2-O 3.45Å; W274-S302 PolarHBondContact NE1-OG 2.86Å; W274-S302 VanDerWaalsContact NE1-OG 3.1Å; V287-S302 CarbonylContact O-C 3.46Å; V287-S302 WeakPolarHBondContact O-CA 3.5Å; T288-S302 PolarHBondContact OG1-OG 2.84Å; T288-S302 VanDerWaalsContact OG1-OG 3.12Å |
| 303 | T | 96.5 | Very high | 90 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.4 | -178.7 | -60.5 | 0 | 0 | 0 | 0 | 109.6 | E259 A260 N261 P286 V287 | E259-T303 HydrophobicContact CG-CG2 3.49Å; E259-T303 VanDerWaalsContact CG-CG2 3.49Å; A260-T303 CarbonylContact O-C 3.51Å; A260-T303 VanDerWaalsContact O-CA 3.3Å; A260-T303 WeakPolarHBondContact O-CA 3.35Å; N261-T303 VanDerWaalsContact OD1-CB 3.28Å; N261-T303 WeakPolarHBondContact OD1-CB 3.43Å; N261-T303 WeakPolarHBondContact OD1-CG2 3.24Å; N261-T303 PolarHBondContact OD1-OG1 2.86Å; P286-T303 CarbonylContact C-O 3.59Å; P286-T303 VanDerWaalsContact CA-O 3.26Å; P286-T303 WeakPolarHBondContact CA-O 3.44Å; V287-T303 PolarHBondContact N-O 2.83Å; V287-T303 PolarHBondContact O-N 3.25Å |
| 304 | L | 95.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.4 | 173.2 | 176.2 | 69.7 | 0 | 0 | 0 | 109.5 | A260 W274 V276 T282 P286 V306 V316 | A260-L304 PolarHBondContact N-O 3.18Å; A260-L304 PolarHBondContact O-N 3.26Å; W274-L304 HydrophobicContact CB-CD2 3.84Å; W274-L304 HydrophobicContact CD2-CB 3.8Å; W274-L304 HydrophobicContact CD2-CD2 3.84Å; W274-L304 HydrophobicContact CD2-CG 4.45Å; W274-L304 HydrophobicContact CE3-CB 4.42Å; W274-L304 HydrophobicContact CE3-CD2 3.98Å; W274-L304 HydrophobicContact CG-CB 3.95Å; W274-L304 HydrophobicContact CG-CD2 3.81Å; W274-L304 HydrophobicContact CG-CG 4.39Å; W274-L304 HydrophobicContact CZ2-CB 4.15Å; V276-L304 HydrophobicContact CG1-CD2 3.89Å; T282-L304 HydrophobicContact CG2-CD1 4.07Å; P286-L304 HydrophobicContact CG-CD1 4.05Å; L304-V306 HydrophobicContact CD1-CG1 4.43Å; L304-V306 HydrophobicContact CD2-CG1 3.69Å; L304-V306 HydrophobicContact CG-CG1 3.72Å; L304-V316 HydrophobicContact CD2-CG1 4.26Å |
| 305 | T | 93.9 | Very high | 88.9 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 23% | 0.233 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132 | 173.6 | -49.2 | 0 | 0 | 0 | 0 | 109.8 | V257 I258 I283 | V257-T305 HydrophobicContact CG1-CG2 3.48Å; V257-T305 VanDerWaalsContact CG1-CG2 3.48Å; I258-T305 CarbonylContact O-C 3.59Å; I258-T305 WeakPolarHBondContact O-CA 3.17Å; I283-T305 HydrophobicContact CB-CG2 3.92Å; I283-T305 HydrophobicContact CD1-CG2 4.09Å; I283-T305 HydrophobicContact CG2-CG2 4.38Å; I283-T305 PolarHBondContact N-O 3.24Å |
| 306 | V | 92.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 157.6 | -177.4 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | I258 T282 L304 L310 | I258-V306 HydrophobicContact CB-CG2 4.11Å; I258-V306 PolarHBondContact N-O 2.6Å; I258-V306 PolarHBondContact O-N 3.38Å; T282-V306 HydrophobicContact CG2-CG1 4.24Å; L304-V306 HydrophobicContact CD1-CG1 4.43Å; L304-V306 HydrophobicContact CD2-CG1 3.69Å; L304-V306 HydrophobicContact CG-CG1 3.72Å; V306-L310 HydrophobicContact CB-CD2 3.67Å; V306-L310 HydrophobicContact CG1-CD2 3.63Å; V306-L310 HydrophobicContact CG2-CD2 4.22Å |
| 307 | Q | 90.3 | Very high | 89 | Confident | 98 Ų | 98 | 37.9 Ų | 37.9 | 46% | 0.458 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 142.9 | 168.6 | -61.7 | -179.5 | -4.3 | 0 | 0 | 110.7 | G256 R281 I283 G309 L310 | G256-Q307 CarbonylContact O-C 3.54Å; G256-Q307 WeakPolarHBondContact O-CA 3.15Å; R281-Q307 HydrophobicContact CB-CB 4.25Å; R281-Q307 HydrophobicContact CB-CG 4.47Å; R281-Q307 PolarHBondContact O-N 2.84Å; I283-Q307 HydrophobicContact CD1-CG 4.08Å; I283-Q307 HydrophobicContact CG1-CG 4.22Å; Q307-G309 PolarHBondContact O-N 3.27Å; Q307-G309 VanDerWaalsContact O-N 3.14Å; Q307-L310 WeakPolarHBondContact O-CB 3.47Å; Q307-L310 PolarHBondContact O-N 3.42Å |
| 308 | S | 83.9 | Confident | 88.9 | Confident | 50 Ų | 50 | 37.7 Ų | 37.7 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.9 | -176.1 | 66.8 | 0 | 0 | 0 | 0 | 114.2 | G256 L310 | G256-S308 WeakPolarHBondContact CA-OG 3.37Å; G256-S308 PolarHBondContact O-N 2.9Å; S308-L310 PolarHBondContact O-N 3.34Å |
| 309 | G | 79.1 | Confident | 88.9 | Confident | 25 Ų | 25 | 38.7 Ų | 38.7 | 26% | 0.258 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R281 Q307 L311 K312 | R281-G309 VanDerWaalsContact NH1-C 3.34Å; R281-G309 PolarHBondContact NH1-O 2.77Å; Q307-G309 PolarHBondContact O-N 3.27Å; Q307-G309 VanDerWaalsContact O-N 3.14Å; G309-L311 VanDerWaalsContact C-N 3.28Å; G309-L311 PolarHBondContact O-N 3.17Å; G309-K312 PolarHBondContact O-N 3.12Å |
| 310 | L | 82 | Confident | 88.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.6 | -42.2 | -178.2 | -179.1 | 65.5 | 0 | 0 | 0 | 112.3 | V276 D279 R281 V306 Q307 S308 K312 D313 V314 V316 | V276-L310 HydrophobicContact CG1-CD2 4.36Å; D279-L310 HydrophobicContact CB-CD1 3.45Å; D279-L310 VanDerWaalsContact CB-CD1 3.45Å; D279-L310 WeakPolarHBondContact OD1-CD1 3.14Å; D279-L310 WeakPolarHBondContact OD2-CD1 3.44Å; R281-L310 HydrophobicContact CB-CB 4.23Å; R281-L310 HydrophobicContact CB-CD1 4.35Å; V306-L310 HydrophobicContact CB-CD2 3.67Å; V306-L310 HydrophobicContact CG1-CD2 3.63Å; V306-L310 HydrophobicContact CG2-CD2 4.22Å; Q307-L310 WeakPolarHBondContact O-CB 3.47Å; Q307-L310 PolarHBondContact O-N 3.42Å; S308-L310 PolarHBondContact O-N 3.34Å; L310-K312 PolarHBondContact O-N 3.34Å; L310-D313 PolarHBondContact O-N 3.13Å; L310-V314 HydrophobicContact CD1-CB 3.75Å; L310-V314 HydrophobicContact CD1-CG1 4.24Å; L310-V314 HydrophobicContact CD1-CG2 3.76Å; L310-V314 HydrophobicContact CG-CB 4.28Å; L310-V314 WeakPolarHBondContact O-CB 3.45Å; L310-V314 PolarHBondContact O-N 2.75Å; L310-V316 HydrophobicContact CD2-CG2 3.79Å; L310-V316 HydrophobicContact CG-CG2 4.12Å |
| 311 | L | 78.4 | Confident | 88.9 | Confident | 20 Ų | 20 | 40.4 Ų | 40.4 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.4 | -10.9 | -173.5 | -59.2 | 176.2 | 0 | 0 | 0 | 114.5 | I258 G309 V316 M333 T335 | I258-L311 HydrophobicContact CB-CD1 4.45Å; I258-L311 HydrophobicContact CD1-CD1 3.25Å; I258-L311 HydrophobicContact CD1-CG 4.37Å; I258-L311 HydrophobicContact CG1-CD1 4.41Å; I258-L311 HydrophobicContact CG2-CD1 4.14Å; G309-L311 VanDerWaalsContact C-N 3.28Å; G309-L311 PolarHBondContact O-N 3.17Å; L311-V316 HydrophobicContact CD2-CB 4.12Å; L311-V316 HydrophobicContact CD2-CG2 3.57Å; L311-M333 HydrophobicContact CD1-CE 3.15Å; L311-M333 HydrophobicContact CD2-CE 3.34Å; L311-M333 HydrophobicContact CD2-SD 4.37Å; L311-M333 HydrophobicContact CG-CE 3.84Å; L311-T335 HydrophobicContact CB-CG2 4.11Å; L311-T335 HydrophobicContact CD1-CG2 3.79Å; L311-T335 HydrophobicContact CD2-CG2 4.47Å; L311-T335 HydrophobicContact CG-CG2 4.35Å |
| 312 | K | 73.6 | Confident | 88.9 | Confident | 176 Ų | 176 | 39.1 Ų | 39.1 | 77% | 0.765 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -78.1 | -35.1 | 172.8 | -66 | -175.9 | 178.4 | -178.6 | 0 | 111 | G309 L310 | G309-K312 PolarHBondContact O-N 3.12Å; L310-K312 PolarHBondContact O-N 3.34Å |
| 313 | D | 73.2 | Confident | 88.8 | Confident | 113 Ų | 113 | 47.1 Ų | 47.1 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -105.6 | -30.9 | -168.7 | -48 | -37.1 | 0 | 0 | 0 | 112.2 | R281 L310 | R281-D313 IonicContact CZ-OD2 3.53Å; R281-D313 IonicContact NH1-OD2 2.78Å; R281-D313 PolarHBondContact NH1-OD2 2.87Å; R281-D313 IonicContact NH2-OD2 3.07Å; R281-D313 PolarHBondContact NH2-OD2 2.88Å; R281-D313 VanDerWaalsContact NH2-OD2 3.07Å; L310-D313 PolarHBondContact O-N 3.13Å |
| 314 | V | 80.4 | Confident | 88.6 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | trans | -123.3 | 138 | -169.7 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | E277 D279 L310 V316 | E277-V314 HydrophobicContact CB-CG1 3.91Å; E277-V314 HydrophobicContact CG-CG1 4.03Å; D279-V314 HydrophobicContact CB-CG2 4.24Å; L310-V314 HydrophobicContact CD1-CB 3.75Å; L310-V314 HydrophobicContact CD1-CG1 4.24Å; L310-V314 HydrophobicContact CD1-CG2 3.76Å; L310-V314 HydrophobicContact CG-CB 4.28Å; L310-V314 WeakPolarHBondContact O-CB 3.45Å; L310-V314 PolarHBondContact O-N 2.75Å; V314-V316 PolarHBondContact O-N 2.93Å | ||
| 315 | S | 84.1 | Confident | 88.6 | Confident | 49 Ų | 49 | 48.9 Ų | 48.9 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | trans | -84.9 | 93.3 | 171.8 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | K317 | S315-K317 PolarHBondContact O-N 2.79Š| ||
| 316 | V | 89.4 | Confident | 88.6 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | trans | -66.9 | 122.3 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | W274 V276 L304 L310 L311 V314 M333 | W274-V316 HydrophobicContact CE3-CG1 3.61Å; W274-V316 HydrophobicContact CZ3-CG1 3.8Å; V276-V316 HydrophobicContact CG1-CG1 4.12Å; V276-V316 HydrophobicContact CG1-CG2 4.16Å; L304-V316 HydrophobicContact CD2-CG1 4.26Å; L310-V316 HydrophobicContact CD2-CG2 3.79Å; L310-V316 HydrophobicContact CG-CG2 4.12Å; L311-V316 HydrophobicContact CD2-CB 4.12Å; L311-V316 HydrophobicContact CD2-CG2 3.57Å; V314-V316 PolarHBondContact O-N 2.93Å; V316-M333 HydrophobicContact CB-CB 4.43Å; V316-M333 PolarHBondContact O-N 2.8Å | ||
| 317 | K | 92.8 | Very high | 88.8 | Confident | 64 Ų | 64 | 60.9 Ų | 60.9 | 28% | 0.278 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.7 | -178.4 | -65.4 | 173.7 | -172.3 | 169.1 | 0 | 111.1 | N275 S315 L319 V331 | N275-K317 HydrophobicContact CB-CB 4.4Å; N275-K317 PolarHBondContact N-O 2.96Å; N275-K317 PolarHBondContact O-N 2.82Å; S315-K317 PolarHBondContact O-N 2.79Å; K317-L319 HydrophobicContact CB-CD2 4.42Å; K317-V331 WeakPolarHBondContact CA-O 3.39Å |
| 318 | C | 95.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.1 | 164.5 | 176.3 | 0 | 0 | 0 | 0 | 109 | V248 C262 I272 W274 A330 V331 | V248-C318 HydrophobicContact CG2-CB 3.6Å; C262-C318 HydrophobicContact CB-CB 3.66Å; C262-C318 WeakPolarHBondContact CB-SG 3.47Å; C262-C318 WeakPolarHBondContact SG-CB 3.39Å; C262-C318 CovalentContact SG-SG 2.03Å; C262-C318 PolarHBondContact SG-SG 3.19Å; I272-C318 WeakPolarHBondContact CG2-SG 3.19Å; W274-C318 HydrophobicContact CE3-CB 4.29Å; W274-C318 HydrophobicContact CH2-CB 4.35Å; W274-C318 HydrophobicContact CZ3-CB 4.13Å; C318-A330 CarbonylContact O-C 3.53Å; C318-A330 WeakPolarHBondContact O-CA 3.06Å; C318-V331 PolarHBondContact N-O 3.26Å; C318-V331 PolarHBondContact O-N 3.37Å |
| 319 | L | 96.8 | Very high | 89.7 | Confident | 38 Ų | 38 | 59 Ų | 59 | 20% | 0.199 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 119.1 | 175.6 | -55.3 | -178.8 | 0 | 0 | 0 | 108.8 | I272 V273 N275 K317 I329 A330 | I272-L319 WeakPolarHBondContact CA-O 2.98Å; V273-L319 HydrophobicContact CB-CB 4.42Å; V273-L319 PolarHBondContact N-O 2.69Å; V273-L319 WeakPolarHBondContact O-CA 3.13Å; V273-L319 WeakPolarHBondContact O-CB 2.92Å; V273-L319 PolarHBondContact O-N 2.01Å; N275-L319 HydrophobicContact CB-CD1 3.97Å; N275-L319 HydrophobicContact CB-CG 4.24Å; K317-L319 HydrophobicContact CB-CD2 4.42Å; L319-I329 WeakPolarHBondContact CA-O 3.49Å; L319-A330 HydrophobicContact CD2-CB 3.58Å |
| 320 | V | 97.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 109.7 | -178 | -176.4 | 0 | 0 | 0 | 0 | 110 | P244 P246 A270 E271 I272 P328 I329 | P244-V320 HydrophobicContact CB-CG1 3.85Å; P244-V320 HydrophobicContact CG-CG1 4.01Å; P246-V320 HydrophobicContact CB-CB 4.33Å; P246-V320 HydrophobicContact CB-CG2 3.61Å; P246-V320 HydrophobicContact CG-CB 4.27Å; P246-V320 HydrophobicContact CG-CG2 4Å; A270-V320 HydrophobicContact CB-CG1 3.61Å; E271-V320 CarbonylContact O-C 3.57Å; E271-V320 WeakPolarHBondContact O-CA 3.43Å; I272-V320 HydrophobicContact CG1-CG2 4.11Å; V320-P328 VanDerWaalsContact O-CA 3.27Å; V320-P328 WeakPolarHBondContact O-CA 2.88Å; V320-I329 PolarHBondContact N-O 3.29Å; V320-I329 PolarHBondContact O-N 2.88Å |
| 321 | H | 97.7 | Very high | 91 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.2 | 178.6 | -66.7 | -100.3 | 0 | 0 | 0 | 110.3 | A270 E271 | A270-H321 CarbonylContact C-O 3.53Å; A270-H321 VanDerWaalsContact CA-O 3.31Å; A270-H321 WeakPolarHBondContact CA-O 3.48Å; A270-H321 WeakPolarHBondContact CB-O 3.46Å; E271-H321 HydrophobicContact CB-CB 4.23Å; E271-H321 PolarHBondContact N-O 3.42Å; E271-H321 PolarHBondContact O-N 3.39Å |
| 322 | H | 97.4 | Very high | 91.6 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | trans | -150.1 | 142.1 | 179.8 | -178 | -97.8 | 0 | 0 | 0 | 110.7 | P244 R267 P268 A270 G324 L325 | P244-H322 HydrophobicContact CG-CB 3.77Å; R267-H322 PolarHBondContact O-NE2 3.1Å; R267-H322 VanDerWaalsContact O-NE2 3.16Å; P268-H322 WeakPolarHBondContact CD-NE2 3.49Å; P268-H322 PolarHBondContact O-CD2 2.96Å; P268-H322 PolarHBondContact O-NE2 3.1Å; A270-H322 HydrophobicContact CB-CB 4.29Å; H322-G324 PolarHBondContact ND1-N 3.08Å; H322-G324 PolarHBondContact O-N 2.8Å; H322-G324 VanDerWaalsContact O-N 3.08Å; H322-L325 HydrophobicContact CB-CD1 4.1Å; H322-L325 HydrophobicContact CB-CG 4.26Å; H322-L325 PolarHBondContact O-N 3.04Å | ||
| 323 | K | 94.8 | Very high | 92.2 | Very high | 168 Ų | 168 | 56.4 Ų | 56.4 | 73% | 0.73 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.3 | -175.8 | -64.1 | -169.1 | -179.2 | -178.4 | 0 | 114.4 | Y241 P268 | Y241-K323 HydrophobicContact CE2-CB 3.75Å; P268-K323 HydrophobicContact CG-CB 4.41Å; P268-K323 HydrophobicContact CG-CD 4.12Å; P268-K323 HydrophobicContact CG-CG 4.32Å |
| 324 | G | 92.9 | Very high | 91.9 | Very high | 26 Ų | 26 | 55.6 Ų | 55.6 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 5.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L243 H322 | L243-G324 WeakPolarHBondContact CD2-O 3.5Å; H322-G324 PolarHBondContact ND1-N 3.08Å; H322-G324 PolarHBondContact O-N 2.8Å; H322-G324 VanDerWaalsContact O-N 3.08Å |
| 325 | L | 95.2 | Very high | 91.2 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | trans | -120.3 | 141 | 179.6 | -62.2 | 177.1 | 0 | 0 | 0 | 110.4 | L243 P244 H322 I329 | L243-L325 HydrophobicContact CD1-CD2 4.01Å; L243-L325 HydrophobicContact CD2-CD2 3.98Å; L243-L325 HydrophobicContact CD2-CG 4.24Å; L243-L325 HydrophobicContact CG-CD2 4.43Å; P244-L325 HydrophobicContact CG-CD1 3.78Å; H322-L325 HydrophobicContact CB-CD1 4.1Å; H322-L325 HydrophobicContact CB-CG 4.26Å; H322-L325 PolarHBondContact O-N 3.04Å; L325-I329 HydrophobicContact CD1-CD1 3.79Å; L325-I329 HydrophobicContact CD1-CG1 3.69Å | ||
| 326 | E | 94.2 | Very high | 90.1 | Very high | 209 Ų | 209 | 61.5 Ų | 61.5 | 98% | 0.977 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -74.2 | -31.1 | 174.1 | -65.5 | -179.8 | 174.5 | 0 | 0 | 112.1 | ||
| 327 | S | 95.3 | Very high | 88.6 | Confident | 83 Ų | 83 | 66.4 Ų | 66.4 | 58% | 0.58 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -136.3 | 148.8 | 179.4 | 63.2 | 0 | 0 | 0 | 0 | 111 | ||
| 328 | P | 96.7 | Very high | 87.1 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 148 | 178.5 | 27.7 | -34.8 | 0 | 0 | 0 | 112 | V320 | V320-P328 VanDerWaalsContact O-CA 3.27Å; V320-P328 WeakPolarHBondContact O-CA 2.88Å |
| 329 | I | 96.7 | Very high | 85.6 | Confident | 57 Ų | 57 | 69 Ų | 69 | 29% | 0.292 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 121.2 | 170.6 | -56.9 | 176 | 0 | 0 | 0 | 107.8 | P244 P246 L319 V320 L325 V331 | P244-I329 HydrophobicContact CG-CD1 4.13Å; P244-I329 WeakPolarHBondContact O-CD1 3.35Å; P246-I329 HydrophobicContact CG-CB 3.95Å; P246-I329 HydrophobicContact CG-CD1 4.29Å; P246-I329 HydrophobicContact CG-CG2 3.56Å; L319-I329 WeakPolarHBondContact CA-O 3.49Å; V320-I329 PolarHBondContact N-O 3.29Å; V320-I329 PolarHBondContact O-N 2.88Å; L325-I329 HydrophobicContact CD1-CD1 3.79Å; L325-I329 HydrophobicContact CD1-CG1 3.69Å; I329-V331 HydrophobicContact CG2-CG2 4.09Å |
| 330 | A | 95.3 | Very high | 84.1 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 50% | 0.496 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | C318 L319 | C318-A330 CarbonylContact O-C 3.53Å; C318-A330 WeakPolarHBondContact O-CA 3.06Å; L319-A330 HydrophobicContact CD2-CB 3.58Å |
| 331 | V | 93.8 | Very high | 82.7 | Confident | 37 Ų | 37 | 74.7 Ų | 74.7 | 22% | 0.224 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.8 | 175.1 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | P246 V248 K317 C318 I329 | P246-V331 HydrophobicContact CB-CG2 3.98Å; P246-V331 HydrophobicContact CG-CG2 3.59Å; V248-V331 HydrophobicContact CB-CG1 3.95Å; V248-V331 HydrophobicContact CG2-CB 3.74Å; V248-V331 HydrophobicContact CG2-CG1 3.55Å; K317-V331 WeakPolarHBondContact CA-O 3.39Å; C318-V331 PolarHBondContact N-O 3.26Å; C318-V331 PolarHBondContact O-N 3.37Å; I329-V331 HydrophobicContact CG2-CG2 4.09Å |
| 332 | S | 89.8 | Confident | 81.4 | Confident | 56 Ų | 56 | 75.5 Ų | 75.5 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 145.9 | 178.7 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | N334 | S332-N334 PolarHBondContact O-N 2.93Å |
| 333 | M | 85.9 | Confident | 80.6 | Confident | 13 Ų | 13 | 79.6 Ų | 79.6 | 6% | 0.064 | 45% | 0.454 | C | S | . | . | trans | -74.1 | 109.2 | 171.9 | -148.7 | 165.4 | 101.2 | 0 | 0 | 109.9 | V248 Y250 I258 A260 L311 V316 T335 | V248-M333 HydrophobicContact CG1-CB 4.31Å; V248-M333 HydrophobicContact CG1-CG 3.9Å; Y250-M333 HydrophobicContact CD1-CE 3.9Å; Y250-M333 HydrophobicContact CD1-CG 3.46Å; Y250-M333 VanDerWaalsContact CD1-CG 3.46Å; Y250-M333 HydrophobicContact CD1-SD 4.07Å; Y250-M333 HydrophobicContact CD2-CE 4.01Å; Y250-M333 HydrophobicContact CE1-CG 4.09Å; Y250-M333 HydrophobicContact CG-CE 3.58Å; Y250-M333 HydrophobicContact CG-CG 4.06Å; Y250-M333 HydrophobicContact CG-SD 4.05Å; I258-M333 HydrophobicContact CG2-CE 3.95Å; A260-M333 HydrophobicContact CB-CE 4.41Å; A260-M333 HydrophobicContact CB-SD 3.37Å; A260-M333 WeakPolarHBondContact CB-SD 3.21Å; L311-M333 HydrophobicContact CD1-CE 3.15Å; L311-M333 HydrophobicContact CD2-CE 3.34Å; L311-M333 HydrophobicContact CD2-SD 4.37Å; L311-M333 HydrophobicContact CG-CE 3.84Å; V316-M333 HydrophobicContact CB-CB 4.43Å; V316-M333 PolarHBondContact O-N 2.8Å; M333-T335 HydrophobicContact CE-CG2 4.2Å; M333-T335 PolarHBondContact O-N 2.96Å; M333-T335 VanDerWaalsContact O-N 3.13Å | ||
| 334 | N | 67.4 | Low | 80.1 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | trans | -87.2 | 87.3 | -171.4 | -148.2 | -17.9 | 0 | 0 | 0 | 111.3 | Y250 S332 I337 | Y250-N334 PolarHBondContact OH-O 2.81Å; S332-N334 PolarHBondContact O-N 2.93Å; N334-I337 HydrophobicContact CB-CD1 4.17Å; N334-I337 VanDerWaalsContact CG-CD1 3.47Å; N334-I337 WeakPolarHBondContact ND2-CD1 3.33Å | ||
| 335 | T | 65.6 | Low | 79.7 | Confident | 36 Ų | 36 | 80 Ų | 80 | 22% | 0.221 | 46% | 0.457 | C | S | . | . | trans | -86.9 | -18.1 | -179.3 | 56 | 0 | 0 | 0 | 0 | 113.5 | Y250 L311 M333 | Y250-T335 HydrophobicContact CE1-CG2 4.26Å; Y250-T335 HydrophobicContact CE2-CG2 4.34Å; Y250-T335 WeakPolarHBondContact OH-CA 3.38Å; L311-T335 HydrophobicContact CB-CG2 4.11Å; L311-T335 HydrophobicContact CD1-CG2 3.79Å; L311-T335 HydrophobicContact CD2-CG2 4.47Å; L311-T335 HydrophobicContact CG-CG2 4.35Å; M333-T335 HydrophobicContact CE-CG2 4.2Å; M333-T335 PolarHBondContact O-N 2.96Å; M333-T335 VanDerWaalsContact O-N 3.13Å | ||
| 336 | K | 61.3 | Low | 79.3 | Confident | 156 Ų | 156 | 80.3 Ų | 80.3 | 68% | 0.678 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -83.7 | -15.8 | -173.3 | -63.5 | -175.4 | 179.5 | -179.5 | 0 | 114.2 | T339 A340 | K336-T339 WeakPolarHBondContact CA-OG1 3.2Å; K336-T339 PolarHBondContact O-OG1 2.65Å; K336-A340 WeakPolarHBondContact O-CB 3.45Å; K336-A340 PolarHBondContact O-N 2.69Å |
| 337 | I | 58.4 | Low | 79.3 | Confident | 105 Ų | 105 | 74.5 Ų | 74.5 | 54% | 0.538 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 179.7 | -77.9 | 172.5 | 0 | 0 | 0 | 111.6 | N334 T339 A340 L341 | N334-I337 HydrophobicContact CB-CD1 4.17Å; N334-I337 VanDerWaalsContact CG-CD1 3.47Å; N334-I337 WeakPolarHBondContact ND2-CD1 3.33Å; I337-T339 PolarHBondContact O-N 3.17Å; I337-A340 PolarHBondContact O-N 3.06Å; I337-L341 WeakPolarHBondContact O-CB 3.49Å; I337-L341 PolarHBondContact O-N 2.79Å |
| 338 | G | 60.2 | Low | 79.1 | Confident | 41 Ų | 41 | 74.3 Ų | 74.3 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L341 T342 | G338-L341 PolarHBondContact O-N 3.06Å; G338-T342 WeakPolarHBondContact O-CG2 3.21Å; G338-T342 PolarHBondContact O-N 2.77Å; G338-T342 PolarHBondContact O-OG1 2.77Å |
| 339 | T | 65.3 | Low | 78.9 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 48% | 0.479 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 178 | 48.2 | 0 | 0 | 0 | 0 | 112.9 | K336 I337 T342 I343 | K336-T339 WeakPolarHBondContact CA-OG1 3.2Å; K336-T339 PolarHBondContact O-OG1 2.65Å; I337-T339 PolarHBondContact O-N 3.17Å; T339-T342 WeakPolarHBondContact CA-OG1 3.33Å; T339-T342 PolarHBondContact O-OG1 3.48Å; T339-I343 WeakPolarHBondContact O-CB 3.39Å; T339-I343 VanDerWaalsContact O-CD1 3.32Å; T339-I343 WeakPolarHBondContact O-CD1 3.49Å; T339-I343 WeakPolarHBondContact O-CG1 3.44Å; T339-I343 PolarHBondContact O-N 3.3Å |
| 340 | A | 64.6 | Low | 78.8 | Confident | 57 Ų | 57 | 76.4 Ų | 76.4 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K336 I337 I343 L344 | K336-A340 WeakPolarHBondContact O-CB 3.45Å; K336-A340 PolarHBondContact O-N 2.69Å; I337-A340 PolarHBondContact O-N 3.06Å; A340-I343 PolarHBondContact O-N 3.21Å; A340-L344 VanDerWaalsContact O-CB 3.29Å; A340-L344 WeakPolarHBondContact O-CB 3.28Å; A340-L344 PolarHBondContact O-N 2.81Å |
| 341 | L | 68.9 | Low | 78.7 | Confident | 101 Ų | 101 | 75.9 Ų | 75.9 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 177.7 | -163.4 | 76.2 | 0 | 0 | 0 | 111.6 | I337 G338 L344 I345 | I337-L341 WeakPolarHBondContact O-CB 3.49Å; I337-L341 PolarHBondContact O-N 2.79Å; G338-L341 PolarHBondContact O-N 3.06Å; L341-L344 PolarHBondContact O-N 3.44Å; L341-I345 HydrophobicContact CD2-CD1 4.47Å; L341-I345 HydrophobicContact CG-CD1 4.07Å; L341-I345 WeakPolarHBondContact O-CB 3.48Å; L341-I345 WeakPolarHBondContact O-CD1 3.44Å; L341-I345 WeakPolarHBondContact O-CG1 3.13Å; L341-I345 PolarHBondContact O-N 3.17Å |
| 342 | T | 70.4 | Confident | 78.7 | Confident | 89 Ų | 89 | 76.8 Ų | 76.8 | 55% | 0.546 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 175.2 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | G338 T339 I345 S346 | G338-T342 WeakPolarHBondContact O-CG2 3.21Å; G338-T342 PolarHBondContact O-N 2.77Å; G338-T342 PolarHBondContact O-OG1 2.77Å; T339-T342 WeakPolarHBondContact CA-OG1 3.33Å; T339-T342 PolarHBondContact O-OG1 3.48Å; T342-I345 PolarHBondContact O-N 3.13Å; T342-S346 WeakPolarHBondContact O-CB 3.45Å; T342-S346 PolarHBondContact O-N 3.49Å; T342-S346 PolarHBondContact O-OG 2.95Å |
| 343 | I | 80.3 | Confident | 78.9 | Confident | 104 Ų | 104 | 80.1 Ų | 80.1 | 53% | 0.533 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 172.6 | -68.9 | 164.6 | 0 | 0 | 0 | 109.9 | T339 A340 I345 S346 V347 | T339-I343 WeakPolarHBondContact O-CB 3.39Å; T339-I343 VanDerWaalsContact O-CD1 3.32Å; T339-I343 WeakPolarHBondContact O-CD1 3.49Å; T339-I343 WeakPolarHBondContact O-CG1 3.44Å; T339-I343 PolarHBondContact O-N 3.3Å; A340-I343 PolarHBondContact O-N 3.21Å; I343-I345 PolarHBondContact O-N 2.83Å; I343-S346 WeakPolarHBondContact CA-OG 3.31Å; I343-S346 PolarHBondContact O-N 2.8Å; I343-S346 PolarHBondContact O-OG 2.95Å; I343-V347 HydrophobicContact CG2-CG2 4.2Å; I343-V347 VanDerWaalsContact O-CG2 3.3Å; I343-V347 WeakPolarHBondContact O-CG2 3.41Å; I343-V347 PolarHBondContact O-N 3.33Å |
| 344 | L | 83 | Confident | 79.3 | Confident | 107 Ų | 107 | 84.7 Ų | 84.7 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.2 | -44.9 | 179.7 | -171.2 | 68.3 | 0 | 0 | 0 | 112.1 | A340 L341 V347 T348 | A340-L344 VanDerWaalsContact O-CB 3.29Å; A340-L344 WeakPolarHBondContact O-CB 3.28Å; A340-L344 PolarHBondContact O-N 2.81Å; L341-L344 PolarHBondContact O-N 3.44Å; L344-V347 PolarHBondContact O-N 2.82Å; L344-T348 WeakPolarHBondContact O-CB 3.06Å; L344-T348 WeakPolarHBondContact O-CG2 3.31Å; L344-T348 PolarHBondContact O-N 3.21Å; L344-T348 PolarHBondContact O-OG1 2.91Å |
| 345 | I | 85.5 | Confident | 80.6 | Confident | 94 Ų | 94 | 84.2 Ų | 84.2 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 175.7 | -66 | 164.1 | 0 | 0 | 0 | 110.7 | L341 T342 I343 T348 T349 | L341-I345 HydrophobicContact CD2-CD1 4.47Å; L341-I345 HydrophobicContact CG-CD1 4.07Å; L341-I345 WeakPolarHBondContact O-CB 3.48Å; L341-I345 WeakPolarHBondContact O-CD1 3.44Å; L341-I345 WeakPolarHBondContact O-CG1 3.13Å; L341-I345 PolarHBondContact O-N 3.17Å; T342-I345 PolarHBondContact O-N 3.13Å; I343-I345 PolarHBondContact O-N 2.83Å; I345-T348 WeakPolarHBondContact CA-OG1 3.46Å; I345-T348 PolarHBondContact O-OG1 3Å; I345-T349 HydrophobicContact CG2-CG2 4.36Å; I345-T349 WeakPolarHBondContact O-CB 3.49Å; I345-T349 VanDerWaalsContact O-CG2 3.24Å; I345-T349 WeakPolarHBondContact O-CG2 3.5Å; I345-T349 PolarHBondContact O-N 2.83Å; I345-T349 PolarHBondContact O-OG1 3.22Å |
| 346 | S | 87.4 | Confident | 81.8 | Confident | 57 Ų | 57 | 88.8 Ų | 88.8 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.3 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | T342 I343 T349 V350 | T342-S346 WeakPolarHBondContact O-CB 3.45Å; T342-S346 PolarHBondContact O-N 3.49Å; T342-S346 PolarHBondContact O-OG 2.95Å; I343-S346 WeakPolarHBondContact CA-OG 3.31Å; I343-S346 PolarHBondContact O-N 2.8Å; I343-S346 PolarHBondContact O-OG 2.95Å; S346-T349 WeakPolarHBondContact CA-OG1 3.33Å; S346-T349 PolarHBondContact O-OG1 3.5Å; S346-V350 VanDerWaalsContact O-CG2 3.26Å; S346-V350 WeakPolarHBondContact O-CG2 3.33Å; S346-V350 PolarHBondContact O-N 2.83Å; S346-V350 VanDerWaalsContact O-N 3.08Å |
| 347 | V | 93 | Very high | 83.1 | Confident | 87 Ų | 87 | 84.5 Ų | 84.5 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 179.9 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I343 L344 V350 A351 | I343-V347 HydrophobicContact CG2-CG2 4.2Å; I343-V347 VanDerWaalsContact O-CG2 3.3Å; I343-V347 WeakPolarHBondContact O-CG2 3.41Å; I343-V347 PolarHBondContact O-N 3.33Å; L344-V347 PolarHBondContact O-N 2.82Å; V347-V350 PolarHBondContact O-N 3.37Å; V347-A351 WeakPolarHBondContact O-CB 3.39Å; V347-A351 PolarHBondContact O-N 3.01Å |
| 348 | T | 91.8 | Very high | 84.7 | Confident | 78 Ų | 78 | 84.6 Ų | 84.6 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 178.4 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | L344 I345 A351 A352 | L344-T348 WeakPolarHBondContact O-CB 3.06Å; L344-T348 WeakPolarHBondContact O-CG2 3.31Å; L344-T348 PolarHBondContact O-N 3.21Å; L344-T348 PolarHBondContact O-OG1 2.91Å; I345-T348 WeakPolarHBondContact CA-OG1 3.46Å; I345-T348 PolarHBondContact O-OG1 3Å; T348-A351 PolarHBondContact O-N 2.88Å; T348-A352 WeakPolarHBondContact O-CB 3.35Å; T348-A352 PolarHBondContact O-N 2.9Å |
| 349 | T | 92.1 | Very high | 86 | Confident | 71 Ų | 71 | 86 Ų | 86 | 44% | 0.436 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 175.8 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | I345 S346 A352 L353 | I345-T349 HydrophobicContact CG2-CG2 4.36Å; I345-T349 WeakPolarHBondContact O-CB 3.49Å; I345-T349 VanDerWaalsContact O-CG2 3.24Å; I345-T349 WeakPolarHBondContact O-CG2 3.5Å; I345-T349 PolarHBondContact O-N 2.83Å; I345-T349 PolarHBondContact O-OG1 3.22Å; S346-T349 WeakPolarHBondContact CA-OG1 3.33Å; S346-T349 PolarHBondContact O-OG1 3.5Å; T349-A352 PolarHBondContact O-N 2.78Å; T349-L353 WeakPolarHBondContact O-CG 3.41Å; T349-L353 PolarHBondContact O-N 2.87Å |
| 350 | V | 94.9 | Very high | 87.2 | Confident | 82 Ų | 82 | 87.8 Ų | 87.8 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | S346 V347 A352 L353 L354 | S346-V350 VanDerWaalsContact O-CG2 3.26Å; S346-V350 WeakPolarHBondContact O-CG2 3.33Å; S346-V350 PolarHBondContact O-N 2.83Å; S346-V350 VanDerWaalsContact O-N 3.08Å; V347-V350 PolarHBondContact O-N 3.37Å; V350-A352 VanDerWaalsContact C-N 3.34Å; V350-A352 PolarHBondContact O-N 2.84Å; V350-L353 PolarHBondContact O-N 3.11Å; V350-L354 HydrophobicContact CG1-CD1 4.22Å; V350-L354 WeakPolarHBondContact O-CG 3.33Å; V350-L354 PolarHBondContact O-N 2.78Å |
| 351 | A | 93.9 | Very high | 88.2 | Confident | 49 Ų | 49 | 88.2 Ų | 88.2 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V347 T348 L353 L354 V355 | V347-A351 WeakPolarHBondContact O-CB 3.39Å; V347-A351 PolarHBondContact O-N 3.01Å; T348-A351 PolarHBondContact O-N 2.88Å; A351-L353 PolarHBondContact O-N 2.88Å; A351-L354 PolarHBondContact O-N 2.84Å; A351-V355 WeakPolarHBondContact O-CG2 3.46Å; A351-V355 PolarHBondContact O-N 3.22Å |
| 352 | A | 93.3 | Very high | 88.9 | Confident | 56 Ų | 56 | 89 Ų | 89 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T348 T349 V350 V355 M356 | T348-A352 WeakPolarHBondContact O-CB 3.35Å; T348-A352 PolarHBondContact O-N 2.9Å; T349-A352 PolarHBondContact O-N 2.78Å; V350-A352 VanDerWaalsContact C-N 3.34Å; V350-A352 PolarHBondContact O-N 2.84Å; A352-V355 PolarHBondContact O-N 2.81Å; A352-M356 WeakPolarHBondContact O-CB 3.42Å; A352-M356 WeakPolarHBondContact O-CG 3.15Å; A352-M356 PolarHBondContact O-N 2.8Å |
| 353 | L | 94.3 | Very high | 89.5 | Confident | 126 Ų | 126 | 93 Ų | 93 | 66% | 0.66 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 176.7 | -70.9 | 173.3 | 0 | 0 | 0 | 112.4 | T349 V350 A351 M356 S357 | T349-L353 WeakPolarHBondContact O-CG 3.41Å; T349-L353 PolarHBondContact O-N 2.87Å; V350-L353 PolarHBondContact O-N 3.11Å; A351-L353 PolarHBondContact O-N 2.88Å; L353-M356 PolarHBondContact O-N 2.79Å; L353-S357 WeakPolarHBondContact O-CB 3.37Å; L353-S357 PolarHBondContact O-N 2.94Å |
| 354 | L | 94.1 | Very high | 89.5 | Confident | 109 Ų | 109 | 94.2 Ų | 94.2 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 176.3 | -71.9 | 173.5 | 0 | 0 | 0 | 112 | V350 A351 S357 L358 | V350-L354 HydrophobicContact CG1-CD1 4.22Å; V350-L354 WeakPolarHBondContact O-CG 3.33Å; V350-L354 PolarHBondContact O-N 2.78Å; A351-L354 PolarHBondContact O-N 2.84Å; L354-S357 PolarHBondContact O-N 2.93Å; L354-L358 WeakPolarHBondContact O-CB 3.24Å; L354-L358 WeakPolarHBondContact O-CG 3.33Å; L354-L358 PolarHBondContact O-N 2.83Å |
| 355 | V | 93.9 | Very high | 89.2 | Confident | 85 Ų | 85 | 93.4 Ų | 93.4 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | A351 A352 S357 L358 C359 | A351-V355 WeakPolarHBondContact O-CG2 3.46Å; A351-V355 PolarHBondContact O-N 3.22Å; A352-V355 PolarHBondContact O-N 2.81Å; V355-S357 VanDerWaalsContact C-N 3.33Å; V355-S357 PolarHBondContact O-N 2.93Å; V355-L358 PolarHBondContact O-N 3.27Å; V355-C359 WeakPolarHBondContact O-CB 3.14Å; V355-C359 PolarHBondContact O-N 3.05Å; V355-C359 PolarHBondContact O-SG 2.8Å |
| 356 | M | 90.6 | Very high | 88.5 | Confident | 132 Ų | 132 | 96 Ų | 96 | 65% | 0.65 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 176.6 | -74.3 | -62.5 | -65.2 | 0 | 0 | 112.3 | A352 L353 C359 F360 | A352-M356 WeakPolarHBondContact O-CB 3.42Å; A352-M356 WeakPolarHBondContact O-CG 3.15Å; A352-M356 PolarHBondContact O-N 2.8Å; L353-M356 PolarHBondContact O-N 2.79Å; M356-C359 PolarHBondContact O-N 3.05Å; M356-F360 WeakPolarHBondContact O-CB 3.48Å; M356-F360 PolarHBondContact O-N 2.92Å |
| 357 | S | 89.7 | Confident | 87.3 | Confident | 67 Ų | 67 | 97.3 Ų | 97.3 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 174.4 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | L353 L354 V355 F360 C361 | L353-S357 WeakPolarHBondContact O-CB 3.37Å; L353-S357 PolarHBondContact O-N 2.94Å; L354-S357 PolarHBondContact O-N 2.93Å; V355-S357 VanDerWaalsContact C-N 3.33Å; V355-S357 PolarHBondContact O-N 2.93Å; S357-F360 PolarHBondContact O-N 3.38Å; S357-C361 WeakPolarHBondContact O-CB 3.38Å; S357-C361 PolarHBondContact O-N 3.05Å; S357-C361 PolarHBondContact O-SG 3.49Å |
| 358 | L | 90.9 | Very high | 85.6 | Confident | 107 Ų | 107 | 103 Ų | 103 | 56% | 0.56 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.3 | -45.5 | 176.1 | -83.7 | 159.3 | 0 | 0 | 0 | 111.2 | L354 V355 F360 C361 L362 | L354-L358 WeakPolarHBondContact O-CB 3.24Å; L354-L358 WeakPolarHBondContact O-CG 3.33Å; L354-L358 PolarHBondContact O-N 2.83Å; V355-L358 PolarHBondContact O-N 3.27Å; L358-F360 VanDerWaalsContact C-N 3.31Å; L358-F360 PolarHBondContact O-N 3.18Å; L358-C361 PolarHBondContact O-N 2.98Å; L358-L362 WeakPolarHBondContact O-CB 3.24Å; L358-L362 VanDerWaalsContact O-CG 3.26Å; L358-L362 WeakPolarHBondContact O-CG 3.48Å; L358-L362 PolarHBondContact O-N 3.04Å |
| 359 | C | 89.1 | Confident | 84 | Confident | 70 Ų | 70 | 107.4 Ų | 107.4 | 47% | 0.473 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.2 | -42.5 | 174.8 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | V355 M356 L362 W363 | V355-C359 WeakPolarHBondContact O-CB 3.14Å; V355-C359 PolarHBondContact O-N 3.05Å; V355-C359 PolarHBondContact O-SG 2.8Å; M356-C359 PolarHBondContact O-N 3.05Å; C359-L362 PolarHBondContact O-N 2.77Å; C359-W363 VanDerWaalsContact O-CB 3.28Å; C359-W363 WeakPolarHBondContact O-CB 3.41Å; C359-W363 PolarHBondContact O-N 3.46Å |
| 360 | F | 89.1 | Confident | 82.2 | Confident | 116 Ų | 116 | 110.6 Ų | 110.6 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.4 | -42.3 | 176.1 | -176.6 | -98.2 | 0 | 0 | 0 | 112.5 | M356 S357 L358 W363 K364 | M356-F360 WeakPolarHBondContact O-CB 3.48Å; M356-F360 PolarHBondContact O-N 2.92Å; S357-F360 PolarHBondContact O-N 3.38Å; L358-F360 VanDerWaalsContact C-N 3.31Å; L358-F360 PolarHBondContact O-N 3.18Å; F360-W363 PolarHBondContact O-N 2.05Å; F360-K364 HydrophobicContact CD1-CG 4.34Å; F360-K364 HydrophobicContact CE1-CD 4.41Å; F360-K364 HydrophobicContact CE1-CG 3.95Å; F360-K364 HydrophobicContact CZ-CD 4.46Å; F360-K364 HydrophobicContact CZ-CG 4.13Å; F360-K364 WeakPolarHBondContact O-CB 3.04Å; F360-K364 WeakPolarHBondContact O-CG 3.44Å; F360-K364 PolarHBondContact O-N 2.89Å |
| 361 | C | 85.5 | Confident | 80.2 | Confident | 65 Ų | 65 | 113.6 Ų | 113.6 | 44% | 0.439 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.7 | -46 | 174.8 | -70.8 | 0 | 0 | 0 | 0 | 111.5 | S357 L358 W363 K364 C365 | S357-C361 WeakPolarHBondContact O-CB 3.38Å; S357-C361 PolarHBondContact O-N 3.05Å; S357-C361 PolarHBondContact O-SG 3.49Å; L358-C361 PolarHBondContact O-N 2.98Å; C361-W363 VanDerWaalsContact C-N 3.34Å; C361-W363 PolarHBondContact O-N 3.17Å; C361-K364 PolarHBondContact O-N 3.04Å; C361-C365 WeakPolarHBondContact O-CB 3.44Å; C361-C365 PolarHBondContact O-N 2.98Å; C361-C365 PolarHBondContact O-SG 3.27Å |
| 362 | L | 83.9 | Confident | 77.9 | Confident | 118 Ų | 118 | 121.2 Ų | 121.2 | 62% | 0.618 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.6 | -41.4 | 176.5 | -71.4 | 172.7 | 0 | 0 | 0 | 111.4 | L358 C359 C365 F366 | L358-L362 WeakPolarHBondContact O-CB 3.24Å; L358-L362 VanDerWaalsContact O-CG 3.26Å; L358-L362 WeakPolarHBondContact O-CG 3.48Å; L358-L362 PolarHBondContact O-N 3.04Å; C359-L362 PolarHBondContact O-N 2.77Å; L362-C365 PolarHBondContact O-N 2.73Å; L362-F366 WeakPolarHBondContact O-CB 3.48Å; L362-F366 PolarHBondContact O-N 2.76Å |
| 363 | W | 82.9 | Confident | 77.1 | Confident | 172 Ų | 172 | 124.5 Ų | 124.5 | 65% | 0.652 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.3 | -44.6 | 175.6 | -170.9 | 7.9 | 0 | 0 | 0 | 111.8 | C359 F360 C361 C365 F366 L367 | C359-W363 VanDerWaalsContact O-CB 3.28Å; C359-W363 WeakPolarHBondContact O-CB 3.41Å; C359-W363 PolarHBondContact O-N 3.46Å; F360-W363 PolarHBondContact O-N 2.05Å; C361-W363 VanDerWaalsContact C-N 3.34Å; C361-W363 PolarHBondContact O-N 3.17Å; W363-C365 VanDerWaalsContact C-N 3.34Å; W363-C365 PolarHBondContact O-N 2.96Å; W363-F366 PolarHBondContact O-N 2.56Å; W363-L367 HydrophobicContact CG-CD1 4.42Å; W363-L367 PolarHBondContact O-N 3.16Å |
| 364 | K | 80.7 | Confident | 76.2 | Confident | 131 Ų | 131 | 124.4 Ų | 124.4 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61 | -39.4 | 173.1 | -82.8 | -107.1 | 178.2 | 175.6 | 0 | 112.6 | F360 C361 R368 | F360-K364 HydrophobicContact CD1-CG 4.34Å; F360-K364 HydrophobicContact CE1-CD 4.41Å; F360-K364 HydrophobicContact CE1-CG 3.95Å; F360-K364 HydrophobicContact CZ-CD 4.46Å; F360-K364 HydrophobicContact CZ-CG 4.13Å; F360-K364 WeakPolarHBondContact O-CB 3.04Å; F360-K364 WeakPolarHBondContact O-CG 3.44Å; F360-K364 PolarHBondContact O-N 2.89Å; C361-K364 PolarHBondContact O-N 3.04Å; K364-R368 VanDerWaalsContact O-CB 3.3Å; K364-R368 WeakPolarHBondContact O-CB 3.32Å; K364-R368 PolarHBondContact O-N 3.07Å |
| 365 | C | 75.9 | Confident | 75.2 | Confident | 89 Ų | 89 | 125.3 Ų | 125.3 | 60% | 0.601 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.7 | -34.7 | 175.7 | -73.2 | 0 | 0 | 0 | 0 | 112.5 | C361 L362 W363 K369 | C361-C365 WeakPolarHBondContact O-CB 3.44Å; C361-C365 PolarHBondContact O-N 2.98Å; C361-C365 PolarHBondContact O-SG 3.27Å; L362-C365 PolarHBondContact O-N 2.73Å; W363-C365 VanDerWaalsContact C-N 3.34Å; W363-C365 PolarHBondContact O-N 2.96Å; C365-K369 PolarHBondContact O-N 2.9Å |
| 366 | F | 71.4 | Confident | 74.1 | Confident | 150 Ų | 150 | 127.6 Ų | 127.6 | 66% | 0.658 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.1 | -46.6 | 178.9 | -148.1 | -84.9 | 0 | 0 | 0 | 111.6 | L362 W363 R368 K369 | L362-F366 WeakPolarHBondContact O-CB 3.48Å; L362-F366 PolarHBondContact O-N 2.76Å; W363-F366 PolarHBondContact O-N 2.56Å; F366-R368 VanDerWaalsContact C-N 3.3Å; F366-R368 PolarHBondContact O-N 3.07Å; F366-K369 WeakPolarHBondContact O-CB 3.29Å; F366-K369 PolarHBondContact O-N 3.2Å; F366-K369 VanDerWaalsContact O-N 3.1Å |
| 367 | L | 61.5 | Low | 73.1 | Confident | 84 Ų | 84 | 127.4 Ų | 127.4 | 44% | 0.44 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61 | -39.2 | 176.6 | -76 | 169 | 0 | 0 | 0 | 112.2 | W363 K369 E370 | W363-L367 HydrophobicContact CG-CD1 4.42Å; W363-L367 PolarHBondContact O-N 3.16Å; L367-K369 PolarHBondContact O-N 3.31Å; L367-E370 PolarHBondContact O-N 2.98Å |
| 368 | R | 58.9 | Low | 72 | Confident | 207 Ų | 207 | 131.4 Ų | 131.4 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -9.6 | 179.5 | -160.4 | 173.3 | 165.7 | -167.5 | -5.2 | 113.5 | K364 F366 | K364-R368 VanDerWaalsContact O-CB 3.3Å; K364-R368 WeakPolarHBondContact O-CB 3.32Å; K364-R368 PolarHBondContact O-N 3.07Å; F366-R368 VanDerWaalsContact C-N 3.3Å; F366-R368 PolarHBondContact O-N 3.07Å |
| 369 | K | 57.2 | Low | 70.7 | Confident | 170 Ų | 170 | 133.1 Ų | 133.1 | 74% | 0.739 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -9.5 | 175.3 | -160 | 176.9 | 178.5 | 177.2 | 0 | 112.6 | C365 F366 L367 | C365-K369 PolarHBondContact O-N 2.9Å; F366-K369 WeakPolarHBondContact O-CB 3.29Å; F366-K369 PolarHBondContact O-N 3.2Å; F366-K369 VanDerWaalsContact O-N 3.1Å; L367-K369 PolarHBondContact O-N 3.31Å |
| 370 | E | 55.5 | Low | 69.2 | Low | 137 Ų | 137 | 138 Ų | 138 | 64% | 0.64 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -91.6 | -9.6 | 173.3 | -77.1 | 178.3 | 145.6 | 0 | 0 | 112.9 | L367 | L367-E370 PolarHBondContact O-N 2.98Š|
| 371 | D | 51.8 | Low | 67.6 | Low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | trans | -101.1 | 2.7 | -178.4 | -74.4 | -31.8 | 0 | 0 | 0 | 114.4 | ||||
| 372 | D | 45.8 | Very low | 66 | Low | 210 Ų | 210 | 146.6 Ų | 146.6 | 100% | 1.123 | 69% | 0.691 | S | S | * | * | trans | -119.1 | 0 | 169.7 | -99.2 | -17.7 | 0 | 0 | 0 | 108.9 |
Retrieved 372 of 372 residues in 198.4 ms
(Link to these results)