| 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 | 36.6 | Very low | 32.1 | Very low | 249 Ų | 249 | 170.9 Ų | 170.9 | 100% | 1.227 | 86% | 0.864 | S | S | * | * | 0 | 107.6 | 0 | -163.5 | 162.4 | 176.1 | 0 | 0 | 107 | |||||
| 2 | M | 33 | Very low | 32.8 | Very low | 179 Ų | 179 | 168.6 Ų | 168.6 | 88% | 0.882 | 86% | 0.856 | S | S | * | * | trans | -64 | 150.4 | -178.7 | -83.6 | 169.8 | 165.1 | 0 | 0 | 111.5 | ||||
| 3 | L | 25.5 | Very low | 33.3 | Very low | 147 Ų | 147 | 170.3 Ų | 170.3 | 77% | 0.77 | 86% | 0.858 | S | S | * | * | -165.7 | 106.5 | 113.4 | -97.5 | 150.8 | 0 | 0 | 0 | 110.6 | F5 | L3-F5 HydrophobicContact CD2-CD2 4.37Å; L3-F5 HydrophobicContact CD2-CE2 3.91Å | |||
| 4 | R | 33.6 | Very low | 34.5 | Very low | 245 Ų | 245 | 163.2 Ų | 163.2 | 93% | 0.925 | 85% | 0.849 | S | S | * | * | trans | -63 | 134.1 | 154 | -111.7 | 175.8 | 175.5 | -175.7 | -1.3 | 107.2 | ||||
| 5 | F | 27.6 | Very low | 35.1 | Very low | 188 Ų | 188 | 163.6 Ų | 163.6 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -115 | 119.1 | 156.5 | -101.2 | -81.6 | 0 | 0 | 0 | 110.7 | L3 | L3-F5 HydrophobicContact CD2-CD2 4.37Å; L3-F5 HydrophobicContact CD2-CE2 3.91Å | ||
| 6 | S | 29.1 | Very low | 35.8 | Very low | 97 Ų | 97 | 158.2 Ų | 158.2 | 68% | 0.678 | 83% | 0.829 | S | S | * | * | trans | -66.1 | 139 | 176.7 | 166.6 | 0 | 0 | 0 | 0 | 111.1 | C8 | S6-C8 PolarHBondContact O-N 3.04Š| ||
| 7 | M | 32 | Very low | 36.3 | Very low | 194 Ų | 194 | 157.4 Ų | 157.4 | 96% | 0.956 | 82% | 0.822 | S | S | * | * | trans | -79.7 | 106.5 | 172.4 | -151.8 | 164.4 | 172.4 | 0 | 0 | 107.9 | ||||
| 8 | C | 27.7 | Very low | 36.9 | Very low | 120 Ų | 120 | 156.4 Ų | 156.4 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -103.7 | 120.9 | 167.5 | -84.2 | 0 | 0 | 0 | 0 | 109.3 | S6 | S6-C8 PolarHBondContact O-N 3.04Š| ||
| 9 | R | 39.6 | Very low | 37.5 | Very low | 249 Ų | 249 | 155.3 Ų | 155.3 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | trans | -75 | 115.6 | 175.4 | -168.4 | 172.4 | -174.6 | 160.2 | -0.3 | 108.3 | ||||
| 10 | G | 29.2 | Very low | 38.3 | Very low | 72 Ų | 72 | 153.3 Ų | 153.3 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -135.1 | 118.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 11 | N | 39.6 | Very low | 38.9 | Very low | 140 Ų | 140 | 154.7 Ų | 154.7 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -66.1 | 159.7 | 175.3 | -101.3 | 10.3 | 0 | 0 | 0 | 111.3 | ||||
| 12 | D | 40.8 | Very low | 39.6 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | 72.1 | 93.3 | 159.7 | -57.5 | -29.4 | 0 | 0 | 0 | 117 | ||||
| 13 | E | 39.3 | Very low | 40.6 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | 179.3 | 81.5 | 113.5 | -85.5 | -149.9 | 160.8 | 0 | 0 | 108.2 | |||||
| 14 | G | 49.8 | Very low | 41.9 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | trans | -80.5 | 119.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 15 | F | 44.1 | Very low | 42.8 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 173 | -20.4 | 134.2 | -116.2 | -101.2 | 0 | 0 | 0 | 112.5 | ||
| 16 | A | 45.8 | Very low | 43.9 | Very low | 77 Ų | 77 | 135 Ų | 135 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -84.6 | -26.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 17 | M | 43.9 | Very low | 44.9 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -82.4 | -19.8 | -175.7 | -126.1 | -164.2 | -59.6 | 0 | 0 | 114 | R21 | M17-R21 PolarHBondContact O-N 3.13Å |
| 18 | E | 47.1 | Very low | 45.9 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 65% | 0.654 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -77.4 | -36.2 | 176.8 | -98.8 | -169.4 | 145.7 | 0 | 0 | 112.4 | R21 L22 | E18-R21 PolarHBondContact O-N 2.87Å; E18-L22 PolarHBondContact O-N 3.23Å |
| 19 | Q | 48.3 | Very low | 47 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 63% | 0.631 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -70.6 | -32.9 | 179 | -69.7 | -147.2 | -14.1 | 0 | 0 | 113 | L22 L23 | Q19-L22 PolarHBondContact O-N 2.92Å; Q19-L23 PolarHBondContact O-N 2.54Å |
| 20 | I | 53.8 | Low | 47.5 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 60% | 0.595 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -70.5 | -37.2 | 175.2 | -64.9 | 170.9 | 0 | 0 | 0 | 110.7 | L24 | I20-L24 PolarHBondContact O-N 2.6Å; I20-L24 VanDerWaalsContact O-N 3.09Å |
| 21 | R | 50.5 | Low | 48.3 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -68.3 | -36.6 | 172.9 | -77.5 | -170.3 | 173.9 | -163.8 | -0.3 | 112.5 | M17 E18 L24 L25 | M17-R21 PolarHBondContact O-N 3.13Å; E18-R21 PolarHBondContact O-N 2.87Å; R21-L24 PolarHBondContact O-N 3.19Å; R21-L25 WeakPolarHBondContact O-CB 3.3Å; R21-L25 WeakPolarHBondContact O-CD1 3.15Å; R21-L25 WeakPolarHBondContact O-CG 3.37Å; R21-L25 PolarHBondContact O-N 3.18Å |
| 22 | L | 52.3 | Low | 48.7 | Very low | 105 Ų | 105 | 132 Ų | 132 | 55% | 0.55 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -68.2 | -40.7 | 175.8 | -123.5 | 87.2 | 0 | 0 | 0 | 112.1 | E18 Q19 L25 L26 | E18-L22 PolarHBondContact O-N 3.23Å; Q19-L22 PolarHBondContact O-N 2.92Å; L22-L25 PolarHBondContact O-N 3.28Å; L22-L26 WeakPolarHBondContact O-CB 3.09Å; L22-L26 WeakPolarHBondContact O-CD1 3.38Å; L22-L26 PolarHBondContact O-N 3.27Å |
| 23 | L | 52.8 | Low | 49.1 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 63% | 0.634 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -64.3 | -40 | 175.2 | -111.4 | 91.4 | 0 | 0 | 0 | 111.8 | Q19 L25 L26 T27 | Q19-L23 PolarHBondContact O-N 2.54Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 3.28Å; L23-L26 PolarHBondContact O-N 3.4Å; L23-T27 PolarHBondContact O-N 3.4Å; L23-T27 VanDerWaalsContact O-N 3.16Å; L23-T27 PolarHBondContact O-OG1 3.02Å |
| 24 | L | 52.4 | Low | 49.5 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 63% | 0.628 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.6 | -35 | 175.4 | -125.6 | 97.5 | 0 | 0 | 0 | 112.3 | I20 R21 T27 I28 | I20-L24 PolarHBondContact O-N 2.6Å; I20-L24 VanDerWaalsContact O-N 3.09Å; R21-L24 PolarHBondContact O-N 3.19Å; L24-T27 PolarHBondContact O-OG1 3.14Å; L24-I28 WeakPolarHBondContact O-CG1 3.43Å |
| 25 | L | 53.8 | Low | 49.8 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 62% | 0.618 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.8 | -30.9 | 176.2 | -77.2 | 163.1 | 0 | 0 | 0 | 112.8 | R21 L22 L23 I28 | R21-L25 WeakPolarHBondContact O-CB 3.3Å; R21-L25 WeakPolarHBondContact O-CD1 3.15Å; R21-L25 WeakPolarHBondContact O-CG 3.37Å; R21-L25 PolarHBondContact O-N 3.18Å; L22-L25 PolarHBondContact O-N 3.28Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 3.28Å; L25-I28 PolarHBondContact O-N 3.38Å |
| 26 | L | 50.2 | Low | 50.9 | Low | 129 Ų | 129 | 117.7 Ų | 117.7 | 68% | 0.675 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.3 | -23.6 | 175.4 | -86.9 | 153.1 | 0 | 0 | 0 | 113 | L22 L23 I28 | L22-L26 WeakPolarHBondContact O-CB 3.09Å; L22-L26 WeakPolarHBondContact O-CD1 3.38Å; L22-L26 PolarHBondContact O-N 3.27Å; L23-L26 PolarHBondContact O-N 3.4Å; L26-I28 VanDerWaalsContact C-N 3.31Å; L26-I28 PolarHBondContact O-N 2.87Å |
| 27 | T | 49.4 | Very low | 52.5 | Low | 111 Ų | 111 | 114.2 Ų | 114.2 | 68% | 0.681 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -3.1 | 173.8 | 47.5 | 0 | 0 | 0 | 0 | 115 | L23 L24 | L23-T27 PolarHBondContact O-N 3.4Å; L23-T27 VanDerWaalsContact O-N 3.16Å; L23-T27 PolarHBondContact O-OG1 3.02Å; L24-T27 PolarHBondContact O-OG1 3.14Å |
| 28 | I | 52.6 | Low | 53.9 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 62% | 0.621 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 0.5 | -176.7 | -67.3 | 170.8 | 0 | 0 | 0 | 113.3 | L24 L25 L26 | L24-I28 WeakPolarHBondContact O-CG1 3.43Å; L25-I28 PolarHBondContact O-N 3.38Å; L26-I28 VanDerWaalsContact C-N 3.31Å; L26-I28 PolarHBondContact O-N 2.87Å |
| 29 | R | 52.3 | Low | 55.3 | Low | 228 Ų | 228 | 109.9 Ų | 109.9 | 86% | 0.86 | 60% | 0.597 | S | S | * | * | trans | -108.4 | 82 | 175 | -71.6 | -101.7 | -170.3 | -165.6 | 0.9 | 110.5 | ||||
| 30 | V | 50.4 | Low | 57.2 | Low | 128 Ų | 128 | 106.3 Ų | 106.3 | 78% | 0.776 | 58% | 0.578 | S | S | * | * | -176 | 80.4 | 124.5 | -177.9 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 31 | L | 46.2 | Very low | 58.9 | Low | 140 Ų | 140 | 104 Ų | 104 | 73% | 0.733 | 57% | 0.566 | S | S | * | * | trans | -78.6 | 128.7 | 145.8 | -114.6 | 70.8 | 0 | 0 | 0 | 105.3 | A35 | L31-A35 HydrophobicContact CD2-CB 3.77Š| ||
| 32 | P | 47.6 | Very low | 60.7 | Low | 83 Ų | 83 | 96.1 Ų | 96.1 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | trans | -56.6 | 149.9 | 169.5 | -5 | 17.4 | 0 | 0 | 0 | 107.5 | S34 | P32-S34 PolarHBondContact O-N 2.85Å; P32-S34 PolarHBondContact O-OG 3.15Å | ||
| 33 | G | 47.7 | Very low | 62.4 | Low | 56 Ų | 56 | 93.6 Ų | 93.6 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -58.7 | 14.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 34 | S | 48.3 | Very low | 64 | Low | 72 Ų | 72 | 89.1 Ų | 89.1 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -76.2 | -14.4 | 175.1 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | P32 | P32-S34 PolarHBondContact O-N 2.85Å; P32-S34 PolarHBondContact O-OG 3.15Å |
| 35 | A | 56.1 | Low | 65.5 | Low | 60 Ų | 60 | 90.8 Ų | 90.8 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -80.7 | -17.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L31 | L31-A35 HydrophobicContact CD2-CB 3.77Š|
| 36 | Q | 67 | Low | 66.8 | Low | 85 Ų | 85 | 90.1 Ų | 90.1 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -31 | -177.7 | -168.5 | -177.4 | 36 | 0 | 0 | 112.9 | A44 S48 | Q36-A44 VanDerWaalsContact OE1-CB 3.24Å; Q36-S48 PolarHBondContact NE2-OG 2.83Å; Q36-S48 PolarHBondContact OE1-OG 2.93Å |
| 37 | F | 79.3 | Confident | 68.6 | Low | 3 Ų | 3 | 84.7 Ų | 84.7 | 1% | 0.013 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 29.7 | -175.7 | -57.9 | -73.7 | 0 | 0 | 0 | 112.7 | G39 Y40 C42 A44 H47 C72 L75 F76 | F37-G39 PolarHBondContact O-N 2.93Å; F37-Y40 WeakPolarHBondContact O-CB 3.34Å; F37-Y40 WeakPolarHBondContact O-CD2 3.33Å; F37-Y40 PolarHBondContact O-N 3.06Å; F37-C42 HydrophobicContact CB-CB 3.69Å; F37-C42 HydrophobicContact CD1-CB 3.96Å; F37-C42 HydrophobicContact CD2-CB 3.45Å; F37-C42 VanDerWaalsContact CD2-CB 3.45Å; F37-C42 HydrophobicContact CE1-CB 4.5Å; F37-C42 HydrophobicContact CE2-CB 4.04Å; F37-C42 HydrophobicContact CG-CB 3.4Å; F37-C42 VanDerWaalsContact CG-CB 3.4Å; F37-A44 HydrophobicContact CE2-CB 4.13Å; F37-H47 HydrophobicContact CZ-CB 4.09Å; F37-C72 HydrophobicContact CD1-CB 4.47Å; F37-C72 HydrophobicContact CE1-CB 4.34Å; F37-C72 WeakPolarHBondContact CE1-O 3.26Å; F37-L75 HydrophobicContact CB-CD1 4.12Å; F37-L75 HydrophobicContact CD1-CB 3.82Å; F37-L75 HydrophobicContact CD1-CD1 4Å; F37-L75 HydrophobicContact CE1-CB 4.36Å; F37-F76 HydrophobicContact CE1-CB 4.22Å |
| 38 | N | 72.9 | Confident | 70.4 | Confident | 137 Ų | 137 | 81.5 Ų | 81.5 | 73% | 0.733 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 35.6 | 170.3 | -71.7 | -12.6 | 0 | 0 | 0 | 115.9 | Y40 | N38-Y40 HydrophobicContact CB-CD2 4.46Å; N38-Y40 HydrophobicContact CB-CE2 4.49Å |
| 39 | G | 77.9 | Confident | 71.9 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 58% | 0.577 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 8.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | F37 | F37-G39 PolarHBondContact O-N 2.93Š|
| 40 | Y | 87.1 | Confident | 73.3 | Confident | 60 Ų | 60 | 73.7 Ų | 73.7 | 24% | 0.235 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -76.2 | 152 | 169.9 | -67.6 | -75 | 0 | 0 | 0 | 111.7 | F37 N38 C42 F71 L75 I99 N101 A106 | F37-Y40 WeakPolarHBondContact O-CB 3.34Å; F37-Y40 WeakPolarHBondContact O-CD2 3.33Å; F37-Y40 PolarHBondContact O-N 3.06Å; N38-Y40 HydrophobicContact CB-CD2 4.46Å; N38-Y40 HydrophobicContact CB-CE2 4.49Å; Y40-C42 PolarHBondContact O-N 3.1Å; Y40-F71 HydrophobicContact CD1-CD1 4.17Å; Y40-F71 HydrophobicContact CD1-CE1 4.14Å; Y40-F71 HydrophobicContact CD2-CD1 4.42Å; Y40-F71 AromaticContact CD2-CE1 3.9Å; Y40-F71 HydrophobicContact CD2-CE1 3.9Å; Y40-F71 HydrophobicContact CE1-CD1 4.31Å; Y40-F71 AromaticContact CE1-CE1 3.93Å; Y40-F71 HydrophobicContact CE1-CE1 3.93Å; Y40-F71 AromaticContact CE2-CE1 3.69Å; Y40-F71 HydrophobicContact CE2-CE1 3.69Å; Y40-F71 HydrophobicContact CG-CD1 4.24Å; Y40-F71 HydrophobicContact CG-CE1 4.14Å; Y40-F71 AromaticContact CZ-CE1 3.7Å; Y40-L75 HydrophobicContact CD2-CD1 3.5Å; Y40-L75 HydrophobicContact CD2-CD2 4.44Å; Y40-L75 HydrophobicContact CE2-CD1 4.25Å; Y40-L75 HydrophobicContact CE2-CD2 4.45Å; Y40-L75 HydrophobicContact CG-CD1 4Å; Y40-I99 HydrophobicContact CD1-CG2 4.24Å; Y40-I99 HydrophobicContact CE1-CD1 4.22Å; Y40-I99 HydrophobicContact CE1-CG2 3.85Å; Y40-N101 VanDerWaalsContact CA-OD1 3.32Å; Y40-N101 WeakPolarHBondContact CA-OD1 3.47Å; Y40-N101 HydrophobicContact CD1-CB 4.29Å; Y40-A106 HydrophobicContact CD1-CB 4.46Å |
| 41 | N | 89.6 | Confident | 75 | Confident | 67 Ų | 67 | 69.2 Ų | 69.2 | 36% | 0.358 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -74 | 69.4 | -178.5 | -163.8 | 12.3 | 0 | 0 | 0 | 111 | N101 T103 F104 P105 A106 | N41-N101 WeakPolarHBondContact CB-O 3.5Å; N41-N101 PolarHBondContact N-OD1 2.99Å; N41-T103 WeakPolarHBondContact CB-O 3.47Å; N41-T103 PolarHBondContact ND2-O 2.83Å; N41-T103 VanDerWaalsContact ND2-O 3.07Å; N41-F104 VanDerWaalsContact OD1-CD2 3.32Å; N41-F104 WeakPolarHBondContact OD1-CD2 3.45Å; N41-P105 WeakPolarHBondContact O-CA 3.19Å; N41-A106 PolarHBondContact O-N 3.05Å; N41-A106 VanDerWaalsContact O-N 3.16Å |
| 42 | C | 89.4 | Confident | 76.4 | Confident | 18 Ų | 18 | 64.6 Ų | 64.6 | 12% | 0.122 | 39% | 0.389 | C | S | . | . | trans | -128.8 | 131.2 | -172.6 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | F37 Y40 C72 | F37-C42 HydrophobicContact CB-CB 3.69Å; F37-C42 HydrophobicContact CD1-CB 3.96Å; F37-C42 HydrophobicContact CD2-CB 3.45Å; F37-C42 VanDerWaalsContact CD2-CB 3.45Å; F37-C42 HydrophobicContact CE1-CB 4.5Å; F37-C42 HydrophobicContact CE2-CB 4.04Å; F37-C42 HydrophobicContact CG-CB 3.4Å; F37-C42 VanDerWaalsContact CG-CB 3.4Å; Y40-C42 PolarHBondContact O-N 3.1Å; C42-C72 VanDerWaalsContact CA-SG 3.51Å; C42-C72 HydrophobicContact CB-CB 3.71Å; C42-C72 WeakPolarHBondContact CB-SG 3.44Å; C42-C72 VanDerWaalsContact SG-CA 3.57Å; C42-C72 WeakPolarHBondContact SG-CB 3.48Å; C42-C72 CovalentContact SG-SG 2.02Å; C42-C72 PolarHBondContact SG-SG 3.22Å | ||
| 43 | D | 87.9 | Confident | 77.6 | Confident | 52 Ų | 52 | 69.3 Ų | 69.3 | 28% | 0.278 | 40% | 0.404 | S | S | . | . | trans | -93 | 122.2 | 170.7 | -176.2 | -23.3 | 0 | 0 | 0 | 111.1 | N45 L46 H47 F104 | D43-N45 VanDerWaalsContact C-N 3.27Å; D43-N45 PolarHBondContact O-N 3.02Å; D43-N45 WeakPolarHBondContact OD1-CB 3.5Å; D43-N45 PolarHBondContact OD1-N 3.08Å; D43-N45 PolarHBondContact OD1-ND2 3.19Å; D43-L46 HydrophobicContact CB-CB 4.34Å; D43-L46 HydrophobicContact CB-CD1 4.14Å; D43-L46 PolarHBondContact O-N 2.86Å; D43-H47 PolarHBondContact N-ND1 3Å; D43-H47 WeakPolarHBondContact O-CB 3.35Å; D43-H47 PolarHBondContact O-N 2.82Å; D43-H47 PolarHBondContact O-ND1 2.85Å; D43-F104 HydrophobicContact CB-CE2 3.93Å; D43-F104 HydrophobicContact CB-CZ 3.68Å | ||
| 44 | A | 85.1 | Confident | 79.2 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 23% | 0.231 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.3 | -30.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q36 F37 L46 S48 | Q36-A44 VanDerWaalsContact OE1-CB 3.24Å; F37-A44 HydrophobicContact CE2-CB 4.13Å; A44-L46 VanDerWaalsContact C-N 3.33Å; A44-S48 WeakPolarHBondContact O-CB 3.4Å; A44-S48 PolarHBondContact O-N 2.82Å; A44-S48 PolarHBondContact O-OG 2.92Å |
| 45 | N | 84.1 | Confident | 80.9 | Confident | 155 Ų | 155 | 72.7 Ų | 72.7 | 83% | 0.829 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -73.2 | -29.3 | 178.9 | -61.9 | -48.8 | 0 | 0 | 0 | 112.2 | D43 | D43-N45 VanDerWaalsContact C-N 3.27Å; D43-N45 PolarHBondContact O-N 3.02Å; D43-N45 WeakPolarHBondContact OD1-CB 3.5Å; D43-N45 PolarHBondContact OD1-N 3.08Å; D43-N45 PolarHBondContact OD1-ND2 3.19Å |
| 46 | L | 81.3 | Confident | 82.2 | Confident | 104 Ų | 104 | 71.5 Ų | 71.5 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -99.1 | -30.7 | -175.1 | -76.8 | 154.3 | 0 | 0 | 0 | 113.1 | D43 A44 | D43-L46 HydrophobicContact CB-CB 4.34Å; D43-L46 HydrophobicContact CB-CD1 4.14Å; D43-L46 PolarHBondContact O-N 2.86Å; A44-L46 VanDerWaalsContact C-N 3.33Å |
| 47 | H | 87.9 | Confident | 83.1 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 7% | 0.065 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -114.1 | -0.6 | -167.8 | -52.1 | 103.6 | 0 | 0 | 0 | 114.7 | F37 D43 R49 C72 P105 | F37-H47 HydrophobicContact CZ-CB 4.09Å; D43-H47 PolarHBondContact N-ND1 3Å; D43-H47 WeakPolarHBondContact O-CB 3.35Å; D43-H47 PolarHBondContact O-N 2.82Å; D43-H47 PolarHBondContact O-ND1 2.85Å; H47-R49 PolarHBondContact O-N 2.84Å; H47-C72 HydrophobicContact CB-CB 3.49Å; H47-C72 VanDerWaalsContact CB-CB 3.49Å; H47-P105 WeakPolarHBondContact NE2-CB 3.43Å |
| 48 | S | 86.6 | Confident | 83.3 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 32% | 0.315 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -74.4 | 59.1 | 171 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | Q36 A44 | Q36-S48 PolarHBondContact NE2-OG 2.83Å; Q36-S48 PolarHBondContact OE1-OG 2.93Å; A44-S48 WeakPolarHBondContact O-CB 3.4Å; A44-S48 PolarHBondContact O-N 2.82Å; A44-S48 PolarHBondContact O-OG 2.92Å |
| 49 | R | 85.8 | Confident | 83.8 | Confident | 58 Ų | 58 | 71.2 Ų | 71.2 | 22% | 0.219 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -151 | 159.8 | -180 | 65.3 | 171.5 | -174.8 | 82.5 | 7.4 | 111.3 | H47 R54 D55 T73 F76 | H47-R49 PolarHBondContact O-N 2.84Å; R49-R54 VanDerWaalsContact CZ-NH2 3.26Å; R49-D55 IonicContact CZ-OD1 2.77Å; R49-D55 IonicContact CZ-OD2 3.15Å; R49-D55 IonicContact NH1-OD2 2.72Å; R49-D55 PolarHBondContact NH1-OD2 2.81Å; R49-D55 IonicContact NH2-OD1 3.86Å; R49-D55 PolarHBondContact NH2-OD1 2.94Å; R49-D55 IonicContact NH2-OD2 2.79Å; R49-D55 PolarHBondContact NH2-OD2 2.81Å; R49-T73 HydrophobicContact CG-CG2 4.24Å; R49-F76 WeakPolarHBondContact O-CD1 3.18Å |
| 50 | F | 81.3 | Confident | 83.8 | Confident | 126 Ų | 126 | 71.7 Ų | 71.7 | 55% | 0.553 | 37% | 0.365 | S | S | * | . | trans | -66 | 151.4 | 172 | -63.7 | -62.2 | 0 | 0 | 0 | 112.1 | F76 P163 | F50-F76 HydrophobicContact CD1-CD1 4.35Å; F50-F76 HydrophobicContact CD1-CE1 4.41Å; F50-F76 HydrophobicContact CE1-CD1 4.38Å; F50-F76 HydrophobicContact CE1-CE1 4.2Å; F50-F76 HydrophobicContact CZ-CE1 4.29Å; F50-P163 HydrophobicContact CD1-CG 4.11Å; F50-P163 HydrophobicContact CE1-CG 3.69Å | ||
| 51 | P | 84.9 | Confident | 82.7 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 22% | 0.221 | 37% | 0.367 | C | S | . | . | trans | -57.6 | 143.4 | 175.5 | -23.9 | 33.3 | 0 | 0 | 0 | 112.7 | S77 L165 Y167 | P51-S77 WeakPolarHBondContact CD-OG 3.04Å; P51-L165 HydrophobicContact CG-CD1 4.37Å; P51-L165 HydrophobicContact CG-CD2 3.96Å; P51-Y167 HydrophobicContact CB-CE1 4.12Å; P51-Y167 VanDerWaalsContact CB-OH 3.23Å; P51-Y167 WeakPolarHBondContact CB-OH 3.44Å; P51-Y167 WeakPolarHBondContact CG-OH 3.3Å | ||
| 52 | A | 77.2 | Confident | 81.5 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 36% | 0.355 | 38% | 0.379 | S | S | . | . | trans | -128.7 | 174.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R54 D55 | A52-R54 HydrophobicContact CB-CG 4.35Å; A52-R54 PolarHBondContact O-N 2.84Å; A52-R54 VanDerWaalsContact O-N 3.07Å; A52-D55 PolarHBondContact N-OD2 3.3Å; A52-D55 VanDerWaalsContact O-CB 3.31Å; A52-D55 WeakPolarHBondContact O-CB 3.36Å; A52-D55 PolarHBondContact O-N 2.86Å | ||
| 53 | E | 72.9 | Confident | 80.4 | Confident | 183 Ų | 183 | 76.3 Ų | 76.3 | 86% | 0.855 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -55.5 | -31.2 | -177.9 | -66.3 | 179.7 | 178.2 | 0 | 0 | 113.8 | D55 I56 | E53-D55 PolarHBondContact O-N 2.71Å; E53-I56 WeakPolarHBondContact O-CG2 3.46Å; E53-I56 PolarHBondContact O-N 3.3Å |
| 54 | R | 80.1 | Confident | 80 | Confident | 189 Ų | 189 | 74.8 Ų | 74.8 | 71% | 0.713 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -69.6 | -14 | 175.9 | 66.7 | -178.6 | 174 | -145.1 | -0.9 | 114.8 | R49 A52 I56 | R49-R54 VanDerWaalsContact CZ-NH2 3.26Å; A52-R54 HydrophobicContact CB-CG 4.35Å; A52-R54 PolarHBondContact O-N 2.84Å; A52-R54 VanDerWaalsContact O-N 3.07Å; R54-I56 VanDerWaalsContact C-N 3.29Å |
| 55 | D | 83.7 | Confident | 79.8 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 5% | 0.048 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -89.3 | 2.4 | -177.5 | -64.5 | -55.5 | 0 | 0 | 0 | 112.6 | R49 A52 E53 I69 N70 | R49-D55 IonicContact CZ-OD1 2.77Å; R49-D55 IonicContact CZ-OD2 3.15Å; R49-D55 IonicContact NH1-OD2 2.72Å; R49-D55 PolarHBondContact NH1-OD2 2.81Å; R49-D55 IonicContact NH2-OD1 3.86Å; R49-D55 PolarHBondContact NH2-OD1 2.94Å; R49-D55 IonicContact NH2-OD2 2.79Å; R49-D55 PolarHBondContact NH2-OD2 2.81Å; A52-D55 PolarHBondContact N-OD2 3.3Å; A52-D55 VanDerWaalsContact O-CB 3.31Å; A52-D55 WeakPolarHBondContact O-CB 3.36Å; A52-D55 PolarHBondContact O-N 2.86Å; E53-D55 PolarHBondContact O-N 2.71Å; D55-I69 CarbonylContact O-C 3.6Å; D55-I69 WeakPolarHBondContact O-CA 3.3Å; D55-N70 HydrophobicContact CB-CB 3.84Å; D55-N70 PolarHBondContact O-N 3.1Å; D55-N70 PolarHBondContact OD1-ND2 2.88Å |
| 56 | I | 85.1 | Confident | 79.9 | Confident | 36 Ų | 36 | 67.9 Ų | 67.9 | 19% | 0.185 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.4 | 168.9 | -176 | 178.5 | 0 | 0 | 0 | 109.7 | E53 R54 V58 K68 I69 Y167 | E53-I56 WeakPolarHBondContact O-CG2 3.46Å; E53-I56 PolarHBondContact O-N 3.3Å; R54-I56 VanDerWaalsContact C-N 3.29Å; I56-V58 HydrophobicContact CD1-CG2 4.12Å; I56-V58 HydrophobicContact CG1-CG2 4.16Å; I56-K68 CarbonylContact C-O 3.58Å; I56-K68 WeakPolarHBondContact CA-O 3.15Å; I56-I69 HydrophobicContact CB-CG1 4.32Å; I56-I69 HydrophobicContact CD1-CG1 4.49Å; I56-I69 HydrophobicContact CG1-CG1 4.04Å; I56-Y167 HydrophobicContact CB-CD1 4.09Å; I56-Y167 HydrophobicContact CD1-CD1 4.19Å; I56-Y167 HydrophobicContact CD1-CG 4.45Å; I56-Y167 HydrophobicContact CG2-CD1 4.42Å |
| 57 | S | 84.8 | Confident | 80.3 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.8 | 170 | 55.5 | 0 | 0 | 0 | 0 | 109.2 | M67 K68 | S57-M67 CarbonylContact O-C 3.51Å; S57-M67 VanDerWaalsContact O-CA 3.27Å; S57-M67 WeakPolarHBondContact O-CA 3.4Å; S57-K68 PolarHBondContact N-O 3.27Å; S57-K68 PolarHBondContact O-N 3.28Å; S57-K68 WeakPolarHBondContact OG-CB 3.5Å; S57-K68 PolarHBondContact OG-O 2.9Å |
| 58 | V | 84.4 | Confident | 80.5 | Confident | 53 Ų | 53 | 66.1 Ų | 66.1 | 32% | 0.321 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.9 | -177 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | I56 I65 M67 F169 | I56-V58 HydrophobicContact CD1-CG2 4.12Å; I56-V58 HydrophobicContact CG1-CG2 4.16Å; V58-I65 HydrophobicContact CG1-CG2 4.22Å; V58-M67 HydrophobicContact CG1-CG 4.13Å; V58-M67 HydrophobicContact CG2-CG 4.21Å; V58-F169 HydrophobicContact CG1-CB 4.15Å; V58-F169 HydrophobicContact CG2-CB 3.87Å |
| 59 | Y | 82.6 | Confident | 80.7 | Confident | 128 Ų | 128 | 64 Ų | 64 | 50% | 0.502 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 105.5 | 177.7 | -59.1 | -82.5 | 0 | 0 | 0 | 108.7 | G61 I65 T66 K68 | Y59-G61 PolarHBondContact O-N 3.01Å; Y59-I65 WeakPolarHBondContact O-CA 3.36Å; Y59-T66 WeakPolarHBondContact CB-O 3.33Å; Y59-T66 PolarHBondContact N-O 3.47Å; Y59-T66 PolarHBondContact O-N 2.84Å; Y59-K68 HydrophobicContact CE2-CD 4.13Å; Y59-K68 HydrophobicContact CE2-CG 4.25Å |
| 60 | C | 78.4 | Confident | 81 | Confident | 66 Ų | 66 | 62 Ų | 62 | 45% | 0.446 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 95.7 | 178.1 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | C171 Y173 | C60-C171 HydrophobicContact CB-CB 3.75Å; C60-C171 WeakPolarHBondContact CB-SG 3.36Å; C60-C171 VanDerWaalsContact SG-CA 3.56Å; C60-C171 WeakPolarHBondContact SG-CB 3.19Å; C60-C171 CovalentContact SG-SG 2.03Å; C60-C171 PolarHBondContact SG-SG 2.75Å; C60-Y173 WeakPolarHBondContact CA-OH 3.39Å; C60-Y173 HydrophobicContact CB-CE1 4.44Å; C60-Y173 WeakPolarHBondContact CB-OH 3.35Å |
| 61 | G | 63.6 | Low | 81.6 | Confident | 28 Ų | 28 | 56 Ų | 56 | 29% | 0.289 | 29% | 0.294 | S | S | . | . | trans | -91.8 | 162.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y59 Q63 A64 Y173 | Y59-G61 PolarHBondContact O-N 3.01Å; G61-Q63 VanDerWaalsContact C-N 3.29Å; G61-Q63 PolarHBondContact O-N 2.83Å; G61-A64 CarbonylContact C-O 3.54Å; G61-A64 WeakPolarHBondContact CA-O 3.16Å; G61-A64 PolarHBondContact N-O 3.44Å; G61-Y173 PolarHBondContact O-OH 2.85Å | ||
| 62 | V | 64.7 | Low | 81.8 | Confident | 100 Ų | 100 | 54.4 Ų | 54.4 | 61% | 0.606 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -71.1 | -21.4 | -179.7 | -65.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 63 | Q | 66.1 | Low | 82.4 | Confident | 114 Ų | 114 | 52.4 Ų | 52.4 | 53% | 0.533 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -111.2 | -29.9 | 178.6 | -73.2 | 176.6 | -13.5 | 0 | 0 | 112.8 | G61 L114 | G61-Q63 VanDerWaalsContact C-N 3.29Å; G61-Q63 PolarHBondContact O-N 2.83Å; Q63-L114 PolarHBondContact O-N 2.94Å |
| 64 | A | 79.7 | Confident | 83.2 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 148 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G61 I111 I112 N113 | G61-A64 CarbonylContact C-O 3.54Å; G61-A64 WeakPolarHBondContact CA-O 3.16Å; G61-A64 PolarHBondContact N-O 3.44Å; A64-I111 HydrophobicContact CB-CG2 3.89Å; A64-I112 CarbonylContact C-O 3.51Å; A64-I112 WeakPolarHBondContact CA-O 3.33Å; A64-I112 WeakPolarHBondContact CB-O 3.26Å; A64-N113 WeakPolarHBondContact CB-OD1 3.48Å |
| 65 | I | 80.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.3 | 169.9 | -60.5 | 162.2 | 0 | 0 | 0 | 107.4 | V58 Y59 M67 I111 I112 L114 I146 F169 C171 Y173 | V58-I65 HydrophobicContact CG1-CG2 4.22Å; Y59-I65 WeakPolarHBondContact O-CA 3.36Å; I65-M67 HydrophobicContact CG2-CE 4.32Å; I65-M67 HydrophobicContact CG2-CG 4.4Å; I65-I111 WeakPolarHBondContact O-CA 2.99Å; I65-I112 HydrophobicContact CB-CB 4.31Å; I65-I112 PolarHBondContact N-O 2.96Å; I65-I112 PolarHBondContact O-N 3.11Å; I65-L114 HydrophobicContact CD1-CD1 4.07Å; I65-L114 HydrophobicContact CG1-CD1 3.97Å; I65-I146 HydrophobicContact CD1-CB 4.13Å; I65-I146 HydrophobicContact CD1-CD1 4.32Å; I65-I146 HydrophobicContact CD1-CG2 3.66Å; I65-F169 HydrophobicContact CG2-CD2 4.47Å; I65-C171 HydrophobicContact CD1-CB 4.1Å; I65-C171 HydrophobicContact CG1-CB 4.41Å; I65-Y173 HydrophobicContact CD1-CE2 4.34Å; I65-Y173 WeakPolarHBondContact CG1-OH 3.26Å |
| 66 | T | 86.3 | Confident | 83.9 | Confident | 38 Ų | 38 | 38.9 Ų | 38.9 | 23% | 0.233 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.3 | 176.7 | -57 | 0 | 0 | 0 | 0 | 109.8 | Y59 I109 F110 I111 | Y59-T66 WeakPolarHBondContact CB-O 3.33Å; Y59-T66 PolarHBondContact N-O 3.47Å; Y59-T66 PolarHBondContact O-N 2.84Å; T66-I109 HydrophobicContact CG2-CG2 3.75Å; T66-F110 CarbonylContact C-O 3.53Å; T66-F110 WeakPolarHBondContact CA-O 3.05Å; T66-I111 HydrophobicContact CG2-CG1 4.34Å |
| 67 | M | 89.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.8 | 174.3 | -62.1 | 151.2 | -79.6 | 0 | 0 | 109.1 | S57 V58 I65 L86 I109 F110 I112 I150 F169 | S57-M67 CarbonylContact O-C 3.51Å; S57-M67 VanDerWaalsContact O-CA 3.27Å; S57-M67 WeakPolarHBondContact O-CA 3.4Å; V58-M67 HydrophobicContact CG1-CG 4.13Å; V58-M67 HydrophobicContact CG2-CG 4.21Å; I65-M67 HydrophobicContact CG2-CE 4.32Å; I65-M67 HydrophobicContact CG2-CG 4.4Å; M67-L86 HydrophobicContact CE-CD2 4.1Å; M67-I109 CarbonylContact O-C 3.53Å; M67-I109 VanDerWaalsContact O-CA 3.3Å; M67-I109 WeakPolarHBondContact O-CA 3.31Å; M67-F110 HydrophobicContact CB-CB 4.3Å; M67-F110 HydrophobicContact CE-CB 3.68Å; M67-F110 PolarHBondContact N-O 2.9Å; M67-F110 PolarHBondContact O-N 3.27Å; M67-I112 HydrophobicContact CE-CD1 3.45Å; M67-I112 VanDerWaalsContact CE-CD1 3.45Å; M67-I112 HydrophobicContact CE-CG1 3.83Å; M67-I150 HydrophobicContact CB-CD1 4.5Å; M67-I150 HydrophobicContact SD-CD1 3.82Å; M67-F169 HydrophobicContact CE-CE1 4.28Å; M67-F169 HydrophobicContact CE-CZ 4.35Å; M67-F169 HydrophobicContact SD-CB 4.12Å; M67-F169 HydrophobicContact SD-CD1 3.31Å; M67-F169 WeakPolarHBondContact SD-CD1 3.1Å; M67-F169 HydrophobicContact SD-CD2 4.01Å; M67-F169 HydrophobicContact SD-CE1 3.6Å; M67-F169 HydrophobicContact SD-CE2 4.27Å; M67-F169 HydrophobicContact SD-CG 3.53Å; M67-F169 VanDerWaalsContact SD-CG 3.53Å; M67-F169 HydrophobicContact SD-CZ 4.08Å |
| 68 | K | 91.5 | Very high | 84 | Confident | 82 Ų | 82 | 37.9 Ų | 37.9 | 36% | 0.357 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.2 | 172.1 | -47.7 | -177.4 | 176.8 | 175.2 | 0 | 109.1 | I56 S57 Y59 V108 I109 | I56-K68 CarbonylContact C-O 3.58Å; I56-K68 WeakPolarHBondContact CA-O 3.15Å; S57-K68 PolarHBondContact N-O 3.27Å; S57-K68 PolarHBondContact O-N 3.28Å; S57-K68 WeakPolarHBondContact OG-CB 3.5Å; S57-K68 PolarHBondContact OG-O 2.9Å; Y59-K68 HydrophobicContact CE2-CD 4.13Å; Y59-K68 HydrophobicContact CE2-CG 4.25Å; K68-V108 WeakPolarHBondContact CA-O 3.29Å; K68-I109 HydrophobicContact CG-CG1 4.2Å |
| 69 | I | 91.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.3 | 176.9 | -62.2 | 166.5 | 0 | 0 | 0 | 108.4 | D55 I56 F71 V74 V107 V108 F110 I150 Y167 | D55-I69 CarbonylContact O-C 3.6Å; D55-I69 WeakPolarHBondContact O-CA 3.3Å; I56-I69 HydrophobicContact CB-CG1 4.32Å; I56-I69 HydrophobicContact CD1-CG1 4.49Å; I56-I69 HydrophobicContact CG1-CG1 4.04Å; I69-F71 PolarHBondContact O-N 3.31Å; I69-F71 VanDerWaalsContact O-N 3.11Å; I69-V74 HydrophobicContact CG2-CG2 3.93Å; I69-V107 CarbonylContact O-C 3.52Å; I69-V107 VanDerWaalsContact O-CA 3.25Å; I69-V107 WeakPolarHBondContact O-CA 3.39Å; I69-V107 WeakPolarHBondContact O-CB 3.43Å; I69-V108 HydrophobicContact CB-CG1 3.63Å; I69-V108 HydrophobicContact CG2-CG1 4.14Å; I69-V108 PolarHBondContact N-O 2.52Å; I69-V108 PolarHBondContact O-N 3.09Å; I69-F110 HydrophobicContact CD1-CD2 4.4Å; I69-F110 HydrophobicContact CD1-CE2 4.19Å; I69-I150 HydrophobicContact CD1-CB 4.48Å; I69-I150 HydrophobicContact CD1-CD1 3.71Å; I69-I150 HydrophobicContact CD1-CG2 4.33Å; I69-Y167 HydrophobicContact CD1-CD1 4.19Å; I69-Y167 HydrophobicContact CD1-CD2 3.88Å; I69-Y167 HydrophobicContact CD1-CE2 4.22Å; I69-Y167 HydrophobicContact CD1-CG 3.85Å; I69-Y167 HydrophobicContact CG1-CD1 4.4Å; I69-Y167 HydrophobicContact CG2-CE1 3.89Å; I69-Y167 HydrophobicContact CG2-CE2 4.24Å |
| 70 | N | 91.7 | Very high | 84.4 | Confident | 16 Ų | 16 | 32.6 Ų | 32.6 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 109.3 | 172.9 | -173.5 | -13.5 | 0 | 0 | 0 | 109.5 | D55 C72 T73 P105 | D55-N70 HydrophobicContact CB-CB 3.84Å; D55-N70 PolarHBondContact O-N 3.1Å; D55-N70 PolarHBondContact OD1-ND2 2.88Å; N70-C72 VanDerWaalsContact C-N 3.29Å; N70-C72 PolarHBondContact O-N 3.35Å; N70-C72 WeakPolarHBondContact OD1-CB 3.06Å; N70-C72 PolarHBondContact OD1-N 2.64Å; N70-T73 PolarHBondContact O-OG1 2.92Å; N70-T73 VanDerWaalsContact O-OG1 3.06Å; N70-P105 WeakPolarHBondContact OD1-CB 3.29Å |
| 71 | F | 92.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.8 | -25.5 | -174.1 | -172.8 | -122.1 | 0 | 0 | 0 | 112 | Y40 I69 T73 V74 L75 E81 I99 A106 V108 | Y40-F71 HydrophobicContact CD1-CD1 4.17Å; Y40-F71 HydrophobicContact CD1-CE1 4.14Å; Y40-F71 HydrophobicContact CD2-CD1 4.42Å; Y40-F71 AromaticContact CD2-CE1 3.9Å; Y40-F71 HydrophobicContact CD2-CE1 3.9Å; Y40-F71 HydrophobicContact CE1-CD1 4.31Å; Y40-F71 AromaticContact CE1-CE1 3.93Å; Y40-F71 HydrophobicContact CE1-CE1 3.93Å; Y40-F71 AromaticContact CE2-CE1 3.69Å; Y40-F71 HydrophobicContact CE2-CE1 3.69Å; Y40-F71 HydrophobicContact CG-CD1 4.24Å; Y40-F71 HydrophobicContact CG-CE1 4.14Å; Y40-F71 AromaticContact CZ-CE1 3.7Å; I69-F71 PolarHBondContact O-N 3.31Å; I69-F71 VanDerWaalsContact O-N 3.11Å; F71-T73 VanDerWaalsContact C-N 3.32Å; F71-T73 PolarHBondContact O-N 2.85Å; F71-V74 HydrophobicContact CD2-CB 4.1Å; F71-V74 HydrophobicContact CD2-CG1 4.26Å; F71-V74 HydrophobicContact CE2-CB 4.46Å; F71-V74 HydrophobicContact CE2-CG1 4.19Å; F71-V74 WeakPolarHBondContact O-CB 3.4Å; F71-V74 PolarHBondContact O-N 3.1Å; F71-V74 VanDerWaalsContact O-N 3.16Å; F71-L75 HydrophobicContact CD1-CD1 3.71Å; F71-L75 HydrophobicContact CD1-CG 3.95Å; F71-L75 HydrophobicContact CE1-CD1 3.57Å; F71-L75 HydrophobicContact CE1-CD2 3.67Å; F71-L75 HydrophobicContact CE1-CG 3.59Å; F71-L75 HydrophobicContact CE2-CD2 4.4Å; F71-L75 HydrophobicContact CE2-CG 4.33Å; F71-L75 HydrophobicContact CG-CG 4.45Å; F71-L75 HydrophobicContact CZ-CD1 4.3Å; F71-L75 HydrophobicContact CZ-CD2 3.6Å; F71-L75 HydrophobicContact CZ-CG 3.8Å; F71-L75 WeakPolarHBondContact O-CG 3.34Å; F71-L75 PolarHBondContact O-N 3Å; F71-E81 HydrophobicContact CZ-CB 4.24Å; F71-I99 HydrophobicContact CD1-CD1 3.87Å; F71-I99 HydrophobicContact CD1-CG1 4.35Å; F71-I99 HydrophobicContact CD1-CG2 4.3Å; F71-I99 HydrophobicContact CD2-CD1 4.27Å; F71-I99 HydrophobicContact CE1-CD1 3.39Å; F71-I99 HydrophobicContact CE1-CG1 4.33Å; F71-I99 HydrophobicContact CE2-CD1 3.86Å; F71-I99 HydrophobicContact CG-CD1 4.29Å; F71-I99 HydrophobicContact CG-CG1 4.45Å; F71-I99 HydrophobicContact CZ-CD1 3.4Å; F71-I99 HydrophobicContact CZ-CG1 4.42Å; F71-A106 WeakPolarHBondContact CB-O 3.21Å; F71-A106 PolarHBondContact N-O 3.09Å; F71-V108 HydrophobicContact CB-CB 4.44Å; F71-V108 HydrophobicContact CD2-CB 4.17Å; F71-V108 HydrophobicContact CD2-CG1 4.3Å |
| 72 | C | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -37.1 | 179.7 | -53.7 | 0 | 0 | 0 | 0 | 112.4 | F37 C42 H47 N70 V74 L75 F76 P105 | F37-C72 HydrophobicContact CD1-CB 4.47Å; F37-C72 HydrophobicContact CE1-CB 4.34Å; F37-C72 WeakPolarHBondContact CE1-O 3.26Å; C42-C72 VanDerWaalsContact CA-SG 3.51Å; C42-C72 HydrophobicContact CB-CB 3.71Å; C42-C72 WeakPolarHBondContact CB-SG 3.44Å; C42-C72 VanDerWaalsContact SG-CA 3.57Å; C42-C72 WeakPolarHBondContact SG-CB 3.48Å; C42-C72 CovalentContact SG-SG 2.02Å; C42-C72 PolarHBondContact SG-SG 3.22Å; H47-C72 HydrophobicContact CB-CB 3.49Å; H47-C72 VanDerWaalsContact CB-CB 3.49Å; N70-C72 VanDerWaalsContact C-N 3.29Å; N70-C72 PolarHBondContact O-N 3.35Å; N70-C72 WeakPolarHBondContact OD1-CB 3.06Å; N70-C72 PolarHBondContact OD1-N 2.64Å; C72-V74 VanDerWaalsContact C-N 3.34Å; C72-L75 PolarHBondContact O-N 2.81Å; C72-F76 PolarHBondContact O-N 3.21Å; C72-P105 HydrophobicContact CB-CB 4.49Å; C72-P105 WeakPolarHBondContact SG-CB 3.46Å |
| 73 | T | 89.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -75.6 | -25.4 | 177.2 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | R49 N70 F71 S77 | R49-T73 HydrophobicContact CG-CG2 4.24Å; N70-T73 PolarHBondContact O-OG1 2.92Å; N70-T73 VanDerWaalsContact O-OG1 3.06Å; F71-T73 VanDerWaalsContact C-N 3.32Å; F71-T73 PolarHBondContact O-N 2.85Å; T73-S77 PolarHBondContact O-N 2.78Å; T73-S77 PolarHBondContact O-OG 2.85Å |
| 74 | V | 90.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.2 | -47.8 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | I69 F71 C72 F76 S77 G78 Y79 L84 L165 | I69-V74 HydrophobicContact CG2-CG2 3.93Å; F71-V74 HydrophobicContact CD2-CB 4.1Å; F71-V74 HydrophobicContact CD2-CG1 4.26Å; F71-V74 HydrophobicContact CE2-CB 4.46Å; F71-V74 HydrophobicContact CE2-CG1 4.19Å; F71-V74 WeakPolarHBondContact O-CB 3.4Å; F71-V74 PolarHBondContact O-N 3.1Å; F71-V74 VanDerWaalsContact O-N 3.16Å; C72-V74 VanDerWaalsContact C-N 3.34Å; V74-F76 VanDerWaalsContact C-N 3.34Å; V74-F76 PolarHBondContact O-N 2.87Å; V74-S77 WeakPolarHBondContact O-CA 3.21Å; V74-S77 WeakPolarHBondContact O-CB 3.21Å; V74-S77 PolarHBondContact O-N 3.37Å; V74-G78 PolarHBondContact O-N 2.98Å; V74-Y79 PolarHBondContact O-N 2.72Å; V74-L84 HydrophobicContact CB-CD1 4.4Å; V74-L84 HydrophobicContact CG1-CD1 3.7Å; V74-L84 HydrophobicContact CG1-CG 4.22Å; V74-L84 HydrophobicContact CG2-CD1 3.87Å; V74-L165 HydrophobicContact CB-CD1 4.41Å; V74-L165 HydrophobicContact CG1-CD1 4.15Å; V74-L165 HydrophobicContact CG2-CD1 4.27Å |
| 75 | L | 90.1 | Very high | 88.3 | Confident | 27 Ų | 27 | 26.4 Ų | 26.4 | 14% | 0.141 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 174.8 | -72.4 | 171.6 | 0 | 0 | 0 | 111.9 | F37 Y40 F71 C72 S77 G78 | F37-L75 HydrophobicContact CB-CD1 4.12Å; F37-L75 HydrophobicContact CD1-CB 3.82Å; F37-L75 HydrophobicContact CD1-CD1 4Å; F37-L75 HydrophobicContact CE1-CB 4.36Å; Y40-L75 HydrophobicContact CD2-CD1 3.5Å; Y40-L75 HydrophobicContact CD2-CD2 4.44Å; Y40-L75 HydrophobicContact CE2-CD1 4.25Å; Y40-L75 HydrophobicContact CE2-CD2 4.45Å; Y40-L75 HydrophobicContact CG-CD1 4Å; F71-L75 HydrophobicContact CD1-CD1 3.71Å; F71-L75 HydrophobicContact CD1-CG 3.95Å; F71-L75 HydrophobicContact CE1-CD1 3.57Å; F71-L75 HydrophobicContact CE1-CD2 3.67Å; F71-L75 HydrophobicContact CE1-CG 3.59Å; F71-L75 HydrophobicContact CE2-CD2 4.4Å; F71-L75 HydrophobicContact CE2-CG 4.33Å; F71-L75 HydrophobicContact CG-CG 4.45Å; F71-L75 HydrophobicContact CZ-CD1 4.3Å; F71-L75 HydrophobicContact CZ-CD2 3.6Å; F71-L75 HydrophobicContact CZ-CG 3.8Å; F71-L75 WeakPolarHBondContact O-CG 3.34Å; F71-L75 PolarHBondContact O-N 3Å; C72-L75 PolarHBondContact O-N 2.81Å; L75-S77 PolarHBondContact O-N 2.89Å; L75-G78 PolarHBondContact O-N 3.12Å |
| 76 | F | 87.8 | Confident | 88.9 | Confident | 70 Ų | 70 | 26.6 Ų | 26.6 | 31% | 0.307 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.3 | -31.4 | 175.4 | -178.3 | -97.6 | 0 | 0 | 0 | 112.5 | F37 R49 F50 C72 V74 G78 | F37-F76 HydrophobicContact CE1-CB 4.22Å; R49-F76 WeakPolarHBondContact O-CD1 3.18Å; F50-F76 HydrophobicContact CD1-CD1 4.35Å; F50-F76 HydrophobicContact CD1-CE1 4.41Å; F50-F76 HydrophobicContact CE1-CD1 4.38Å; F50-F76 HydrophobicContact CE1-CE1 4.2Å; F50-F76 HydrophobicContact CZ-CE1 4.29Å; C72-F76 PolarHBondContact O-N 3.21Å; V74-F76 VanDerWaalsContact C-N 3.34Å; V74-F76 PolarHBondContact O-N 2.87Å; F76-G78 PolarHBondContact O-N 3Å |
| 77 | S | 85.2 | Confident | 89.1 | Confident | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.7 | 177 | -54.4 | 0 | 0 | 0 | 0 | 113.2 | P51 T73 V74 L75 | P51-S77 WeakPolarHBondContact CD-OG 3.04Å; T73-S77 PolarHBondContact O-N 2.78Å; T73-S77 PolarHBondContact O-OG 2.85Å; V74-S77 WeakPolarHBondContact O-CA 3.21Å; V74-S77 WeakPolarHBondContact O-CB 3.21Å; V74-S77 PolarHBondContact O-N 3.37Å; L75-S77 PolarHBondContact O-N 2.89Å |
| 78 | G | 86.3 | Confident | 88.9 | Confident | 49 Ų | 49 | 27.5 Ų | 27.5 | 51% | 0.505 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 10.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V74 L75 F76 | V74-G78 PolarHBondContact O-N 2.98Å; L75-G78 PolarHBondContact O-N 3.12Å; F76-G78 PolarHBondContact O-N 3Å |
| 79 | Y | 87.7 | Confident | 88.9 | Confident | 23 Ų | 23 | 29 Ų | 29 | 9% | 0.09 | 16% | 0.164 | C | C | . | . | trans | -104.3 | 152.2 | -179.7 | -63.8 | -79.2 | 0 | 0 | 0 | 112.3 | V74 D83 T152 L162 P163 L165 | V74-Y79 PolarHBondContact O-N 2.72Å; Y79-D83 HydrophobicContact CD1-CB 3.89Å; Y79-D83 HydrophobicContact CG-CB 4.48Å; Y79-T152 HydrophobicContact CD1-CG2 3.53Å; Y79-T152 HydrophobicContact CD2-CG2 3.82Å; Y79-T152 HydrophobicContact CE1-CG2 3.59Å; Y79-T152 HydrophobicContact CE2-CG2 3.91Å; Y79-T152 HydrophobicContact CG-CG2 3.62Å; Y79-L162 HydrophobicContact CE1-CD1 4.47Å; Y79-L162 HydrophobicContact CE2-CB 4.41Å; Y79-P163 WeakPolarHBondContact CE2-O 3.4Å; Y79-P163 PolarHBondContact OH-O 2.02Å; Y79-L165 HydrophobicContact CD2-CD1 3.74Å; Y79-L165 HydrophobicContact CD2-CG 3.96Å; Y79-L165 HydrophobicContact CE2-CD1 4.27Å; Y79-L165 HydrophobicContact CE2-CG 3.96Å | ||
| 80 | S | 88.1 | Confident | 88.8 | Confident | 46 Ų | 46 | 30.6 Ų | 30.6 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | trans | -107 | -179.1 | -178.4 | 74.2 | 0 | 0 | 0 | 0 | 112.5 | T82 D83 | S80-T82 PolarHBondContact O-N 2.8Å; S80-T82 PolarHBondContact OG-OG1 3.04Å; S80-D83 WeakPolarHBondContact CA-OD2 3.41Å; S80-D83 WeakPolarHBondContact CB-OD2 3.48Å; S80-D83 PolarHBondContact N-OD2 3.21Å; S80-D83 PolarHBondContact O-N 2.87Å; S80-D83 VanDerWaalsContact OG-CG 3.29Å; S80-D83 PolarHBondContact OG-OD2 3.44Å | ||
| 81 | E | 76.6 | Confident | 88.5 | Confident | 99 Ų | 99 | 33.8 Ų | 33.8 | 46% | 0.463 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.7 | -178.9 | 71.9 | -170.4 | 166.9 | 0 | 0 | 114 | F71 I99 | F71-E81 HydrophobicContact CZ-CB 4.24Å; E81-I99 HydrophobicContact CB-CD1 3.24Å; E81-I99 HydrophobicContact CB-CG1 4.23Å; E81-I99 HydrophobicContact CG-CD1 4.38Å; E81-I99 WeakPolarHBondContact OE2-CD1 3.23Å |
| 82 | T | 84.8 | Confident | 88.3 | Confident | 55 Ų | 55 | 36.9 Ų | 36.9 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -12.4 | -175.6 | 52.4 | 0 | 0 | 0 | 0 | 114 | S80 R96 | S80-T82 PolarHBondContact O-N 2.8Å; S80-T82 PolarHBondContact OG-OG1 3.04Å; T82-R96 VanDerWaalsContact CG2-NH1 3.33Å |
| 83 | D | 88.9 | Confident | 88.2 | Confident | 42 Ų | 42 | 40.7 Ų | 40.7 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -29.9 | -171.4 | -60.5 | -37.6 | 0 | 0 | 0 | 111.3 | Y79 S80 H90 P153 | Y79-D83 HydrophobicContact CD1-CB 3.89Å; Y79-D83 HydrophobicContact CG-CB 4.48Å; S80-D83 WeakPolarHBondContact CA-OD2 3.41Å; S80-D83 WeakPolarHBondContact CB-OD2 3.48Å; S80-D83 PolarHBondContact N-OD2 3.21Å; S80-D83 PolarHBondContact O-N 2.87Å; S80-D83 VanDerWaalsContact OG-CG 3.29Å; S80-D83 PolarHBondContact OG-OD2 3.44Å; D83-H90 PolarHBondContact O-CE1 2.89Å; D83-H90 PolarHBondContact O-ND1 2.88Å; D83-P153 HydrophobicContact CB-CG 4.45Å; D83-P153 VanDerWaalsContact O-CD 3.28Å; D83-P153 WeakPolarHBondContact O-CD 3.31Å |
| 84 | L | 91.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | trans | -80.8 | 125.5 | 176.5 | -65.7 | 170.6 | 0 | 0 | 0 | 111.3 | V74 V108 F110 I150 D151 T152 Y167 | V74-L84 HydrophobicContact CB-CD1 4.4Å; V74-L84 HydrophobicContact CG1-CD1 3.7Å; V74-L84 HydrophobicContact CG1-CG 4.22Å; V74-L84 HydrophobicContact CG2-CD1 3.87Å; L84-V108 HydrophobicContact CD1-CG1 4.04Å; L84-F110 HydrophobicContact CB-CE2 4.42Å; L84-F110 HydrophobicContact CB-CZ 3.76Å; L84-I150 HydrophobicContact CB-CG2 3.95Å; L84-I150 HydrophobicContact CD2-CG2 4.03Å; L84-D151 WeakPolarHBondContact CA-O 3.05Å; L84-T152 HydrophobicContact CD2-CG2 3.85Å; L84-Y167 HydrophobicContact CD2-CD2 4.46Å; L84-Y167 HydrophobicContact CD2-CE2 4.15Å | ||
| 85 | A | 93.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 157.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H90 C95 I150 D151 | A85-H90 HydrophobicContact CB-CB 4.34Å; A85-H90 WeakPolarHBondContact CB-ND1 3.08Å; A85-C95 WeakPolarHBondContact CA-O 3.43Å; A85-I150 VanDerWaalsContact O-CA 3.3Å; A85-I150 WeakPolarHBondContact O-CA 3.24Å; A85-D151 PolarHBondContact N-O 3.2Å; A85-D151 PolarHBondContact O-N 3.26Å |
| 86 | L | 92.2 | Very high | 88.2 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.3 | 173.9 | -73.9 | 163.7 | 0 | 0 | 0 | 111.3 | M67 G88 R89 C95 F110 I112 C120 I150 F169 | M67-L86 HydrophobicContact CE-CD2 4.1Å; L86-G88 VanDerWaalsContact C-N 3.27Å; L86-G88 PolarHBondContact O-N 3.29Å; L86-R89 WeakPolarHBondContact O-CB 3.48Å; L86-R89 PolarHBondContact O-N 2.88Å; L86-C95 HydrophobicContact CB-CB 4.27Å; L86-C95 PolarHBondContact N-O 2.81Å; L86-F110 HydrophobicContact CD1-CD1 4.04Å; L86-F110 HydrophobicContact CD2-CD1 4.3Å; L86-F110 HydrophobicContact CG-CD1 3.78Å; L86-F110 HydrophobicContact CG-CE1 4.28Å; L86-I112 HydrophobicContact CD1-CD1 4.23Å; L86-I112 HydrophobicContact CD1-CG1 3.78Å; L86-I112 HydrophobicContact CD2-CD1 4.01Å; L86-I112 HydrophobicContact CD2-CG1 4.43Å; L86-C120 HydrophobicContact CB-CB 3.98Å; L86-C120 HydrophobicContact CD1-CB 4.11Å; L86-I150 HydrophobicContact CD2-CD1 4.13Å; L86-I150 HydrophobicContact CD2-CG1 3.51Å; L86-I150 HydrophobicContact CG-CG1 4.26Å; L86-F169 HydrophobicContact CD2-CE1 3.93Å; L86-F169 HydrophobicContact CD2-CZ 4.34Å |
| 87 | N | 89.9 | Confident | 88.3 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 43.9 | 173.7 | -52.5 | -52.9 | 0 | 0 | 0 | 113.4 | R89 C120 N122 G148 Y149 | N87-R89 PolarHBondContact O-N 3.43Å; N87-C120 PolarHBondContact ND2-O 3.46Å; N87-N122 PolarHBondContact ND2-N 3.15Å; N87-N122 PolarHBondContact ND2-OD1 2.82Å; N87-G148 VanDerWaalsContact OD1-CA 3.27Å; N87-G148 WeakPolarHBondContact OD1-CA 3.18Å; N87-Y149 HydrophobicContact CB-CE1 4.48Å; N87-Y149 PolarHBondContact N-O 2.79Å; N87-Y149 PolarHBondContact OD1-N 3.02Å; N87-Y149 PolarHBondContact OD1-O 3.15Å |
| 88 | G | 87.8 | Confident | 88.6 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 7.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L86 H90 D151 | L86-G88 VanDerWaalsContact C-N 3.27Å; L86-G88 PolarHBondContact O-N 3.29Å; G88-H90 PolarHBondContact O-CD2 2.76Å; G88-H90 VanDerWaalsContact O-CD2 3.24Å; G88-H90 PolarHBondContact O-N 2.81Å; G88-D151 VanDerWaalsContact CA-OD1 3.29Å; G88-D151 WeakPolarHBondContact CA-OD1 3.28Å; G88-D151 PolarHBondContact N-OD1 2.84Å |
| 89 | R | 90.4 | Very high | 88.9 | Confident | 114 Ų | 114 | 53.1 Ų | 53.1 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | trans | -82.2 | 55.2 | -178.5 | -62.9 | -162.2 | -178.2 | -112.7 | -0 | 113.1 | L86 N87 G91 D92 C95 | L86-R89 WeakPolarHBondContact O-CB 3.48Å; L86-R89 PolarHBondContact O-N 2.88Å; N87-R89 PolarHBondContact O-N 3.43Å; R89-G91 PolarHBondContact O-N 3.06Å; R89-D92 PolarHBondContact O-N 2.86Å; R89-C95 HydrophobicContact CB-CB 3.95Å | ||
| 90 | H | 89.3 | Confident | 89.1 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -25.6 | -179 | -57.2 | -77.1 | 0 | 0 | 0 | 113.9 | D83 A85 G88 D92 R96 D151 T152 | D83-H90 PolarHBondContact O-CE1 2.89Å; D83-H90 PolarHBondContact O-ND1 2.88Å; A85-H90 HydrophobicContact CB-CB 4.34Å; A85-H90 WeakPolarHBondContact CB-ND1 3.08Å; G88-H90 PolarHBondContact O-CD2 2.76Å; G88-H90 VanDerWaalsContact O-CD2 3.24Å; G88-H90 PolarHBondContact O-N 2.81Å; H90-D92 VanDerWaalsContact C-N 3.26Å; H90-D92 PolarHBondContact O-N 2.77Å; H90-R96 PolarHBondContact O-NE 3.3Å; H90-R96 PolarHBondContact O-NH2 3.16Å; H90-D151 PolarHBondContact CE1-O 2.03Å; H90-D151 VanDerWaalsContact CE1-O 3.29Å; H90-D151 IonicContact CE1-OD1 2.79Å; H90-D151 IonicContact NE2-OD1 3.69Å; H90-D151 IonicContact NE2-OD2 3.76Å; H90-T152 VanDerWaalsContact CE1-C 3.44Å |
| 91 | G | 86.4 | Confident | 89.2 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 86% | 0.856 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -13.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | R89 | R89-G91 PolarHBondContact O-N 3.06Š|
| 92 | D | 88.4 | Confident | 89.9 | Confident | 65 Ų | 65 | 57.7 Ų | 57.7 | 35% | 0.348 | 32% | 0.32 | S | S | . | . | trans | -110.5 | 116.2 | -173.2 | -144 | -33.8 | 0 | 0 | 0 | 110.8 | R89 H90 H94 C95 | R89-D92 PolarHBondContact O-N 2.86Å; H90-D92 VanDerWaalsContact C-N 3.26Å; H90-D92 PolarHBondContact O-N 2.77Å; D92-H94 PolarHBondContact O-N 2.95Å; D92-H94 IonicContact OD1-ND1 2.73Å; D92-C95 HydrophobicContact CB-CB 4.43Å; D92-C95 PolarHBondContact O-N 2.87Å; D92-C95 VanDerWaalsContact O-N 3.13Å | ||
| 93 | S | 87.3 | Confident | 90 | Very high | 81 Ų | 81 | 57.4 Ų | 57.4 | 57% | 0.566 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -64.6 | -26.6 | -176.6 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | C95 R96 | S93-C95 PolarHBondContact O-N 3.47Å; S93-R96 PolarHBondContact O-N 2.79Å |
| 94 | H | 87.7 | Confident | 89.8 | Confident | 161 Ų | 161 | 61 Ų | 61 | 75% | 0.745 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -70.5 | -18.8 | 178.2 | -63.2 | 91.3 | 0 | 0 | 0 | 113.3 | D92 | D92-H94 PolarHBondContact O-N 2.95Å; D92-H94 IonicContact OD1-ND1 2.73Å |
| 95 | C | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -96.9 | 4.8 | 179.4 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | A85 L86 R89 D92 S93 C120 | A85-C95 WeakPolarHBondContact CA-O 3.43Å; L86-C95 HydrophobicContact CB-CB 4.27Å; L86-C95 PolarHBondContact N-O 2.81Å; R89-C95 HydrophobicContact CB-CB 3.95Å; D92-C95 HydrophobicContact CB-CB 4.43Å; D92-C95 PolarHBondContact O-N 2.87Å; D92-C95 VanDerWaalsContact O-N 3.13Å; S93-C95 PolarHBondContact O-N 3.47Å; C95-C120 WeakPolarHBondContact CA-SG 3.35Å; C95-C120 HydrophobicContact CB-CB 3.9Å; C95-C120 WeakPolarHBondContact CB-SG 3.49Å; C95-C120 WeakPolarHBondContact SG-CA 3.47Å; C95-C120 WeakPolarHBondContact SG-CB 3.43Å; C95-C120 CovalentContact SG-SG 2.05Å; C95-C120 PolarHBondContact SG-SG 2.87Å |
| 96 | R | 92.2 | Very high | 89.7 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -91.2 | 155.2 | 175.1 | -60 | -179.3 | -176.8 | -172.4 | -5 | 110.7 | T82 H90 S93 | T82-R96 VanDerWaalsContact CG2-NH1 3.33Å; H90-R96 PolarHBondContact O-NE 3.3Å; H90-R96 PolarHBondContact O-NH2 3.16Å; S93-R96 PolarHBondContact O-N 2.79Å |
| 97 | G | 89.5 | Confident | 89.7 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | trans | -83.9 | 157.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | I109 | G97-I109 CarbonylContact C-O 3.46Å; G97-I109 WeakPolarHBondContact CA-O 3.32Å | ||
| 98 | F | 92.1 | Very high | 89.9 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 46% | 0.456 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 141.5 | 172 | 62.9 | -87 | 0 | 0 | 0 | 110.6 | V108 I109 I111 | F98-V108 WeakPolarHBondContact O-CA 3.39Å; F98-I109 HydrophobicContact CD1-CB 4.16Å; F98-I109 WeakPolarHBondContact CD1-O 3.05Å; F98-I109 HydrophobicContact CD2-CB 4.11Å; F98-I109 HydrophobicContact CD2-CD1 4.42Å; F98-I109 HydrophobicContact CE1-CB 3.68Å; F98-I109 HydrophobicContact CE1-CG2 3.6Å; F98-I109 WeakPolarHBondContact CE1-O 3.08Å; F98-I109 HydrophobicContact CE2-CB 3.65Å; F98-I109 HydrophobicContact CE2-CD1 3.63Å; F98-I109 HydrophobicContact CE2-CG1 4.09Å; F98-I109 HydrophobicContact CE2-CG2 4.04Å; F98-I109 HydrophobicContact CG-CB 4.36Å; F98-I109 HydrophobicContact CZ-CB 3.42Å; F98-I109 VanDerWaalsContact CZ-CB 3.42Å; F98-I109 HydrophobicContact CZ-CD1 3.98Å; F98-I109 HydrophobicContact CZ-CG1 4.25Å; F98-I109 HydrophobicContact CZ-CG2 3.33Å; F98-I109 PolarHBondContact N-O 3.07Å; F98-I109 PolarHBondContact O-N 2.95Å; F98-I111 HydrophobicContact CE1-CD1 3.54Å; F98-I111 HydrophobicContact CE1-CG1 3.87Å; F98-I111 HydrophobicContact CZ-CD1 3.79Å; F98-I111 HydrophobicContact CZ-CG1 4.38Å |
| 99 | I | 92.6 | Very high | 90.1 | Very high | 40 Ų | 40 | 61.5 Ų | 61.5 | 21% | 0.205 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 134.8 | -178.2 | -64.9 | 169.7 | 0 | 0 | 0 | 110.5 | Y40 F71 E81 V108 | Y40-I99 HydrophobicContact CD1-CG2 4.24Å; Y40-I99 HydrophobicContact CE1-CD1 4.22Å; Y40-I99 HydrophobicContact CE1-CG2 3.85Å; F71-I99 HydrophobicContact CD1-CD1 3.87Å; F71-I99 HydrophobicContact CD1-CG1 4.35Å; F71-I99 HydrophobicContact CD1-CG2 4.3Å; F71-I99 HydrophobicContact CD2-CD1 4.27Å; F71-I99 HydrophobicContact CE1-CD1 3.39Å; F71-I99 HydrophobicContact CE1-CG1 4.33Å; F71-I99 HydrophobicContact CE2-CD1 3.86Å; F71-I99 HydrophobicContact CG-CD1 4.29Å; F71-I99 HydrophobicContact CG-CG1 4.45Å; F71-I99 HydrophobicContact CZ-CD1 3.4Å; F71-I99 HydrophobicContact CZ-CG1 4.42Å; E81-I99 HydrophobicContact CB-CD1 3.24Å; E81-I99 HydrophobicContact CB-CG1 4.23Å; E81-I99 HydrophobicContact CG-CD1 4.38Å; E81-I99 WeakPolarHBondContact OE2-CD1 3.23Å; I99-V108 HydrophobicContact CG1-CB 4.3Å; I99-V108 HydrophobicContact CG1-CG2 4.31Å |
| 100 | N | 90.9 | Very high | 90.2 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 104 | 165.5 | -171.9 | -9.2 | 0 | 0 | 0 | 109.5 | N102 T103 V107 I109 | N100-N102 VanDerWaalsContact C-N 3.34Å; N100-N102 WeakPolarHBondContact OD1-CB 3.47Å; N100-N102 PolarHBondContact OD1-N 2.86Å; N100-T103 PolarHBondContact O-OG1 2.59Å; N100-V107 HydrophobicContact CB-CG2 4.09Å; N100-V107 PolarHBondContact N-O 2.84Å; N100-V107 PolarHBondContact O-N 3.16Å; N100-I109 HydrophobicContact CB-CD1 4.07Å |
| 101 | N | 90.9 | Very high | 90.2 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 34% | 0.337 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -4.8 | 178.3 | -162.9 | 29.1 | 0 | 0 | 0 | 113.5 | Y40 N41 T103 | Y40-N101 VanDerWaalsContact CA-OD1 3.32Å; Y40-N101 WeakPolarHBondContact CA-OD1 3.47Å; Y40-N101 HydrophobicContact CD1-CB 4.29Å; N41-N101 WeakPolarHBondContact CB-O 3.5Å; N41-N101 PolarHBondContact N-OD1 2.99Å; N101-T103 VanDerWaalsContact C-N 3.26Å; N101-T103 PolarHBondContact O-N 3.48Å |
| 102 | N | 90.3 | Very high | 90.1 | Very high | 152 Ų | 152 | 54.8 Ų | 54.8 | 81% | 0.813 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11.8 | -179.7 | -61 | -46.7 | 0 | 0 | 0 | 112.6 | N100 | N100-N102 VanDerWaalsContact C-N 3.34Å; N100-N102 WeakPolarHBondContact OD1-CB 3.47Å; N100-N102 PolarHBondContact OD1-N 2.86Å |
| 103 | T | 87.3 | Confident | 89.7 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 31% | 0.307 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -91.9 | 155.4 | 176.4 | 59.3 | 0 | 0 | 0 | 0 | 111 | N41 N100 N101 P105 A106 | N41-T103 WeakPolarHBondContact CB-O 3.47Å; N41-T103 PolarHBondContact ND2-O 2.83Å; N41-T103 VanDerWaalsContact ND2-O 3.07Å; N100-T103 PolarHBondContact O-OG1 2.59Å; N101-T103 VanDerWaalsContact C-N 3.26Å; N101-T103 PolarHBondContact O-N 3.48Å; T103-P105 CarbonylContact C-O 3.51Å; T103-P105 VanDerWaalsContact C-O 3.23Å; T103-P105 WeakPolarHBondContact CB-O 3.01Å; T103-P105 CarbonylContact O-C 3.47Å; T103-P105 PolarHBondContact OG1-O 2.84Å; T103-A106 PolarHBondContact O-N 2.78Å |
| 104 | F | 85.8 | Confident | 89 | Confident | 117 Ų | 117 | 53.1 Ų | 53.1 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -119.4 | 111.2 | 170.5 | -178.2 | -102.7 | 0 | 0 | 0 | 109.3 | N41 D43 | N41-F104 VanDerWaalsContact OD1-CD2 3.32Å; N41-F104 WeakPolarHBondContact OD1-CD2 3.45Å; D43-F104 HydrophobicContact CB-CE2 3.93Å; D43-F104 HydrophobicContact CB-CZ 3.68Å |
| 105 | P | 88.4 | Confident | 88.1 | Confident | 34 Ų | 34 | 50 Ų | 50 | 22% | 0.221 | 26% | 0.264 | C | S | . | . | S | Bend | cis | -69.9 | 164.6 | -3.5 | 26.3 | -31.4 | 0 | 0 | 0 | 114 | N41 H47 N70 C72 T103 | N41-P105 WeakPolarHBondContact O-CA 3.19Å; H47-P105 WeakPolarHBondContact NE2-CB 3.43Å; N70-P105 WeakPolarHBondContact OD1-CB 3.29Å; C72-P105 HydrophobicContact CB-CB 4.49Å; C72-P105 WeakPolarHBondContact SG-CB 3.46Å; T103-P105 CarbonylContact C-O 3.51Å; T103-P105 VanDerWaalsContact C-O 3.23Å; T103-P105 WeakPolarHBondContact CB-O 3.01Å; T103-P105 CarbonylContact O-C 3.47Å; T103-P105 PolarHBondContact OG1-O 2.84Å |
| 106 | A | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -59.1 | 138.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y40 N41 F71 T103 | Y40-A106 HydrophobicContact CD1-CB 4.46Å; N41-A106 PolarHBondContact O-N 3.05Å; N41-A106 VanDerWaalsContact O-N 3.16Å; F71-A106 WeakPolarHBondContact CB-O 3.21Å; F71-A106 PolarHBondContact N-O 3.09Å; T103-A106 PolarHBondContact O-N 2.78Å | ||
| 107 | V | 93.3 | Very high | 86.5 | Confident | 24 Ų | 24 | 50.7 Ų | 50.7 | 15% | 0.145 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.4 | -177.8 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | I69 N100 I109 | I69-V107 CarbonylContact O-C 3.52Å; I69-V107 VanDerWaalsContact O-CA 3.25Å; I69-V107 WeakPolarHBondContact O-CA 3.39Å; I69-V107 WeakPolarHBondContact O-CB 3.43Å; N100-V107 HydrophobicContact CB-CG2 4.09Å; N100-V107 PolarHBondContact N-O 2.84Å; N100-V107 PolarHBondContact O-N 3.16Å; V107-I109 HydrophobicContact CG2-CD1 4.12Å; V107-I109 HydrophobicContact CG2-CG1 3.98Å |
| 108 | V | 93.7 | Very high | 86 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132.6 | 166.7 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | K68 I69 F71 L84 F98 I99 F110 | K68-V108 WeakPolarHBondContact CA-O 3.29Å; I69-V108 HydrophobicContact CB-CG1 3.63Å; I69-V108 HydrophobicContact CG2-CG1 4.14Å; I69-V108 PolarHBondContact N-O 2.52Å; I69-V108 PolarHBondContact O-N 3.09Å; F71-V108 HydrophobicContact CB-CB 4.44Å; F71-V108 HydrophobicContact CD2-CB 4.17Å; F71-V108 HydrophobicContact CD2-CG1 4.3Å; L84-V108 HydrophobicContact CD1-CG1 4.04Å; F98-V108 WeakPolarHBondContact O-CA 3.39Å; I99-V108 HydrophobicContact CG1-CB 4.3Å; I99-V108 HydrophobicContact CG1-CG2 4.31Å; V108-F110 HydrophobicContact CG1-CE2 4.12Å; V108-F110 HydrophobicContact CG2-CD2 4.38Å; V108-F110 HydrophobicContact CG2-CE2 3.76Å; V108-F110 HydrophobicContact CG2-CZ 4.36Å |
| 109 | I | 93.1 | Very high | 85.4 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.1 | -171.9 | -53.7 | 175.6 | 0 | 0 | 0 | 109 | T66 M67 K68 G97 F98 N100 V107 I111 | T66-I109 HydrophobicContact CG2-CG2 3.75Å; M67-I109 CarbonylContact O-C 3.53Å; M67-I109 VanDerWaalsContact O-CA 3.3Å; M67-I109 WeakPolarHBondContact O-CA 3.31Å; K68-I109 HydrophobicContact CG-CG1 4.2Å; G97-I109 CarbonylContact C-O 3.46Å; G97-I109 WeakPolarHBondContact CA-O 3.32Å; F98-I109 HydrophobicContact CD1-CB 4.16Å; F98-I109 WeakPolarHBondContact CD1-O 3.05Å; F98-I109 HydrophobicContact CD2-CB 4.11Å; F98-I109 HydrophobicContact CD2-CD1 4.42Å; F98-I109 HydrophobicContact CE1-CB 3.68Å; F98-I109 HydrophobicContact CE1-CG2 3.6Å; F98-I109 WeakPolarHBondContact CE1-O 3.08Å; F98-I109 HydrophobicContact CE2-CB 3.65Å; F98-I109 HydrophobicContact CE2-CD1 3.63Å; F98-I109 HydrophobicContact CE2-CG1 4.09Å; F98-I109 HydrophobicContact CE2-CG2 4.04Å; F98-I109 HydrophobicContact CG-CB 4.36Å; F98-I109 HydrophobicContact CZ-CB 3.42Å; F98-I109 VanDerWaalsContact CZ-CB 3.42Å; F98-I109 HydrophobicContact CZ-CD1 3.98Å; F98-I109 HydrophobicContact CZ-CG1 4.25Å; F98-I109 HydrophobicContact CZ-CG2 3.33Å; F98-I109 PolarHBondContact N-O 3.07Å; F98-I109 PolarHBondContact O-N 2.95Å; N100-I109 HydrophobicContact CB-CD1 4.07Å; V107-I109 HydrophobicContact CG2-CD1 4.12Å; V107-I109 HydrophobicContact CG2-CG1 3.98Å; I109-I111 HydrophobicContact CG2-CG1 4.24Å |
| 110 | F | 92.3 | Very high | 85 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.3 | 173.2 | -70 | -99.4 | 0 | 0 | 0 | 109 | T66 M67 I69 L84 L86 V108 I150 | T66-F110 CarbonylContact C-O 3.53Å; T66-F110 WeakPolarHBondContact CA-O 3.05Å; M67-F110 HydrophobicContact CB-CB 4.3Å; M67-F110 HydrophobicContact CE-CB 3.68Å; M67-F110 PolarHBondContact N-O 2.9Å; M67-F110 PolarHBondContact O-N 3.27Å; I69-F110 HydrophobicContact CD1-CD2 4.4Å; I69-F110 HydrophobicContact CD1-CE2 4.19Å; L84-F110 HydrophobicContact CB-CE2 4.42Å; L84-F110 HydrophobicContact CB-CZ 3.76Å; L86-F110 HydrophobicContact CD1-CD1 4.04Å; L86-F110 HydrophobicContact CD2-CD1 4.3Å; L86-F110 HydrophobicContact CG-CD1 3.78Å; L86-F110 HydrophobicContact CG-CE1 4.28Å; V108-F110 HydrophobicContact CG1-CE2 4.12Å; V108-F110 HydrophobicContact CG2-CD2 4.38Å; V108-F110 HydrophobicContact CG2-CE2 3.76Å; V108-F110 HydrophobicContact CG2-CZ 4.36Å; F110-I150 HydrophobicContact CB-CD1 4.23Å; F110-I150 HydrophobicContact CD1-CD1 4.17Å; F110-I150 HydrophobicContact CD1-CG1 4.39Å; F110-I150 HydrophobicContact CD2-CD1 3.62Å; F110-I150 HydrophobicContact CE1-CD1 4.44Å; F110-I150 HydrophobicContact CE1-CG1 4.4Å; F110-I150 HydrophobicContact CE1-CG2 4.17Å; F110-I150 HydrophobicContact CE2-CD1 3.96Å; F110-I150 HydrophobicContact CE2-CG2 4.06Å; F110-I150 HydrophobicContact CG-CD1 3.74Å; F110-I150 HydrophobicContact CG-CG1 4.45Å; F110-I150 HydrophobicContact CZ-CD1 4.36Å; F110-I150 HydrophobicContact CZ-CG2 3.72Å |
| 111 | I | 88.3 | Confident | 84.6 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 42% | 0.415 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.6 | 177.7 | -61.3 | 174.3 | 0 | 0 | 0 | 108.1 | A64 I65 T66 F98 I109 | A64-I111 HydrophobicContact CB-CG2 3.89Å; I65-I111 WeakPolarHBondContact O-CA 2.99Å; T66-I111 HydrophobicContact CG2-CG1 4.34Å; F98-I111 HydrophobicContact CE1-CD1 3.54Å; F98-I111 HydrophobicContact CE1-CG1 3.87Å; F98-I111 HydrophobicContact CZ-CD1 3.79Å; F98-I111 HydrophobicContact CZ-CG1 4.38Å; I109-I111 HydrophobicContact CG2-CG1 4.24Å |
| 112 | I | 84.1 | Confident | 84 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 111.7 | 172.8 | -57 | 165 | 0 | 0 | 0 | 107.4 | A64 I65 M67 L86 L117 N122 F169 | A64-I112 CarbonylContact C-O 3.51Å; A64-I112 WeakPolarHBondContact CA-O 3.33Å; A64-I112 WeakPolarHBondContact CB-O 3.26Å; I65-I112 HydrophobicContact CB-CB 4.31Å; I65-I112 PolarHBondContact N-O 2.96Å; I65-I112 PolarHBondContact O-N 3.11Å; M67-I112 HydrophobicContact CE-CD1 3.45Å; M67-I112 VanDerWaalsContact CE-CD1 3.45Å; M67-I112 HydrophobicContact CE-CG1 3.83Å; L86-I112 HydrophobicContact CD1-CD1 4.23Å; L86-I112 HydrophobicContact CD1-CG1 3.78Å; L86-I112 HydrophobicContact CD2-CD1 4.01Å; L86-I112 HydrophobicContact CD2-CG1 4.43Å; I112-L117 HydrophobicContact CG2-CD1 3.86Å; I112-N122 WeakPolarHBondContact CG2-ND2 3.35Å; I112-F169 HydrophobicContact CD1-CE1 4.2Å; I112-F169 HydrophobicContact CD1-CE2 3.73Å; I112-F169 HydrophobicContact CD1-CZ 3.33Å |
| 113 | N | 80.8 | Confident | 83.1 | Confident | 77 Ų | 77 | 48.2 Ų | 48.2 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 133.1 | 172.9 | -64.5 | -40.4 | 0 | 0 | 0 | 110 | A64 S115 T116 L117 | A64-N113 WeakPolarHBondContact CB-OD1 3.48Å; N113-S115 PolarHBondContact O-N 3.12Å; N113-T116 CarbonylContact O-C 3.6Å; N113-T116 PolarHBondContact O-N 2.8Å; N113-T116 VanDerWaalsContact O-N 3.15Å; N113-L117 PolarHBondContact O-N 2.73Å |
| 114 | L | 73.1 | Confident | 82.2 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -64.9 | -27.9 | 177.9 | -104.4 | 59.7 | 0 | 0 | 0 | 112.3 | Q63 I65 T116 L117 I146 L178 | Q63-L114 PolarHBondContact O-N 2.94Å; I65-L114 HydrophobicContact CD1-CD1 4.07Å; I65-L114 HydrophobicContact CG1-CD1 3.97Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 2.78Å; L114-L117 HydrophobicContact CD1-CD1 4.18Å; L114-L117 HydrophobicContact CG-CD1 4.45Å; L114-I146 HydrophobicContact CD1-CD1 4.06Å; L114-I146 HydrophobicContact CG-CD1 4.18Å; L114-L178 HydrophobicContact CD2-CD2 3.55Å; L114-L178 HydrophobicContact CG-CD2 4.15Å |
| 115 | S | 69 | Low | 81.5 | Confident | 96 Ų | 96 | 46.5 Ų | 46.5 | 67% | 0.671 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -69.6 | -23.5 | 175.3 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | N113 | N113-S115 PolarHBondContact O-N 3.12Š|
| 116 | T | 76.5 | Confident | 80.4 | Confident | 85 Ų | 85 | 48 Ų | 48 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -125.2 | 38.1 | -178.7 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | N113 L114 E118 G119 | N113-T116 CarbonylContact O-C 3.6Å; N113-T116 PolarHBondContact O-N 2.8Å; N113-T116 VanDerWaalsContact O-N 3.15Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 2.78Å; T116-E118 VanDerWaalsContact C-N 3.26Å; T116-E118 PolarHBondContact O-N 3.35Å; T116-G119 PolarHBondContact O-N 2.78Å |
| 117 | L | 72.6 | Confident | 78.8 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -55 | -42.2 | -170.6 | -160.5 | 77.7 | 0 | 0 | 0 | 112.8 | I112 N113 L114 G119 N122 L124 I146 | I112-L117 HydrophobicContact CG2-CD1 3.86Å; N113-L117 PolarHBondContact O-N 2.73Å; L114-L117 HydrophobicContact CD1-CD1 4.18Å; L114-L117 HydrophobicContact CG-CD1 4.45Å; L117-G119 PolarHBondContact O-N 2.91Å; L117-N122 HydrophobicContact CD1-CB 4.5Å; L117-N122 HydrophobicContact CG-CB 4.09Å; L117-N122 WeakPolarHBondContact O-CB 3.15Å; L117-N122 PolarHBondContact O-ND2 2.91Å; L117-L124 HydrophobicContact CD2-CB 4.02Å; L117-I146 HydrophobicContact CD1-CD1 3.72Å; L117-I146 HydrophobicContact CD1-CG1 4.45Å; L117-I146 HydrophobicContact CD1-CG2 3.94Å; L117-I146 HydrophobicContact CD2-CD1 3.82Å; L117-I146 HydrophobicContact CD2-CG1 3.98Å; L117-I146 HydrophobicContact CD2-CG2 4.28Å; L117-I146 HydrophobicContact CG-CD1 4.44Å; L117-I146 HydrophobicContact CG-CG2 4.5Å |
| 118 | E | 77.6 | Confident | 77.3 | Confident | 163 Ų | 163 | 52.9 Ų | 52.9 | 76% | 0.762 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -70.4 | -17.3 | -177.9 | -61.2 | -177.5 | 177.3 | 0 | 0 | 113.5 | T116 C120 G121 | T116-E118 VanDerWaalsContact C-N 3.26Å; T116-E118 PolarHBondContact O-N 3.35Å; E118-C120 PolarHBondContact O-N 3.15Å; E118-C120 VanDerWaalsContact O-N 3.13Å; E118-G121 PolarHBondContact O-N 2.85Å |
| 119 | G | 79.9 | Confident | 75.6 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 49% | 0.485 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -57.7 | -32.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T116 L117 | T116-G119 PolarHBondContact O-N 2.78Å; L117-G119 PolarHBondContact O-N 2.91Å |
| 120 | C | 85.5 | Confident | 73.9 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 11% | 0.108 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -112.8 | 24.9 | 175.7 | -67.2 | 0 | 0 | 0 | 0 | 113.7 | L86 N87 C95 E118 N122 | L86-C120 HydrophobicContact CB-CB 3.98Å; L86-C120 HydrophobicContact CD1-CB 4.11Å; N87-C120 PolarHBondContact ND2-O 3.46Å; C95-C120 WeakPolarHBondContact CA-SG 3.35Å; C95-C120 HydrophobicContact CB-CB 3.9Å; C95-C120 WeakPolarHBondContact CB-SG 3.49Å; C95-C120 WeakPolarHBondContact SG-CA 3.47Å; C95-C120 WeakPolarHBondContact SG-CB 3.43Å; C95-C120 CovalentContact SG-SG 2.05Å; C95-C120 PolarHBondContact SG-SG 2.87Å; E118-C120 PolarHBondContact O-N 3.15Å; E118-C120 VanDerWaalsContact O-N 3.13Å; C120-N122 VanDerWaalsContact C-N 3.3Å; C120-N122 PolarHBondContact O-N 2.73Å |
| 121 | G | 80.9 | Confident | 72 | Confident | 34 Ų | 34 | 63 Ų | 63 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 18.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E118 | E118-G121 PolarHBondContact O-N 2.85Š|
| 122 | N | 78.9 | Confident | 70 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.032 | 40% | 0.399 | C | S | . | . | trans | -74.6 | 142.7 | 171.2 | -51.5 | -74.1 | 0 | 0 | 0 | 109.1 | N87 I112 L117 C120 | N87-N122 PolarHBondContact ND2-N 3.15Å; N87-N122 PolarHBondContact ND2-OD1 2.82Å; I112-N122 WeakPolarHBondContact CG2-ND2 3.35Å; L117-N122 HydrophobicContact CD1-CB 4.5Å; L117-N122 HydrophobicContact CG-CB 4.09Å; L117-N122 WeakPolarHBondContact O-CB 3.15Å; L117-N122 PolarHBondContact O-ND2 2.91Å; C120-N122 VanDerWaalsContact C-N 3.3Å; C120-N122 PolarHBondContact O-N 2.73Å | ||
| 123 | N | 70.7 | Confident | 68.3 | Low | 105 Ų | 105 | 67.1 Ų | 67.1 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.8 | 179.5 | -168.6 | 16.7 | 0 | 0 | 0 | 111 | ||
| 124 | L | 69.2 | Low | 66.7 | Low | 55 Ų | 55 | 68.5 Ų | 68.5 | 29% | 0.288 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 106 | 170.3 | 179.7 | 71.1 | 0 | 0 | 0 | 108.5 | L117 V126 I146 L178 | L117-L124 HydrophobicContact CD2-CB 4.02Å; L124-V126 HydrophobicContact CD2-CG2 4.47Å; L124-V126 HydrophobicContact CG-CG2 4.42Å; L124-I146 HydrophobicContact CB-CG1 4.5Å; L124-I146 HydrophobicContact CD1-CD1 4.08Å; L124-I146 HydrophobicContact CD1-CG1 3.48Å; L124-I146 VanDerWaalsContact CD1-CG1 3.48Å; L124-L178 HydrophobicContact CD1-CD1 3.69Å; L124-L178 HydrophobicContact CD2-CD1 3.89Å; L124-L178 HydrophobicContact CG-CD1 4.46Å |
| 125 | V | 70.2 | Confident | 65.8 | Low | 75 Ų | 75 | 76.8 Ų | 76.8 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 113.6 | 173.4 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | N145 | V125-N145 PolarHBondContact N-O 2.82Å; V125-N145 PolarHBondContact O-N 3.1Å |
| 126 | V | 66.2 | Low | 64.9 | Low | 67 Ų | 67 | 74.9 Ų | 74.9 | 41% | 0.406 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 117.6 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | L124 Q142 I143 L175 | L124-V126 HydrophobicContact CD2-CG2 4.47Å; L124-V126 HydrophobicContact CG-CG2 4.42Å; V126-Q142 HydrophobicContact CG1-CB 4.17Å; V126-I143 CarbonylContact C-O 3.53Å; V126-I143 WeakPolarHBondContact CA-O 3.13Å; V126-L175 HydrophobicContact CB-CD1 4.19Å; V126-L175 HydrophobicContact CG1-CD1 3.39Å; V126-L175 HydrophobicContact CG2-CD1 3.81Å; V126-L175 HydrophobicContact CG2-CD2 4.17Å; V126-L175 HydrophobicContact CG2-CG 4.42Å |
| 127 | S | 59.9 | Low | 63.7 | Low | 50 Ų | 50 | 76.1 Ų | 76.1 | 35% | 0.35 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135 | 171.2 | 61.4 | 0 | 0 | 0 | 0 | 110.1 | Q142 I143 | S127-Q142 WeakPolarHBondContact O-CA 3.5Å; S127-I143 PolarHBondContact N-O 2.05Å; S127-I143 PolarHBondContact O-N 3.27Å |
| 128 | T | 61.5 | Low | 62.6 | Low | 75 Ų | 75 | 79.5 Ų | 79.5 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 109.9 | 172.2 | 60.2 | 0 | 0 | 0 | 0 | 107.9 | P130 V141 Q142 | T128-P130 VanDerWaalsContact O-CD 3.28Å; T128-P130 WeakPolarHBondContact O-CD 3.47Å; T128-V141 WeakPolarHBondContact CA-O 3.49Å; T128-Q142 HydrophobicContact CG2-CB 4.49Å; T128-Q142 HydrophobicContact CG2-CG 3.83Å |
| 129 | I | 57.9 | Low | 61.4 | Low | 93 Ų | 93 | 75.1 Ų | 75.1 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 116.3 | 175.7 | -58.1 | -177 | 0 | 0 | 0 | 107.6 | G131 S140 V141 I143 | I129-G131 PolarHBondContact O-N 2.85Å; I129-S140 WeakPolarHBondContact O-CA 3.45Å; I129-V141 PolarHBondContact N-O 2.87Å; I129-V141 PolarHBondContact O-N 2.91Å; I129-V141 VanDerWaalsContact O-N 3.14Å; I129-I143 HydrophobicContact CD1-CD1 3.62Å; I129-I143 HydrophobicContact CG1-CD1 4.35Å |
| 130 | P | 56.6 | Low | 60.2 | Low | 108 Ų | 108 | 76.3 Ų | 76.3 | 70% | 0.701 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 110.6 | 173.3 | -8.1 | 25.5 | 0 | 0 | 0 | 108.5 | T128 T139 | T128-P130 VanDerWaalsContact O-CD 3.28Å; T128-P130 WeakPolarHBondContact O-CD 3.47Å; P130-T139 CarbonylContact C-O 3.57Å; P130-T139 WeakPolarHBondContact CA-O 3.41Å |
| 131 | G | 53 | Low | 58.6 | Low | 30 Ų | 30 | 79.6 Ų | 79.6 | 31% | 0.309 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 147.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | I129 A138 T139 | I129-G131 PolarHBondContact O-N 2.85Å; G131-A138 CarbonylContact O-C 3.6Å; G131-T139 PolarHBondContact N-O 2.78Å; G131-T139 WeakPolarHBondContact O-CA 3.43Å; G131-T139 PolarHBondContact O-N 2.8Å; G131-T139 PolarHBondContact O-OG1 3.44Å |
| 132 | I | 46.4 | Very low | 57.3 | Low | 140 Ų | 140 | 82.9 Ų | 82.9 | 72% | 0.718 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121 | 172.1 | -50.7 | 172.4 | 0 | 0 | 0 | 106.2 | ||
| 133 | S | 46.9 | Very low | 56.4 | Low | 34 Ų | 34 | 84.4 Ų | 84.4 | 24% | 0.238 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 160.2 | 175 | 62 | 0 | 0 | 0 | 0 | 111 | Y135 G136 N137 | S133-Y135 PolarHBondContact O-N 2.8Å; S133-G136 PolarHBondContact O-N 2.91Å; S133-N137 WeakPolarHBondContact CB-O 3.19Å; S133-N137 PolarHBondContact N-O 2.81Å; S133-N137 WeakPolarHBondContact OG-CA 3.24Å; S133-N137 WeakPolarHBondContact OG-CB 3.22Å; S133-N137 PolarHBondContact OG-N 3.15Å; S133-N137 VanDerWaalsContact OG-N 3.09Å; S133-N137 PolarHBondContact OG-O 2.82Å |
| 134 | A | 48.4 | Very low | 56.1 | Low | 106 Ų | 106 | 79.4 Ų | 79.4 | 88% | 0.876 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -14 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 135 | Y | 53.7 | Low | 56.4 | Low | 206 Ų | 206 | 78.8 Ų | 78.8 | 81% | 0.808 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 5.9 | 176.4 | -66.2 | -81.1 | 0 | 0 | 0 | 113.9 | S133 N137 | S133-Y135 PolarHBondContact O-N 2.8Å; Y135-N137 VanDerWaalsContact C-N 3.32Å; Y135-N137 PolarHBondContact O-N 2.9Å |
| 136 | G | 50 | Low | 56.8 | Low | 56 Ų | 56 | 75.2 Ų | 75.2 | 58% | 0.577 | 46% | 0.459 | S | S | * | . | S | Bend | trans | 82.6 | 1.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | S133 | S133-G136 PolarHBondContact O-N 2.91Š|
| 137 | N | 50.6 | Low | 57.6 | Low | 112 Ų | 112 | 74.6 Ų | 74.6 | 60% | 0.599 | 46% | 0.457 | S | S | * | . | trans | -85.3 | 136.9 | 177.8 | -64.2 | -17.1 | 0 | 0 | 0 | 111.1 | S133 Y135 T139 | S133-N137 WeakPolarHBondContact CB-O 3.19Å; S133-N137 PolarHBondContact N-O 2.81Å; S133-N137 WeakPolarHBondContact OG-CA 3.24Å; S133-N137 WeakPolarHBondContact OG-CB 3.22Å; S133-N137 PolarHBondContact OG-N 3.15Å; S133-N137 VanDerWaalsContact OG-N 3.09Å; S133-N137 PolarHBondContact OG-O 2.82Å; Y135-N137 VanDerWaalsContact C-N 3.32Å; Y135-N137 PolarHBondContact O-N 2.9Å; N137-T139 PolarHBondContact O-N 2.83Å | ||
| 138 | A | 49.5 | Very low | 58.8 | Low | 92 Ų | 92 | 72.8 Ų | 72.8 | 76% | 0.76 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 115.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G131 | G131-A138 CarbonylContact O-C 3.6Å |
| 139 | T | 52.5 | Low | 60 | Low | 70 Ų | 70 | 73.6 Ų | 73.6 | 43% | 0.429 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 145.6 | 169.9 | 53.8 | 0 | 0 | 0 | 0 | 109.6 | P130 G131 N137 | P130-T139 CarbonylContact C-O 3.57Å; P130-T139 WeakPolarHBondContact CA-O 3.41Å; G131-T139 PolarHBondContact N-O 2.78Å; G131-T139 WeakPolarHBondContact O-CA 3.43Å; G131-T139 PolarHBondContact O-N 2.8Å; G131-T139 PolarHBondContact O-OG1 3.44Å; N137-T139 PolarHBondContact O-N 2.83Å |
| 140 | S | 54.8 | Low | 61.5 | Low | 72 Ų | 72 | 69.1 Ų | 69.1 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 124.7 | 172.7 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | I129 | I129-S140 WeakPolarHBondContact O-CA 3.45Å |
| 141 | V | 52.6 | Low | 63 | Low | 85 Ų | 85 | 65.2 Ų | 65.2 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 126.4 | 171 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | T128 I129 I143 | T128-V141 WeakPolarHBondContact CA-O 3.49Å; I129-V141 PolarHBondContact N-O 2.87Å; I129-V141 PolarHBondContact O-N 2.91Å; I129-V141 VanDerWaalsContact O-N 3.14Å; V141-I143 HydrophobicContact CG1-CG1 4.17Å |
| 142 | Q | 52.9 | Low | 64.6 | Low | 104 Ų | 104 | 64.2 Ų | 64.2 | 49% | 0.486 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.3 | 177.7 | -48.6 | -166.3 | -27.6 | 0 | 0 | 109.5 | V126 S127 T128 L175 | V126-Q142 HydrophobicContact CG1-CB 4.17Å; S127-Q142 WeakPolarHBondContact O-CA 3.5Å; T128-Q142 HydrophobicContact CG2-CB 4.49Å; T128-Q142 HydrophobicContact CG2-CG 3.83Å; Q142-L175 HydrophobicContact CB-CD1 3.33Å; Q142-L175 PolarHBondContact O-N 3.07Å |
| 143 | I | 60.9 | Low | 66.5 | Low | 38 Ų | 38 | 59.9 Ų | 59.9 | 20% | 0.195 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.1 | 177.9 | -60.5 | 178 | 0 | 0 | 0 | 107.4 | V126 S127 I129 V141 N145 | V126-I143 CarbonylContact C-O 3.53Å; V126-I143 WeakPolarHBondContact CA-O 3.13Å; S127-I143 PolarHBondContact N-O 2.05Å; S127-I143 PolarHBondContact O-N 3.27Å; I129-I143 HydrophobicContact CD1-CD1 3.62Å; I129-I143 HydrophobicContact CG1-CD1 4.35Å; V141-I143 HydrophobicContact CG1-CG1 4.17Å; I143-N145 PolarHBondContact O-N 3.29Å |
| 144 | G | 65.1 | Low | 68 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 106.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | Y173 | G144-Y173 WeakPolarHBondContact CA-O 3.36Å; G144-Y173 PolarHBondContact N-O 2.5Å; G144-Y173 PolarHBondContact O-N 3.14Å |
| 145 | N | 74 | Confident | 69.6 | Low | 42 Ų | 42 | 63.4 Ų | 63.4 | 23% | 0.225 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 119.8 | 172.5 | -170.1 | -14.5 | 0 | 0 | 0 | 109.6 | V125 I143 S170 C171 | V125-N145 PolarHBondContact N-O 2.82Å; V125-N145 PolarHBondContact O-N 3.1Å; I143-N145 PolarHBondContact O-N 3.29Å; N145-S170 PolarHBondContact ND2-OG 3.08Å; N145-S170 PolarHBondContact OD1-OG 2.85Å; N145-C171 PolarHBondContact OD1-O 3.37Å |
| 146 | I | 79 | Confident | 70.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.7 | 170.3 | -60 | 173.8 | 0 | 0 | 0 | 106.7 | I65 L114 L117 L124 S170 C171 Y173 | I65-I146 HydrophobicContact CD1-CB 4.13Å; I65-I146 HydrophobicContact CD1-CD1 4.32Å; I65-I146 HydrophobicContact CD1-CG2 3.66Å; L114-I146 HydrophobicContact CD1-CD1 4.06Å; L114-I146 HydrophobicContact CG-CD1 4.18Å; L117-I146 HydrophobicContact CD1-CD1 3.72Å; L117-I146 HydrophobicContact CD1-CG1 4.45Å; L117-I146 HydrophobicContact CD1-CG2 3.94Å; L117-I146 HydrophobicContact CD2-CD1 3.82Å; L117-I146 HydrophobicContact CD2-CG1 3.98Å; L117-I146 HydrophobicContact CD2-CG2 4.28Å; L117-I146 HydrophobicContact CG-CD1 4.44Å; L117-I146 HydrophobicContact CG-CG2 4.5Å; L124-I146 HydrophobicContact CB-CG1 4.5Å; L124-I146 HydrophobicContact CD1-CD1 4.08Å; L124-I146 HydrophobicContact CD1-CG1 3.48Å; L124-I146 VanDerWaalsContact CD1-CG1 3.48Å; I146-S170 CarbonylContact O-C 3.6Å; I146-S170 WeakPolarHBondContact O-CA 3.26Å; I146-C171 PolarHBondContact N-O 2.77Å; I146-C171 PolarHBondContact O-N 3.4Å; I146-Y173 HydrophobicContact CD1-CD2 3.83Å; I146-Y173 HydrophobicContact CD1-CE2 3.76Å; I146-Y173 HydrophobicContact CG1-CD2 4.29Å; I146-Y173 HydrophobicContact CG1-CE2 4.4Å |
| 147 | S | 82.6 | Confident | 71.8 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 157.1 | 174.9 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | F169 | S147-F169 VanDerWaalsContact CA-O 3.27Å; S147-F169 WeakPolarHBondContact CA-O 3.45Å; S147-F169 WeakPolarHBondContact CB-O 3.44Å |
| 148 | G | 85.8 | Confident | 72.5 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | -175.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N87 F169 | N87-G148 VanDerWaalsContact OD1-CA 3.27Å; N87-G148 WeakPolarHBondContact OD1-CA 3.18Å; G148-F169 PolarHBondContact N-O 2.82Å; G148-F169 VanDerWaalsContact N-O 3.1Å; G148-F169 WeakPolarHBondContact O-CD1 3.23Å; G148-F169 PolarHBondContact O-N 2.99Å |
| 149 | Y | 86.4 | Confident | 73.1 | Confident | 92 Ų | 92 | 65.7 Ų | 65.7 | 36% | 0.361 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 157.3 | 175.9 | 59.6 | -88.8 | 0 | 0 | 0 | 111.8 | N87 D151 L166 Y167 | N87-Y149 HydrophobicContact CB-CE1 4.48Å; N87-Y149 PolarHBondContact N-O 2.79Å; N87-Y149 PolarHBondContact OD1-N 3.02Å; N87-Y149 PolarHBondContact OD1-O 3.15Å; Y149-D151 HydrophobicContact CD2-CB 3.95Å; Y149-D151 HydrophobicContact CE2-CB 4.16Å; Y149-D151 WeakPolarHBondContact CE2-OD2 3.1Å; Y149-L166 HydrophobicContact CD2-CD1 3.56Å; Y149-L166 HydrophobicContact CE2-CD1 4.43Å; Y149-L166 HydrophobicContact CG-CD1 3.85Å; Y149-Y167 CarbonylContact C-O 3.42Å; Y149-Y167 WeakPolarHBondContact CA-O 3.29Å; Y149-Y167 WeakPolarHBondContact CB-O 3.37Å |
| 150 | I | 90.1 | Very high | 74.2 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.6 | 168.1 | -60.6 | 157.1 | 0 | 0 | 0 | 106.2 | M67 I69 L84 A85 L86 F110 Y167 | M67-I150 HydrophobicContact CB-CD1 4.5Å; M67-I150 HydrophobicContact SD-CD1 3.82Å; I69-I150 HydrophobicContact CD1-CB 4.48Å; I69-I150 HydrophobicContact CD1-CD1 3.71Å; I69-I150 HydrophobicContact CD1-CG2 4.33Å; L84-I150 HydrophobicContact CB-CG2 3.95Å; L84-I150 HydrophobicContact CD2-CG2 4.03Å; A85-I150 VanDerWaalsContact O-CA 3.3Å; A85-I150 WeakPolarHBondContact O-CA 3.24Å; L86-I150 HydrophobicContact CD2-CD1 4.13Å; L86-I150 HydrophobicContact CD2-CG1 3.51Å; L86-I150 HydrophobicContact CG-CG1 4.26Å; F110-I150 HydrophobicContact CB-CD1 4.23Å; F110-I150 HydrophobicContact CD1-CD1 4.17Å; F110-I150 HydrophobicContact CD1-CG1 4.39Å; F110-I150 HydrophobicContact CD2-CD1 3.62Å; F110-I150 HydrophobicContact CE1-CD1 4.44Å; F110-I150 HydrophobicContact CE1-CG1 4.4Å; F110-I150 HydrophobicContact CE1-CG2 4.17Å; F110-I150 HydrophobicContact CE2-CD1 3.96Å; F110-I150 HydrophobicContact CE2-CG2 4.06Å; F110-I150 HydrophobicContact CG-CD1 3.74Å; F110-I150 HydrophobicContact CG-CG1 4.45Å; F110-I150 HydrophobicContact CZ-CD1 4.36Å; F110-I150 HydrophobicContact CZ-CG2 3.72Å; I150-Y167 HydrophobicContact CB-CD2 4.5Å; I150-Y167 PolarHBondContact N-O 3.34Å; I150-Y167 PolarHBondContact O-N 3.49Å |
| 151 | D | 87.6 | Confident | 75.2 | Confident | 26 Ų | 26 | 71.6 Ų | 71.6 | 14% | 0.139 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 170.7 | -176.7 | 58.4 | -30.1 | 0 | 0 | 0 | 111.9 | L84 A85 G88 H90 Y149 L165 L166 | L84-D151 WeakPolarHBondContact CA-O 3.05Å; A85-D151 PolarHBondContact N-O 3.2Å; A85-D151 PolarHBondContact O-N 3.26Å; G88-D151 VanDerWaalsContact CA-OD1 3.29Å; G88-D151 WeakPolarHBondContact CA-OD1 3.28Å; G88-D151 PolarHBondContact N-OD1 2.84Å; H90-D151 PolarHBondContact CE1-O 2.03Å; H90-D151 VanDerWaalsContact CE1-O 3.29Å; H90-D151 IonicContact CE1-OD1 2.79Å; H90-D151 IonicContact NE2-OD1 3.69Å; H90-D151 IonicContact NE2-OD2 3.76Å; Y149-D151 HydrophobicContact CD2-CB 3.95Å; Y149-D151 HydrophobicContact CE2-CB 4.16Å; Y149-D151 WeakPolarHBondContact CE2-OD2 3.1Å; D151-L165 VanDerWaalsContact CA-O 3.29Å; D151-L165 WeakPolarHBondContact CA-O 3.39Å; D151-L166 HydrophobicContact CB-CD1 3.99Å |
| 152 | T | 87 | Confident | 76.4 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 6% | 0.055 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -101 | 154.8 | 166.9 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | Y79 L84 H90 L165 | Y79-T152 HydrophobicContact CD1-CG2 3.53Å; Y79-T152 HydrophobicContact CD2-CG2 3.82Å; Y79-T152 HydrophobicContact CE1-CG2 3.59Å; Y79-T152 HydrophobicContact CE2-CG2 3.91Å; Y79-T152 HydrophobicContact CG-CG2 3.62Å; L84-T152 HydrophobicContact CD2-CG2 3.85Å; H90-T152 VanDerWaalsContact CE1-C 3.44Å; T152-L165 HydrophobicContact CG2-CB 3.77Å; T152-L165 HydrophobicContact CG2-CD1 4.15Å; T152-L165 HydrophobicContact CG2-CG 3.99Å; T152-L165 PolarHBondContact N-O 3.44Å; T152-L165 PolarHBondContact OG1-N 2.84Å; T152-L165 VanDerWaalsContact OG1-N 3.11Å |
| 153 | P | 85.5 | Confident | 77.6 | Confident | 48 Ų | 48 | 69 Ų | 69 | 31% | 0.312 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 147.7 | -175.8 | -14.3 | 29.6 | 0 | 0 | 0 | 111.2 | D83 | D83-P153 HydrophobicContact CB-CG 4.45Å; D83-P153 VanDerWaalsContact O-CD 3.28Å; D83-P153 WeakPolarHBondContact O-CD 3.31Å |
| 154 | D | 80.1 | Confident | 78.5 | Confident | 149 Ų | 149 | 70.3 Ų | 70.3 | 80% | 0.797 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 140.1 | 171.6 | -74.5 | -40.5 | 0 | 0 | 0 | 110.5 | ||
| 155 | P | 80.4 | Confident | 79.5 | Confident | 65 Ų | 65 | 71 Ų | 71 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -64 | 136 | -178.7 | 25.8 | -33.1 | 0 | 0 | 0 | 110.7 | T157 S160 | P155-T157 PolarHBondContact O-N 3.09Å; P155-S160 VanDerWaalsContact CB-CB 3.42Å |
| 156 | P | 74.7 | Confident | 80 | Confident | 136 Ų | 136 | 73.7 Ų | 73.7 | 88% | 0.883 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -71.4 | -10.8 | -179 | 29.7 | -35.8 | 0 | 0 | 0 | 113.1 | ||
| 157 | T | 76 | Confident | 80.2 | Confident | 86 Ų | 86 | 74.4 Ų | 74.4 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -118.1 | 151.8 | -176.9 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | P155 I159 | P155-T157 PolarHBondContact O-N 3.09Å; T157-I159 PolarHBondContact O-N 3.39Å; T157-I159 VanDerWaalsContact O-N 3.09Å; T157-I159 PolarHBondContact OG1-O 3.12Å |
| 158 | I | 65.1 | Low | 80.3 | Confident | 180 Ų | 180 | 79.4 Ų | 79.4 | 92% | 0.923 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -58 | -26.2 | 178.8 | -60.3 | 168.9 | 0 | 0 | 0 | 112 | ||
| 159 | I | 62.3 | Low | 80.3 | Confident | 112 Ų | 112 | 79.2 Ų | 79.2 | 57% | 0.574 | 43% | 0.429 | S | S | * | . | trans | -120.9 | 129.9 | 177 | -57.1 | 173.9 | 0 | 0 | 0 | 108.3 | T157 Y161 | T157-I159 PolarHBondContact O-N 3.39Å; T157-I159 VanDerWaalsContact O-N 3.09Å; T157-I159 PolarHBondContact OG1-O 3.12Å; I159-Y161 HydrophobicContact CG2-CE2 4.03Å | ||
| 160 | S | 76.2 | Confident | 80.1 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 37% | 0.371 | 43% | 0.433 | S | S | . | . | trans | -134.1 | 140.9 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | P155 L162 | P155-S160 VanDerWaalsContact CB-CB 3.42Å; S160-L162 PolarHBondContact OG-N 3.31Å | ||
| 161 | Y | 75.1 | Confident | 79.4 | Confident | 214 Ų | 214 | 78 Ų | 78 | 84% | 0.839 | 43% | 0.434 | S | S | * | . | trans | -100.9 | -2.5 | 176.1 | -63.1 | -81.6 | 0 | 0 | 0 | 112.5 | I159 | I159-Y161 HydrophobicContact CG2-CE2 4.03Š| ||
| 162 | L | 77.5 | Confident | 78.7 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -84.4 | 136.4 | 175.6 | -65.9 | 175.3 | 0 | 0 | 0 | 110.2 | Y79 S160 G164 | Y79-L162 HydrophobicContact CE1-CD1 4.47Å; Y79-L162 HydrophobicContact CE2-CB 4.41Å; S160-L162 PolarHBondContact OG-N 3.31Å; L162-G164 PolarHBondContact O-N 2.9Å |
| 163 | P | 79.3 | Confident | 77.5 | Confident | 47 Ų | 47 | 80.8 Ų | 80.8 | 31% | 0.305 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 122 | 179.1 | 31 | -33.1 | 0 | 0 | 0 | 110.8 | F50 Y79 L165 | F50-P163 HydrophobicContact CD1-CG 4.11Å; F50-P163 HydrophobicContact CE1-CG 3.69Å; Y79-P163 WeakPolarHBondContact CE2-O 3.4Å; Y79-P163 PolarHBondContact OH-O 2.02Å; P163-L165 PolarHBondContact O-N 3.19Å |
| 164 | G | 79.8 | Confident | 76.4 | Confident | 66 Ų | 66 | 81.4 Ų | 81.4 | 68% | 0.68 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 126.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L162 | L162-G164 PolarHBondContact O-N 2.9Š|
| 165 | L | 84.3 | Confident | 75.1 | Confident | 13 Ų | 13 | 76.2 Ų | 76.2 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -96 | 132.5 | 175.8 | -53.3 | -177.5 | 0 | 0 | 0 | 109.2 | P51 V74 Y79 D151 T152 P163 Y167 | P51-L165 HydrophobicContact CG-CD1 4.37Å; P51-L165 HydrophobicContact CG-CD2 3.96Å; V74-L165 HydrophobicContact CB-CD1 4.41Å; V74-L165 HydrophobicContact CG1-CD1 4.15Å; V74-L165 HydrophobicContact CG2-CD1 4.27Å; Y79-L165 HydrophobicContact CD2-CD1 3.74Å; Y79-L165 HydrophobicContact CD2-CG 3.96Å; Y79-L165 HydrophobicContact CE2-CD1 4.27Å; Y79-L165 HydrophobicContact CE2-CG 3.96Å; D151-L165 VanDerWaalsContact CA-O 3.29Å; D151-L165 WeakPolarHBondContact CA-O 3.39Å; T152-L165 HydrophobicContact CG2-CB 3.77Å; T152-L165 HydrophobicContact CG2-CD1 4.15Å; T152-L165 HydrophobicContact CG2-CG 3.99Å; T152-L165 PolarHBondContact N-O 3.44Å; T152-L165 PolarHBondContact OG1-N 2.84Å; T152-L165 VanDerWaalsContact OG1-N 3.11Å; P163-L165 PolarHBondContact O-N 3.19Å; L165-Y167 HydrophobicContact CB-CE2 3.89Å; L165-Y167 HydrophobicContact CD1-CE2 4.33Å |
| 166 | L | 84.4 | Confident | 73.7 | Confident | 99 Ų | 99 | 77.6 Ų | 77.6 | 52% | 0.518 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 111.9 | 177.5 | -178.1 | 66.7 | 0 | 0 | 0 | 110.3 | Y149 D151 K168 | Y149-L166 HydrophobicContact CD2-CD1 3.56Å; Y149-L166 HydrophobicContact CE2-CD1 4.43Å; Y149-L166 HydrophobicContact CG-CD1 3.85Å; D151-L166 HydrophobicContact CB-CD1 3.99Å; L166-K168 HydrophobicContact CG-CG 4.41Å |
| 167 | Y | 84.3 | Confident | 72.2 | Confident | 16 Ų | 16 | 76.8 Ų | 76.8 | 6% | 0.063 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.2 | 179.8 | -65.2 | -81.8 | 0 | 0 | 0 | 109.1 | P51 I56 I69 L84 Y149 I150 L165 | P51-Y167 HydrophobicContact CB-CE1 4.12Å; P51-Y167 VanDerWaalsContact CB-OH 3.23Å; P51-Y167 WeakPolarHBondContact CB-OH 3.44Å; P51-Y167 WeakPolarHBondContact CG-OH 3.3Å; I56-Y167 HydrophobicContact CB-CD1 4.09Å; I56-Y167 HydrophobicContact CD1-CD1 4.19Å; I56-Y167 HydrophobicContact CD1-CG 4.45Å; I56-Y167 HydrophobicContact CG2-CD1 4.42Å; I69-Y167 HydrophobicContact CD1-CD1 4.19Å; I69-Y167 HydrophobicContact CD1-CD2 3.88Å; I69-Y167 HydrophobicContact CD1-CE2 4.22Å; I69-Y167 HydrophobicContact CD1-CG 3.85Å; I69-Y167 HydrophobicContact CG1-CD1 4.4Å; I69-Y167 HydrophobicContact CG2-CE1 3.89Å; I69-Y167 HydrophobicContact CG2-CE2 4.24Å; L84-Y167 HydrophobicContact CD2-CD2 4.46Å; L84-Y167 HydrophobicContact CD2-CE2 4.15Å; Y149-Y167 CarbonylContact C-O 3.42Å; Y149-Y167 WeakPolarHBondContact CA-O 3.29Å; Y149-Y167 WeakPolarHBondContact CB-O 3.37Å; I150-Y167 HydrophobicContact CB-CD2 4.5Å; I150-Y167 PolarHBondContact N-O 3.34Å; I150-Y167 PolarHBondContact O-N 3.49Å; L165-Y167 HydrophobicContact CB-CE2 3.89Å; L165-Y167 HydrophobicContact CD1-CE2 4.33Å |
| 168 | K | 84.1 | Confident | 70.9 | Confident | 158 Ų | 158 | 75.3 Ų | 75.3 | 69% | 0.687 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 140.9 | 179.5 | -63.4 | -178.3 | -179 | 178.4 | 0 | 110.3 | L166 | L166-K168 HydrophobicContact CG-CG 4.41Å |
| 169 | F | 85.2 | Confident | 69.9 | Low | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.035 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 153.2 | 173.5 | 70 | -87.8 | 0 | 0 | 0 | 110.8 | V58 I65 M67 L86 I112 S147 G148 | V58-F169 HydrophobicContact CG1-CB 4.15Å; V58-F169 HydrophobicContact CG2-CB 3.87Å; I65-F169 HydrophobicContact CG2-CD2 4.47Å; M67-F169 HydrophobicContact CE-CE1 4.28Å; M67-F169 HydrophobicContact CE-CZ 4.35Å; M67-F169 HydrophobicContact SD-CB 4.12Å; M67-F169 HydrophobicContact SD-CD1 3.31Å; M67-F169 WeakPolarHBondContact SD-CD1 3.1Å; M67-F169 HydrophobicContact SD-CD2 4.01Å; M67-F169 HydrophobicContact SD-CE1 3.6Å; M67-F169 HydrophobicContact SD-CE2 4.27Å; M67-F169 HydrophobicContact SD-CG 3.53Å; M67-F169 VanDerWaalsContact SD-CG 3.53Å; M67-F169 HydrophobicContact SD-CZ 4.08Å; L86-F169 HydrophobicContact CD2-CE1 3.93Å; L86-F169 HydrophobicContact CD2-CZ 4.34Å; I112-F169 HydrophobicContact CD1-CE1 4.2Å; I112-F169 HydrophobicContact CD1-CE2 3.73Å; I112-F169 HydrophobicContact CD1-CZ 3.33Å; S147-F169 VanDerWaalsContact CA-O 3.27Å; S147-F169 WeakPolarHBondContact CA-O 3.45Å; S147-F169 WeakPolarHBondContact CB-O 3.44Å; G148-F169 PolarHBondContact N-O 2.82Å; G148-F169 VanDerWaalsContact N-O 3.1Å; G148-F169 WeakPolarHBondContact O-CD1 3.23Å; G148-F169 PolarHBondContact O-N 2.99Å |
| 170 | S | 82.6 | Confident | 68.8 | Low | 63 Ų | 63 | 73 Ų | 73 | 44% | 0.441 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 130.1 | 175.5 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | N145 I146 | N145-S170 PolarHBondContact ND2-OG 3.08Å; N145-S170 PolarHBondContact OD1-OG 2.85Å; I146-S170 CarbonylContact O-C 3.6Å; I146-S170 WeakPolarHBondContact O-CA 3.26Å |
| 171 | C | 76.4 | Confident | 67 | Low | 2 Ų | 2 | 78.1 Ų | 78.1 | 1% | 0.014 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.1 | 176.2 | -71.3 | 0 | 0 | 0 | 0 | 108 | C60 I65 N145 I146 Y173 | C60-C171 HydrophobicContact CB-CB 3.75Å; C60-C171 WeakPolarHBondContact CB-SG 3.36Å; C60-C171 VanDerWaalsContact SG-CA 3.56Å; C60-C171 WeakPolarHBondContact SG-CB 3.19Å; C60-C171 CovalentContact SG-SG 2.03Å; C60-C171 PolarHBondContact SG-SG 2.75Å; I65-C171 HydrophobicContact CD1-CB 4.1Å; I65-C171 HydrophobicContact CG1-CB 4.41Å; N145-C171 PolarHBondContact OD1-O 3.37Å; I146-C171 PolarHBondContact N-O 2.77Å; I146-C171 PolarHBondContact O-N 3.4Å; C171-Y173 HydrophobicContact CB-CD2 4.33Å; C171-Y173 HydrophobicContact CB-CE2 3.5Å |
| 172 | S | 72.4 | Confident | 65.1 | Low | 76 Ų | 76 | 72.2 Ų | 72.2 | 53% | 0.531 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 173 | Y | 62.5 | Low | 63.3 | Low | 19 Ų | 19 | 76.7 Ų | 76.7 | 8% | 0.075 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.8 | 177.9 | -61.2 | -82.9 | 0 | 0 | 0 | 109.5 | C60 G61 I65 G144 I146 C171 L175 | C60-Y173 WeakPolarHBondContact CA-OH 3.39Å; C60-Y173 HydrophobicContact CB-CE1 4.44Å; C60-Y173 WeakPolarHBondContact CB-OH 3.35Å; G61-Y173 PolarHBondContact O-OH 2.85Å; I65-Y173 HydrophobicContact CD1-CE2 4.34Å; I65-Y173 WeakPolarHBondContact CG1-OH 3.26Å; G144-Y173 WeakPolarHBondContact CA-O 3.36Å; G144-Y173 PolarHBondContact N-O 2.5Å; G144-Y173 PolarHBondContact O-N 3.14Å; I146-Y173 HydrophobicContact CD1-CD2 3.83Å; I146-Y173 HydrophobicContact CD1-CE2 3.76Å; I146-Y173 HydrophobicContact CG1-CD2 4.29Å; I146-Y173 HydrophobicContact CG1-CE2 4.4Å; C171-Y173 HydrophobicContact CB-CD2 4.33Å; C171-Y173 HydrophobicContact CB-CE2 3.5Å; Y173-L175 PolarHBondContact O-N 2.85Å |
| 174 | P | 61.7 | Low | 61.3 | Low | 60 Ų | 60 | 80.4 Ų | 80.4 | 39% | 0.39 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 133.1 | 165 | -14.8 | 28.1 | 0 | 0 | 0 | 108.5 | E176 Y177 | P174-E176 PolarHBondContact O-N 3.27Å; P174-Y177 HydrophobicContact CB-CD2 3.82Å; P174-Y177 HydrophobicContact CB-CE2 4.13Å; P174-Y177 HydrophobicContact CG-CD2 3.73Å; P174-Y177 HydrophobicContact CG-CE2 3.78Å; P174-Y177 PolarHBondContact O-N 2.85Å |
| 175 | L | 53.4 | Low | 59.1 | Low | 40 Ų | 40 | 81.7 Ų | 81.7 | 21% | 0.209 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -57.7 | -23.4 | -171.9 | -98.1 | 141.3 | 0 | 0 | 0 | 114.4 | V126 Q142 Y173 Y177 L178 V179 | V126-L175 HydrophobicContact CB-CD1 4.19Å; V126-L175 HydrophobicContact CG1-CD1 3.39Å; V126-L175 HydrophobicContact CG2-CD1 3.81Å; V126-L175 HydrophobicContact CG2-CD2 4.17Å; V126-L175 HydrophobicContact CG2-CG 4.42Å; Q142-L175 HydrophobicContact CB-CD1 3.33Å; Q142-L175 PolarHBondContact O-N 3.07Å; Y173-L175 PolarHBondContact O-N 2.85Å; L175-Y177 PolarHBondContact O-N 2.87Å; L175-L178 PolarHBondContact O-N 3.27Å; L175-L178 VanDerWaalsContact O-N 3.13Å; L175-V179 PolarHBondContact O-N 2.92Å |
| 176 | E | 50.3 | Low | 56.5 | Low | 94 Ų | 94 | 84.7 Ų | 84.7 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -60.1 | -27.7 | 173.6 | -171.9 | 170.3 | 178.6 | 0 | 0 | 114.1 | P174 R194 | P174-E176 PolarHBondContact O-N 3.27Å; E176-R194 VanDerWaalsContact CD-CD 3.43Å; E176-R194 VanDerWaalsContact CD-CZ 3.46Å; E176-R194 VanDerWaalsContact OE1-CD 3.24Å; E176-R194 WeakPolarHBondContact OE1-CD 3.12Å; E176-R194 IonicContact OE1-CZ 2.76Å; E176-R194 IonicContact OE1-NE 3.77Å; E176-R194 PolarHBondContact OE1-NE 2.93Å; E176-R194 VanDerWaalsContact OE1-NE 3.15Å; E176-R194 IonicContact OE1-NH1 3.49Å; E176-R194 PolarHBondContact OE1-NH1 2.76Å; E176-R194 IonicContact OE1-NH2 3.51Å; E176-R194 WeakPolarHBondContact OE2-CD 3.22Å; E176-R194 IonicContact OE2-CZ 2.87Å; E176-R194 IonicContact OE2-NE 2.78Å; E176-R194 PolarHBondContact OE2-NE 3.46Å; E176-R194 IonicContact OE2-NH1 3.71Å; E176-R194 PolarHBondContact OE2-NH1 2.92Å |
| 177 | Y | 43.2 | Very low | 54.2 | Low | 120 Ų | 120 | 84.3 Ų | 84.3 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -80.4 | -18.4 | 176.5 | -71.1 | -85.9 | 0 | 0 | 0 | 113.8 | P174 L175 | P174-Y177 HydrophobicContact CB-CD2 3.82Å; P174-Y177 HydrophobicContact CB-CE2 4.13Å; P174-Y177 HydrophobicContact CG-CD2 3.73Å; P174-Y177 HydrophobicContact CG-CE2 3.78Å; P174-Y177 PolarHBondContact O-N 2.85Å; L175-Y177 PolarHBondContact O-N 2.87Å |
| 178 | L | 49.1 | Very low | 51.7 | Low | 55 Ų | 55 | 85.5 Ų | 85.5 | 29% | 0.288 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -9.3 | 179.8 | -70.9 | 165.1 | 0 | 0 | 0 | 112.4 | L114 L124 L175 | L114-L178 HydrophobicContact CD2-CD2 3.55Å; L114-L178 HydrophobicContact CG-CD2 4.15Å; L124-L178 HydrophobicContact CD1-CD1 3.69Å; L124-L178 HydrophobicContact CD2-CD1 3.89Å; L124-L178 HydrophobicContact CG-CD1 4.46Å; L175-L178 PolarHBondContact O-N 3.27Å; L175-L178 VanDerWaalsContact O-N 3.13Å |
| 179 | V | 44.2 | Very low | 49.3 | Very low | 109 Ų | 109 | 80.7 Ų | 80.7 | 66% | 0.661 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -99 | 107.4 | 177 | -176.4 | 0 | 0 | 0 | 0 | 108 | L175 | L175-V179 PolarHBondContact O-N 2.92Š|
| 180 | N | 39.9 | Very low | 46.6 | Very low | 133 Ų | 133 | 81.8 Ų | 81.8 | 71% | 0.711 | 48% | 0.481 | S | S | * | . | trans | 120.4 | 115.8 | 158.4 | -145.3 | 9.2 | 0 | 0 | 0 | 114.9 | T182 | N180-T182 PolarHBondContact O-N 3.37Š| ||
| 181 | N | 37.4 | Very low | 44.2 | Very low | 161 Ų | 161 | 82.2 Ų | 82.2 | 86% | 0.861 | 48% | 0.477 | S | S | * | . | trans | -78.1 | 60.6 | -175.3 | -152.3 | 39.1 | 0 | 0 | 0 | 111.1 | ||||
| 182 | T | 35.7 | Very low | 42.1 | Very low | 90 Ų | 90 | 83.9 Ų | 83.9 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | trans | -120.5 | 113.9 | 175.3 | 48.9 | 0 | 0 | 0 | 0 | 109.8 | N180 L184 | N180-T182 PolarHBondContact O-N 3.37Å; T182-L184 PolarHBondContact O-N 2.83Å; T182-L184 VanDerWaalsContact O-N 3.11Å | ||
| 183 | Q | 39.2 | Very low | 40.1 | Very low | 181 Ų | 181 | 83.9 Ų | 83.9 | 85% | 0.846 | 49% | 0.486 | S | S | * | . | trans | -44.7 | 114.5 | 172.6 | -65.9 | 175.2 | -4.1 | 0 | 0 | 110.9 | ||||
| 184 | L | 36.3 | Very low | 38.8 | Very low | 125 Ų | 125 | 88.9 Ų | 88.9 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | trans | -124.6 | 81.4 | 164.4 | -83.9 | 162.1 | 0 | 0 | 0 | 107.9 | T182 S186 | T182-L184 PolarHBondContact O-N 2.83Å; T182-L184 VanDerWaalsContact O-N 3.11Å; L184-S186 PolarHBondContact O-N 3.2Å | ||
| 185 | A | 35 | Very low | 37.1 | Very low | 94 Ų | 94 | 92.3 Ų | 92.3 | 78% | 0.777 | 52% | 0.515 | S | S | * | . | trans | -71.7 | 105.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 186 | S | 30.1 | Very low | 36.1 | Very low | 76 Ų | 76 | 96.7 Ų | 96.7 | 53% | 0.531 | 54% | 0.539 | S | S | . | . | trans | -153.3 | 117.7 | 165.7 | -74.5 | 0 | 0 | 0 | 0 | 109.9 | L184 S188 | L184-S186 PolarHBondContact O-N 3.2Å; S186-S188 PolarHBondContact O-N 3.12Å | ||
| 187 | S | 35.7 | Very low | 35.1 | Very low | 91 Ų | 91 | 98.9 Ų | 98.9 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -67.5 | 73.6 | 168.6 | -49.9 | 0 | 0 | 0 | 0 | 110 | ||
| 188 | S | 32.1 | Very low | 34.9 | Very low | 41 Ų | 41 | 97.6 Ų | 97.6 | 29% | 0.287 | 58% | 0.577 | S | S | . | * | trans | -173.5 | 103.2 | 161.7 | 57.1 | 0 | 0 | 0 | 0 | 107 | S186 A190 L207 | S186-S188 PolarHBondContact O-N 3.12Å; S188-A190 PolarHBondContact O-N 3.33Å; S188-L207 WeakPolarHBondContact OG-CD2 3.4Å | ||
| 189 | A | 32 | Very low | 34.8 | Very low | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.8 | 91 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | I191 | A189-I191 VanDerWaalsContact C-N 3.33Å; A189-I191 HydrophobicContact CB-CG1 4.33Å; A189-I191 PolarHBondContact O-N 3.19Å |
| 190 | A | 30.1 | Very low | 35 | Very low | 30 Ų | 30 | 93.7 Ų | 93.7 | 25% | 0.248 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 95.2 | 159 | 0 | 0 | 0 | 0 | 0 | 106.1 | S188 S192 | S188-A190 PolarHBondContact O-N 3.33Å; A190-S192 PolarHBondContact O-N 3.02Å; A190-S192 VanDerWaalsContact O-N 3.15Å |
| 191 | I | 31.9 | Very low | 35.5 | Very low | 73 Ų | 73 | 87.9 Ų | 87.9 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 98.3 | 173.2 | -57.5 | 170.9 | 0 | 0 | 0 | 105.5 | A189 S355 | A189-I191 VanDerWaalsContact C-N 3.33Å; A189-I191 HydrophobicContact CB-CG1 4.33Å; A189-I191 PolarHBondContact O-N 3.19Å; I191-S355 PolarHBondContact N-O 3.3Å; I191-S355 PolarHBondContact O-N 2.83Å; I191-S355 VanDerWaalsContact O-N 3.08Å |
| 192 | S | 32.3 | Very low | 36.2 | Very low | 37 Ų | 37 | 83 Ų | 83 | 26% | 0.259 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119.9 | 164 | 59.4 | 0 | 0 | 0 | 0 | 108 | A190 R194 | A190-S192 PolarHBondContact O-N 3.02Å; A190-S192 VanDerWaalsContact O-N 3.15Å; S192-R194 PolarHBondContact O-N 2.77Å |
| 193 | V | 30.6 | Very low | 37.4 | Very low | 76 Ų | 76 | 79.8 Ų | 79.8 | 46% | 0.461 | 48% | 0.48 | S | S | . | . | trans | -77.7 | 111.9 | 169.7 | 178.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 194 | R | 34.1 | Very low | 38.8 | Very low | 123 Ų | 123 | 71.3 Ų | 71.3 | 46% | 0.464 | 44% | 0.44 | S | S | . | . | trans | -90 | 117.8 | 179.9 | -156.3 | -178.3 | -170.3 | -154.2 | 9.9 | 110.6 | E176 S192 S202 | E176-R194 VanDerWaalsContact CD-CD 3.43Å; E176-R194 VanDerWaalsContact CD-CZ 3.46Å; E176-R194 VanDerWaalsContact OE1-CD 3.24Å; E176-R194 WeakPolarHBondContact OE1-CD 3.12Å; E176-R194 IonicContact OE1-CZ 2.76Å; E176-R194 IonicContact OE1-NE 3.77Å; E176-R194 PolarHBondContact OE1-NE 2.93Å; E176-R194 VanDerWaalsContact OE1-NE 3.15Å; E176-R194 IonicContact OE1-NH1 3.49Å; E176-R194 PolarHBondContact OE1-NH1 2.76Å; E176-R194 IonicContact OE1-NH2 3.51Å; E176-R194 WeakPolarHBondContact OE2-CD 3.22Å; E176-R194 IonicContact OE2-CZ 2.87Å; E176-R194 IonicContact OE2-NE 2.78Å; E176-R194 PolarHBondContact OE2-NE 3.46Å; E176-R194 IonicContact OE2-NH1 3.71Å; E176-R194 PolarHBondContact OE2-NH1 2.92Å; S192-R194 PolarHBondContact O-N 2.77Å; R194-S202 PolarHBondContact NE-OG 3.44Å | ||
| 195 | E | 27.5 | Very low | 40.9 | Very low | 132 Ų | 132 | 68 Ų | 68 | 62% | 0.617 | 42% | 0.423 | S | S | * | . | trans | -96 | 128.1 | 162.3 | -72.6 | 179.6 | 169.8 | 0 | 0 | 108.9 | N197 T199 | E195-N197 VanDerWaalsContact C-N 3.28Å; E195-N197 PolarHBondContact O-N 3.16Å; E195-T199 WeakPolarHBondContact O-CG2 3.37Å; E195-T199 PolarHBondContact O-OG1 3.1Å; E195-T199 VanDerWaalsContact O-OG1 3.09Å | ||
| 196 | N | 31.7 | Very low | 43.4 | Very low | 132 Ų | 132 | 63.6 Ų | 63.6 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 73.1 | -179.5 | -82.8 | -6.1 | 0 | 0 | 0 | 112.3 | ||
| 197 | N | 28.9 | Very low | 46 | Very low | 140 Ų | 140 | 60.9 Ų | 60.9 | 75% | 0.749 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.8 | 54.6 | 163.7 | -93.3 | -17.9 | 0 | 0 | 0 | 109.5 | E195 T199 | E195-N197 VanDerWaalsContact C-N 3.28Å; E195-N197 PolarHBondContact O-N 3.16Å; N197-T199 HydrophobicContact CB-CG2 3.71Å; N197-T199 WeakPolarHBondContact O-CA 3.43Å; N197-T199 WeakPolarHBondContact O-CG2 3.47Å; N197-T199 PolarHBondContact O-N 3.02Å |
| 198 | G | 38.2 | Very low | 48.6 | Very low | 93 Ų | 93 | 57.2 Ų | 57.2 | 96% | 0.959 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.5 | 41.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 199 | T | 48.4 | Very low | 51.3 | Low | 33 Ų | 33 | 56.1 Ų | 56.1 | 20% | 0.202 | 33% | 0.329 | C | S | . | . | trans | -83.4 | 140.8 | -158.7 | 54.8 | 0 | 0 | 0 | 0 | 109.1 | E195 N197 V201 S202 | E195-T199 WeakPolarHBondContact O-CG2 3.37Å; E195-T199 PolarHBondContact O-OG1 3.1Å; E195-T199 VanDerWaalsContact O-OG1 3.09Å; N197-T199 HydrophobicContact CB-CG2 3.71Å; N197-T199 WeakPolarHBondContact O-CA 3.43Å; N197-T199 WeakPolarHBondContact O-CG2 3.47Å; N197-T199 PolarHBondContact O-N 3.02Å; T199-V201 PolarHBondContact O-N 3.07Å; T199-S202 PolarHBondContact O-N 3.26Å | ||
| 200 | F | 48.5 | Very low | 54 | Low | 50 Ų | 50 | 56.5 Ų | 56.5 | 22% | 0.219 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -56.5 | -7 | 175.4 | 64.7 | -93.9 | 0 | 0 | 0 | 113.7 | S202 T203 L204 L316 G350 A352 | F200-S202 PolarHBondContact O-N 2.79Å; F200-T203 WeakPolarHBondContact O-CB 3.44Å; F200-T203 PolarHBondContact O-N 3.47Å; F200-T203 PolarHBondContact O-OG1 2.87Å; F200-L204 HydrophobicContact CD2-CD1 3.64Å; F200-L204 HydrophobicContact CD2-CG 4.25Å; F200-L204 HydrophobicContact CE2-CD1 3.61Å; F200-L316 HydrophobicContact CB-CD1 3.32Å; F200-L316 HydrophobicContact CB-CG 4.31Å; F200-L316 HydrophobicContact CD1-CD1 4.16Å; F200-L316 HydrophobicContact CD2-CB 4.33Å; F200-L316 HydrophobicContact CD2-CD1 3.42Å; F200-L316 VanDerWaalsContact CD2-CD1 3.42Å; F200-L316 HydrophobicContact CD2-CD2 4.5Å; F200-L316 HydrophobicContact CD2-CG 3.43Å; F200-L316 VanDerWaalsContact CD2-CG 3.43Å; F200-L316 HydrophobicContact CE2-CB 4.45Å; F200-L316 HydrophobicContact CE2-CD1 4.3Å; F200-L316 HydrophobicContact CE2-CG 3.85Å; F200-L316 HydrophobicContact CG-CB 4.48Å; F200-L316 HydrophobicContact CG-CD1 3.34Å; F200-L316 HydrophobicContact CG-CG 3.82Å; F200-G350 VanDerWaalsContact CZ-O 3.26Å; F200-G350 WeakPolarHBondContact CZ-O 3.49Å; F200-A352 HydrophobicContact CE2-CB 4.21Å; F200-A352 HydrophobicContact CZ-CB 4.39Å |
| 201 | V | 50.6 | Low | 56.9 | Low | 10 Ų | 10 | 57.5 Ų | 57.5 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -57.1 | -36.4 | 178.4 | -170.2 | 0 | 0 | 0 | 0 | 112.3 | T199 T203 L204 A352 L354 | T199-V201 PolarHBondContact O-N 3.07Å; V201-T203 PolarHBondContact O-N 3.08Å; V201-L204 PolarHBondContact O-N 2.76Å; V201-A352 HydrophobicContact CB-CB 4.2Å; V201-A352 HydrophobicContact CG1-CB 3.97Å; V201-A352 HydrophobicContact CG2-CB 3.29Å; V201-L354 HydrophobicContact CG1-CD2 4.16Å |
| 202 | S | 50.4 | Low | 59.8 | Low | 59 Ų | 59 | 58 Ų | 58 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -63.1 | -13.9 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | R194 T199 F200 | R194-S202 PolarHBondContact NE-OG 3.44Å; T199-S202 PolarHBondContact O-N 3.26Å; F200-S202 PolarHBondContact O-N 2.79Å |
| 203 | T | 62.1 | Low | 62.6 | Low | 23 Ų | 23 | 59.4 Ų | 59.4 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -91.5 | -13.6 | 175.2 | 68.7 | 0 | 0 | 0 | 0 | 112.8 | F200 V201 A237 T238 L240 | F200-T203 WeakPolarHBondContact O-CB 3.44Å; F200-T203 PolarHBondContact O-N 3.47Å; F200-T203 PolarHBondContact O-OG1 2.87Å; V201-T203 PolarHBondContact O-N 3.08Å; T203-A237 CarbonylContact O-C 3.17Å; T203-A237 VanDerWaalsContact O-CA 3.29Å; T203-A237 WeakPolarHBondContact O-CA 3.48Å; T203-T238 WeakPolarHBondContact CB-O 3.32Å; T203-T238 WeakPolarHBondContact CG2-O 3.36Å; T203-T238 PolarHBondContact O-N 3.35Å; T203-T238 PolarHBondContact O-OG1 2.86Å; T203-L240 HydrophobicContact CG2-CD1 4.42Å; T203-L240 HydrophobicContact CG2-CD2 4.11Å; T203-L240 HydrophobicContact CG2-CG 3.93Å; T203-L240 WeakPolarHBondContact OG1-CD1 2.83Å; T203-L240 WeakPolarHBondContact OG1-CG 3.12Å |
| 204 | L | 69 | Low | 65.4 | Low | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 128.8 | -172.5 | -62.6 | 177.4 | 0 | 0 | 0 | 112 | F200 V201 V235 Q236 A237 V246 L316 L354 | F200-L204 HydrophobicContact CD2-CD1 3.64Å; F200-L204 HydrophobicContact CD2-CG 4.25Å; F200-L204 HydrophobicContact CE2-CD1 3.61Å; V201-L204 PolarHBondContact O-N 2.76Å; L204-V235 HydrophobicContact CD2-CG1 4.28Å; L204-Q236 CarbonylContact C-O 3.5Å; L204-Q236 WeakPolarHBondContact CA-O 3.32Å; L204-A237 HydrophobicContact CD2-CB 3.87Å; L204-V246 HydrophobicContact CD2-CG2 3.78Å; L204-L316 HydrophobicContact CD2-CD2 4.19Å; L204-L354 HydrophobicContact CB-CD1 3.74Å; L204-L354 HydrophobicContact CB-CD2 4.04Å; L204-L354 HydrophobicContact CB-CG 4.49Å; L204-L354 HydrophobicContact CD1-CD1 4.3Å |
| 205 | N | 79.3 | Confident | 67.9 | Low | 55 Ų | 55 | 57 Ų | 57 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.1 | 176.3 | -65.7 | -40.6 | 0 | 0 | 0 | 110.1 | L207 V235 Q236 | N205-L207 HydrophobicContact CB-CD1 4.43Å; N205-L207 HydrophobicContact CB-CG 4.27Å; N205-V235 CarbonylContact O-C 3.46Å; N205-V235 VanDerWaalsContact O-CA 3.29Å; N205-V235 WeakPolarHBondContact O-CA 3.1Å; N205-Q236 PolarHBondContact N-O 3.47Å; N205-Q236 PolarHBondContact O-N 3.02Å |
| 206 | L | 87.2 | Confident | 70.6 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 114.4 | 169.8 | 176.6 | 62.3 | 0 | 0 | 0 | 109.1 | V235 L310 C312 L354 A356 | L206-V235 HydrophobicContact CD1-CG2 3.68Å; L206-L310 HydrophobicContact CD1-CD2 4.16Å; L206-L310 HydrophobicContact CD2-CD2 4.05Å; L206-L310 HydrophobicContact CD2-CG 4.1Å; L206-L310 HydrophobicContact CG-CD2 4.41Å; L206-C312 HydrophobicContact CD2-CB 4.45Å; L206-L354 HydrophobicContact CB-CB 3.88Å; L206-L354 HydrophobicContact CB-CD1 4.44Å; L206-L354 HydrophobicContact CD2-CB 4.25Å; L206-A356 HydrophobicContact CB-CB 4.44Å; L206-A356 HydrophobicContact CD2-CB 3.74Å; L206-A356 HydrophobicContact CG-CB 3.73Å |
| 207 | L | 85.9 | Confident | 73.2 | Confident | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 150.6 | -173.9 | -62.1 | 173.6 | 0 | 0 | 0 | 111 | S188 N205 Y209 A233 A234 | S188-L207 WeakPolarHBondContact OG-CD2 3.4Å; N205-L207 HydrophobicContact CB-CD1 4.43Å; N205-L207 HydrophobicContact CB-CG 4.27Å; L207-Y209 HydrophobicContact CB-CE2 3.65Å; L207-Y209 WeakPolarHBondContact CD1-OH 3.3Å; L207-A233 WeakPolarHBondContact O-CA 3.4Å; L207-A234 PolarHBondContact N-O 2.58Å; L207-A234 PolarHBondContact O-N 3.17Å |
| 208 | L | 89.6 | Confident | 75.8 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 142.9 | 178.2 | -55.2 | 178.4 | 0 | 0 | 0 | 109.8 | Q217 L218 V231 F232 A233 L310 A356 I359 | L208-Q217 CarbonylContact O-C 3.56Å; L208-Q217 VanDerWaalsContact O-CA 3.26Å; L208-Q217 WeakPolarHBondContact O-CA 3.21Å; L208-L218 HydrophobicContact CB-CB 4.01Å; L208-L218 HydrophobicContact CB-CD2 4.34Å; L208-L218 PolarHBondContact O-N 3.05Å; L208-V231 HydrophobicContact CB-CG1 4.36Å; L208-V231 HydrophobicContact CD2-CG1 4.04Å; L208-F232 CarbonylContact C-O 3.48Å; L208-F232 WeakPolarHBondContact CA-O 3.41Å; L208-A233 HydrophobicContact CD2-CB 3.83Å; L208-L310 HydrophobicContact CD2-CD2 3.84Å; L208-A356 HydrophobicContact CD2-CB 4.5Å; L208-A356 HydrophobicContact CG-CB 4.37Å; L208-I359 HydrophobicContact CD1-CD1 3.79Å; L208-I359 HydrophobicContact CD1-CG1 3.73Å |
| 209 | Y | 89.6 | Confident | 77.9 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 7% | 0.071 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 152.1 | -173.9 | -62.9 | -94.1 | 0 | 0 | 0 | 110.9 | L207 Y214 Q216 Q217 F232 A234 | L207-Y209 HydrophobicContact CB-CE2 3.65Å; L207-Y209 WeakPolarHBondContact CD1-OH 3.3Å; Y209-Y214 WeakPolarHBondContact CD1-O 3.47Å; Y209-Y214 AromaticContact CD2-CD1 3.53Å; Y209-Y214 HydrophobicContact CD2-CD1 3.53Å; Y209-Y214 HydrophobicContact CD2-CE1 4.28Å; Y209-Y214 HydrophobicContact CD2-CG 4.4Å; Y209-Y214 VanDerWaalsContact CE1-C 3.49Å; Y209-Y214 WeakPolarHBondContact CE1-O 3.46Å; Y209-Y214 AromaticContact CE2-CD1 3.99Å; Y209-Y214 HydrophobicContact CE2-CD1 3.99Å; Y209-Y214 AromaticContact CG-CD1 3.92Å; Y209-Y214 HydrophobicContact CG-CD1 3.92Å; Y209-Y214 HydrophobicContact CG-CG 4.43Å; Y209-Q216 WeakPolarHBondContact CA-O 3.1Å; Y209-Q216 WeakPolarHBondContact CD1-O 3.21Å; Y209-Q217 HydrophobicContact CE1-CG 4.25Å; Y209-F232 PolarHBondContact N-O 3.43Å; Y209-F232 PolarHBondContact O-N 3.49Å; Y209-A234 HydrophobicContact CD2-CB 4.39Å; Y209-A234 HydrophobicContact CE2-CB 3.86Å |
| 210 | N | 87.8 | Confident | 79.5 | Confident | 65 Ų | 65 | 51 Ų | 51 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -76.2 | -28.6 | -178.4 | 63.6 | -8.5 | 0 | 0 | 0 | 113.3 | Q216 L218 | N210-Q216 PolarHBondContact N-O 3.45Å; N210-Q216 PolarHBondContact ND2-OE1 3.34Å; N210-Q216 PolarHBondContact OD1-O 3.15Å; N210-L218 HydrophobicContact CB-CD1 4.35Å |
| 211 | D | 91.9 | Very high | 80.8 | Confident | 50 Ų | 50 | 51 Ų | 51 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -140.6 | 173.8 | -171.3 | 70.5 | 20.2 | 0 | 0 | 0 | 113.2 | T213 Y214 F232 | D211-T213 VanDerWaalsContact CG-OG1 3.22Å; D211-T213 PolarHBondContact O-N 3.13Å; D211-T213 WeakPolarHBondContact OD1-CA 3.36Å; D211-T213 VanDerWaalsContact OD1-CB 3.3Å; D211-T213 WeakPolarHBondContact OD1-CB 3.24Å; D211-T213 PolarHBondContact OD1-N 3.27Å; D211-T213 PolarHBondContact OD1-OG1 2.93Å; D211-T213 PolarHBondContact OD2-OG1 2.99Å; D211-T213 VanDerWaalsContact OD2-OG1 3.13Å; D211-Y214 PolarHBondContact O-N 3.38Å; D211-Y214 PolarHBondContact OD1-N 2.8Å; D211-F232 VanDerWaalsContact C-CG 3.43Å; D211-F232 VanDerWaalsContact CA-CD2 3.44Å; D211-F232 WeakPolarHBondContact O-CB 3.49Å; D211-F232 WeakPolarHBondContact O-CD2 3.46Å; D211-F232 WeakPolarHBondContact O-CG 3.27Å |
| 212 | S | 92.1 | Very high | 82 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -5.1 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 114 | Y214 | S212-Y214 WeakPolarHBondContact O-CD2 3.39Å; S212-Y214 WeakPolarHBondContact O-CE2 3.47Å |
| 213 | T | 91.1 | Very high | 83.2 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -18.8 | 178 | 79.1 | 0 | 0 | 0 | 0 | 111.8 | D211 N215 | D211-T213 VanDerWaalsContact CG-OG1 3.22Å; D211-T213 PolarHBondContact O-N 3.13Å; D211-T213 WeakPolarHBondContact OD1-CA 3.36Å; D211-T213 VanDerWaalsContact OD1-CB 3.3Å; D211-T213 WeakPolarHBondContact OD1-CB 3.24Å; D211-T213 PolarHBondContact OD1-N 3.27Å; D211-T213 PolarHBondContact OD1-OG1 2.93Å; D211-T213 PolarHBondContact OD2-OG1 2.99Å; D211-T213 VanDerWaalsContact OD2-OG1 3.13Å; T213-N215 WeakPolarHBondContact CB-ND2 3.38Å; T213-N215 PolarHBondContact O-N 2.94Å; T213-N215 PolarHBondContact OG1-ND2 3.24Å |
| 214 | Y | 89.2 | Confident | 84.3 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 7% | 0.071 | 31% | 0.31 | C | S | . | . | trans | 55.8 | 33.1 | -179 | -62.6 | -95.7 | 0 | 0 | 0 | 112.9 | Y209 D211 S212 F232 A233 A234 I280 R289 F290 | Y209-Y214 WeakPolarHBondContact CD1-O 3.47Å; Y209-Y214 AromaticContact CD2-CD1 3.53Å; Y209-Y214 HydrophobicContact CD2-CD1 3.53Å; Y209-Y214 HydrophobicContact CD2-CE1 4.28Å; Y209-Y214 HydrophobicContact CD2-CG 4.4Å; Y209-Y214 VanDerWaalsContact CE1-C 3.49Å; Y209-Y214 WeakPolarHBondContact CE1-O 3.46Å; Y209-Y214 AromaticContact CE2-CD1 3.99Å; Y209-Y214 HydrophobicContact CE2-CD1 3.99Å; Y209-Y214 AromaticContact CG-CD1 3.92Å; Y209-Y214 HydrophobicContact CG-CD1 3.92Å; Y209-Y214 HydrophobicContact CG-CG 4.43Å; D211-Y214 PolarHBondContact O-N 3.38Å; D211-Y214 PolarHBondContact OD1-N 2.8Å; S212-Y214 WeakPolarHBondContact O-CD2 3.39Å; S212-Y214 WeakPolarHBondContact O-CE2 3.47Å; Y214-F232 HydrophobicContact CD1-CB 4.4Å; Y214-F232 HydrophobicContact CE1-CB 3.79Å; Y214-F232 HydrophobicContact CE2-CD1 4.31Å; Y214-A233 WeakPolarHBondContact CE1-O 3.18Å; Y214-A234 HydrophobicContact CD1-CB 3.74Å; Y214-A234 HydrophobicContact CE1-CB 3.89Å; Y214-I280 WeakPolarHBondContact OH-CD1 3.39Å; Y214-R289 HydrophobicContact CD1-CG 4.23Å; Y214-R289 HydrophobicContact CD2-CG 4.41Å; Y214-R289 HydrophobicContact CE1-CB 4.13Å; Y214-R289 HydrophobicContact CE1-CG 3.97Å; Y214-R289 HydrophobicContact CE2-CB 4.19Å; Y214-R289 HydrophobicContact CE2-CG 4.17Å; Y214-R289 HydrophobicContact CG-CG 4.46Å; Y214-F290 PolarHBondContact OH-O 2.03Å | ||
| 215 | N | 86.6 | Confident | 85.2 | Confident | 129 Ų | 129 | 57 Ų | 57 | 69% | 0.69 | 31% | 0.313 | S | S | * | . | trans | -98.6 | -40.3 | -179.7 | -70.5 | -37 | 0 | 0 | 0 | 112.5 | T213 | T213-N215 WeakPolarHBondContact CB-ND2 3.38Å; T213-N215 PolarHBondContact O-N 2.94Å; T213-N215 PolarHBondContact OG1-ND2 3.24Å | ||
| 216 | Q | 85.3 | Confident | 85.8 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -109.4 | 123.8 | -177.1 | -69.1 | -178.5 | -10.8 | 0 | 0 | 110.7 | Y209 N210 | Y209-Q216 WeakPolarHBondContact CA-O 3.1Å; Y209-Q216 WeakPolarHBondContact CD1-O 3.21Å; N210-Q216 PolarHBondContact N-O 3.45Å; N210-Q216 PolarHBondContact ND2-OE1 3.34Å; N210-Q216 PolarHBondContact OD1-O 3.15Å |
| 217 | Q | 86.2 | Confident | 85.9 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -65.5 | 143.4 | 176.9 | -66.9 | -176.6 | 22.4 | 0 | 0 | 110.8 | L208 Y209 I219 | L208-Q217 CarbonylContact O-C 3.56Å; L208-Q217 VanDerWaalsContact O-CA 3.26Å; L208-Q217 WeakPolarHBondContact O-CA 3.21Å; Y209-Q217 HydrophobicContact CE1-CG 4.25Å; Q217-I219 PolarHBondContact O-N 2.68Å |
| 218 | L | 83 | Confident | 86.1 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | trans | -73.6 | 115.4 | 179.7 | 179.2 | 63.2 | 0 | 0 | 0 | 110.3 | L208 N210 I220 L225 V231 | L208-L218 HydrophobicContact CB-CB 4.01Å; L208-L218 HydrophobicContact CB-CD2 4.34Å; L208-L218 PolarHBondContact O-N 3.05Å; N210-L218 HydrophobicContact CB-CD1 4.35Å; L218-I220 HydrophobicContact CD2-CG1 4.44Å; L218-I220 HydrophobicContact CG-CG1 4.36Å; L218-L225 HydrophobicContact CD2-CD1 4.1Å; L218-V231 HydrophobicContact CD2-CB 4.36Å; L218-V231 HydrophobicContact CD2-CG1 3.8Å; L218-V231 HydrophobicContact CD2-CG2 3.69Å | ||
| 219 | I | 81.7 | Confident | 86.2 | Confident | 131 Ų | 131 | 66.8 Ų | 66.8 | 67% | 0.672 | 36% | 0.361 | S | S | * | . | trans | -91.8 | 114.2 | 168.4 | -57.6 | 174.2 | 0 | 0 | 0 | 107.8 | Q217 | Q217-I219 PolarHBondContact O-N 2.68Š| ||
| 220 | I | 82.8 | Confident | 86.3 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | trans | -76.2 | 122.4 | -179 | -63.4 | 156.9 | 0 | 0 | 0 | 108.8 | L218 P358 I359 I360 | L218-I220 HydrophobicContact CD2-CG1 4.44Å; L218-I220 HydrophobicContact CG-CG1 4.36Å; I220-P358 WeakPolarHBondContact CD1-O 3.5Å; I220-I359 HydrophobicContact CD1-CB 4.44Å; I220-I359 HydrophobicContact CD1-CG1 4.3Å; I220-I360 HydrophobicContact CG2-CB 4.07Å; I220-I360 HydrophobicContact CG2-CG1 4.45Å | ||
| 221 | P | 75.4 | Confident | 86.6 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 32% | 0.318 | 36% | 0.361 | S | S | . | . | trans | -68.7 | 150.6 | 180 | 29.7 | -35.2 | 0 | 0 | 0 | 110.9 | I223 G224 L225 | P221-I223 HydrophobicContact CB-CG1 3.99Å; P221-I223 HydrophobicContact CG-CG1 4.36Å; P221-I223 PolarHBondContact O-N 2.83Å; P221-I223 VanDerWaalsContact O-N 3.16Å; P221-G224 WeakPolarHBondContact O-CA 3.46Å; P221-G224 PolarHBondContact O-N 3.02Å; P221-L225 HydrophobicContact CG-CD2 4.16Å | ||
| 222 | S | 75.5 | Confident | 86.8 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 76% | 0.755 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.2 | 179.2 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | G224 | S222-G224 VanDerWaalsContact C-N 3.26Å; S222-G224 PolarHBondContact O-N 2.81Å |
| 223 | I | 76.5 | Confident | 86.9 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 51% | 0.508 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -2.2 | 174.6 | 56.4 | 174.6 | 0 | 0 | 0 | 113.6 | P221 R362 | P221-I223 HydrophobicContact CB-CG1 3.99Å; P221-I223 HydrophobicContact CG-CG1 4.36Å; P221-I223 PolarHBondContact O-N 2.83Å; P221-I223 VanDerWaalsContact O-N 3.16Å; I223-R362 WeakPolarHBondContact O-CB 3.31Å; I223-R362 WeakPolarHBondContact O-CD 3.37Å |
| 224 | G | 84.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | 75.6 | 160.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | P221 S222 I360 R362 | P221-G224 WeakPolarHBondContact O-CA 3.46Å; P221-G224 PolarHBondContact O-N 3.02Å; S222-G224 VanDerWaalsContact C-N 3.26Å; S222-G224 PolarHBondContact O-N 2.81Å; G224-I360 CarbonylContact C-O 3.43Å; G224-I360 VanDerWaalsContact CA-O 3.24Å; G224-I360 WeakPolarHBondContact CA-O 3.42Å; G224-R362 PolarHBondContact O-NH1 3.03Å | ||
| 225 | L | 87.5 | Confident | 86.9 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.063 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 139.5 | 174.4 | -62.3 | 173.5 | 0 | 0 | 0 | 110.5 | L218 P221 V231 V294 I359 I360 T361 R362 | L218-L225 HydrophobicContact CD2-CD1 4.1Å; P221-L225 HydrophobicContact CG-CD2 4.16Å; L225-V231 HydrophobicContact CD1-CG2 3.9Å; L225-V294 HydrophobicContact CB-CG2 4.16Å; L225-V294 HydrophobicContact CD1-CG1 4.21Å; L225-I359 HydrophobicContact CD1-CG2 3.87Å; L225-I360 PolarHBondContact N-O 2.96Å; L225-T361 CarbonylContact O-C 3.6Å; L225-T361 WeakPolarHBondContact O-CA 3.35Å; L225-R362 PolarHBondContact O-N 2.99Å |
| 226 | P | 91.6 | Very high | 86.8 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 24% | 0.24 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 150.4 | 171.8 | 17.1 | -17.7 | 0 | 0 | 0 | 111 | T229 V294 D364 | P226-T229 VanDerWaalsContact CD-OG1 3.24Å; P226-T229 WeakPolarHBondContact CD-OG1 3.16Å; P226-T229 WeakPolarHBondContact CG-OG1 3.45Å; P226-T229 VanDerWaalsContact O-CB 3.28Å; P226-T229 WeakPolarHBondContact O-CB 3.01Å; P226-T229 PolarHBondContact O-N 2.79Å; P226-T229 PolarHBondContact O-OG1 2.87Å; P226-V294 WeakPolarHBondContact O-CG2 3.37Å; P226-D364 WeakPolarHBondContact CB-OD2 3.14Å |
| 227 | L | 89.8 | Confident | 86.3 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 32% | 0.319 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 149.5 | 175.9 | -60.8 | -179.5 | 0 | 0 | 0 | 110.3 | T229 R296 R362 | L227-T229 PolarHBondContact O-N 2.88Å; L227-R296 HydrophobicContact CD2-CB 4.17Å; L227-R362 WeakPolarHBondContact CG-O 3.28Å |
| 228 | K | 89.7 | Confident | 85.7 | Confident | 158 Ų | 158 | 47.4 Ų | 47.4 | 69% | 0.687 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 6.3 | -174.7 | -54.1 | -174.4 | 174.8 | -175.1 | 0 | 115.5 | K230 E293 V294 | K228-K230 PolarHBondContact O-N 2.89Å; K228-E293 WeakPolarHBondContact CB-OE2 3.21Å; K228-V294 PolarHBondContact N-O 3.12Å |
| 229 | T | 91.6 | Very high | 84.7 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | trans | -63.1 | 126.8 | 169.3 | -56.7 | 0 | 0 | 0 | 0 | 109.2 | P226 L227 V231 V294 | P226-T229 VanDerWaalsContact CD-OG1 3.24Å; P226-T229 WeakPolarHBondContact CD-OG1 3.16Å; P226-T229 WeakPolarHBondContact CG-OG1 3.45Å; P226-T229 VanDerWaalsContact O-CB 3.28Å; P226-T229 WeakPolarHBondContact O-CB 3.01Å; P226-T229 PolarHBondContact O-N 2.79Å; P226-T229 PolarHBondContact O-OG1 2.87Å; L227-T229 PolarHBondContact O-N 2.88Å; T229-V231 PolarHBondContact O-N 3.3Å; T229-V294 WeakPolarHBondContact O-CG2 3.23Å; T229-V294 PolarHBondContact O-N 3.24Å | ||
| 230 | K | 93.6 | Very high | 83.7 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 40% | 0.404 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.9 | 177.4 | -164.8 | 167 | -170.4 | 166.4 | 0 | 110.1 | K228 F232 S291 | K228-K230 PolarHBondContact O-N 2.89Å; K230-F232 HydrophobicContact CB-CE2 4.45Å; K230-F232 HydrophobicContact CD-CE1 4.37Å; K230-F232 HydrophobicContact CD-CE2 4.47Å; K230-F232 HydrophobicContact CD-CZ 3.89Å; K230-F232 HydrophobicContact CG-CE2 4.15Å; K230-F232 HydrophobicContact CG-CZ 4.03Å; K230-S291 WeakPolarHBondContact CE-OG 3.47Å |
| 231 | V | 93.5 | Very high | 82.7 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.3 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 108.9 | L208 L218 L225 T229 S291 F292 V294 | L208-V231 HydrophobicContact CB-CG1 4.36Å; L208-V231 HydrophobicContact CD2-CG1 4.04Å; L218-V231 HydrophobicContact CD2-CB 4.36Å; L218-V231 HydrophobicContact CD2-CG1 3.8Å; L218-V231 HydrophobicContact CD2-CG2 3.69Å; L225-V231 HydrophobicContact CD1-CG2 3.9Å; T229-V231 PolarHBondContact O-N 3.3Å; V231-S291 CarbonylContact O-C 3.48Å; V231-S291 WeakPolarHBondContact O-CA 3.38Å; V231-F292 HydrophobicContact CB-CE1 4.32Å; V231-F292 HydrophobicContact CB-CZ 4.32Å; V231-F292 HydrophobicContact CG1-CE1 4.13Å; V231-F292 HydrophobicContact CG1-CZ 4.25Å; V231-F292 PolarHBondContact N-O 3.22Å; V231-F292 PolarHBondContact O-N 3.02Å; V231-V294 HydrophobicContact CB-CG1 4.19Å; V231-V294 HydrophobicContact CG2-CG1 3.41Å; V231-V294 VanDerWaalsContact CG2-CG1 3.41Å |
| 232 | F | 95.3 | Very high | 82.4 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 11% | 0.114 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.4 | -180 | -63.3 | -92.1 | 0 | 0 | 0 | 108.7 | L208 Y209 D211 Y214 K230 | L208-F232 CarbonylContact C-O 3.48Å; L208-F232 WeakPolarHBondContact CA-O 3.41Å; Y209-F232 PolarHBondContact N-O 3.43Å; Y209-F232 PolarHBondContact O-N 3.49Å; D211-F232 VanDerWaalsContact C-CG 3.43Å; D211-F232 VanDerWaalsContact CA-CD2 3.44Å; D211-F232 WeakPolarHBondContact O-CB 3.49Å; D211-F232 WeakPolarHBondContact O-CD2 3.46Å; D211-F232 WeakPolarHBondContact O-CG 3.27Å; Y214-F232 HydrophobicContact CD1-CB 4.4Å; Y214-F232 HydrophobicContact CE1-CB 3.79Å; Y214-F232 HydrophobicContact CE2-CD1 4.31Å; K230-F232 HydrophobicContact CB-CE2 4.45Å; K230-F232 HydrophobicContact CD-CE1 4.37Å; K230-F232 HydrophobicContact CD-CE2 4.47Å; K230-F232 HydrophobicContact CD-CZ 3.89Å; K230-F232 HydrophobicContact CG-CE2 4.15Å; K230-F232 HydrophobicContact CG-CZ 4.03Å |
| 233 | A | 94 | Very high | 82 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 138.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L207 L208 Y214 F290 F292 L310 | L207-A233 WeakPolarHBondContact O-CA 3.4Å; L208-A233 HydrophobicContact CD2-CB 3.83Å; Y214-A233 WeakPolarHBondContact CE1-O 3.18Å; A233-F290 HydrophobicContact CB-CD1 4.14Å; A233-F290 HydrophobicContact CB-CD2 4.3Å; A233-F290 HydrophobicContact CB-CE1 3.65Å; A233-F290 HydrophobicContact CB-CE2 3.84Å; A233-F290 HydrophobicContact CB-CG 4.45Å; A233-F290 HydrophobicContact CB-CZ 3.51Å; A233-F290 PolarHBondContact N-O 2.76Å; A233-F290 PolarHBondContact O-N 3.37Å; A233-F292 HydrophobicContact CB-CE1 4.31Å; A233-L310 HydrophobicContact CB-CD2 3.83Å |
| 234 | A | 92.4 | Very high | 81.8 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L207 Y209 Y214 G288 R289 | L207-A234 PolarHBondContact N-O 2.58Å; L207-A234 PolarHBondContact O-N 3.17Å; Y209-A234 HydrophobicContact CD2-CB 4.39Å; Y209-A234 HydrophobicContact CE2-CB 3.86Å; Y214-A234 HydrophobicContact CD1-CB 3.74Å; Y214-A234 HydrophobicContact CE1-CB 3.89Å; A234-G288 CarbonylContact C-O 3.58Å; A234-G288 WeakPolarHBondContact CA-O 3.03Å; A234-R289 HydrophobicContact CB-CG 4.02Å |
| 235 | V | 87.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 120.4 | 164.4 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | L204 N205 L206 V246 M248 R287 G288 T314 L354 | L204-V235 HydrophobicContact CD2-CG1 4.28Å; N205-V235 CarbonylContact O-C 3.46Å; N205-V235 VanDerWaalsContact O-CA 3.29Å; N205-V235 WeakPolarHBondContact O-CA 3.1Å; L206-V235 HydrophobicContact CD1-CG2 3.68Å; V235-V246 HydrophobicContact CB-CG1 3.96Å; V235-V246 HydrophobicContact CG1-CG1 3.61Å; V235-M248 HydrophobicContact CB-SD 4.44Å; V235-M248 HydrophobicContact CG2-CG 4.2Å; V235-M248 HydrophobicContact CG2-SD 4.04Å; V235-R287 CarbonylContact O-C 3.46Å; V235-R287 WeakPolarHBondContact O-CA 3.47Å; V235-G288 PolarHBondContact N-O 3.13Å; V235-G288 PolarHBondContact O-N 2.78Å; V235-T314 HydrophobicContact CG1-CG2 4.18Å; V235-T314 HydrophobicContact CG2-CG2 3.98Å; V235-L354 HydrophobicContact CB-CD1 4.47Å; V235-L354 HydrophobicContact CG1-CD1 3.48Å; V235-L354 VanDerWaalsContact CG1-CD1 3.48Å; V235-L354 HydrophobicContact CG2-CD1 4.19Å |
| 236 | Q | 85 | Confident | 81.4 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 20% | 0.201 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.1 | 179.5 | 177.9 | 172.8 | 14.9 | 0 | 0 | 110.8 | L204 N205 T238 R287 | L204-Q236 CarbonylContact C-O 3.5Å; L204-Q236 WeakPolarHBondContact CA-O 3.32Å; N205-Q236 PolarHBondContact N-O 3.47Å; N205-Q236 PolarHBondContact O-N 3.02Å; Q236-T238 HydrophobicContact CG-CG2 4.39Å; Q236-R287 HydrophobicContact CB-CG 4.33Å; Q236-R287 HydrophobicContact CG-CG 4.07Å |
| 237 | A | 74.7 | Confident | 80.9 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 138.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | T203 L204 L240 V246 Q286 | T203-A237 CarbonylContact O-C 3.17Å; T203-A237 VanDerWaalsContact O-CA 3.29Å; T203-A237 WeakPolarHBondContact O-CA 3.48Å; L204-A237 HydrophobicContact CD2-CB 3.87Å; A237-L240 HydrophobicContact CB-CD1 3.44Å; A237-L240 VanDerWaalsContact CB-CD1 3.44Å; A237-L240 HydrophobicContact CB-CG 4.46Å; A237-V246 HydrophobicContact CB-CG2 3.71Å; A237-Q286 HydrophobicContact CB-CB 3.98Å; A237-Q286 HydrophobicContact CB-CG 4.38Å; A237-Q286 WeakPolarHBondContact CB-O 3.5Å; A237-Q286 PolarHBondContact N-O 2.86Å |
| 238 | T | 72.8 | Confident | 80.9 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | trans | -127 | 139.7 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 109.1 | T203 Q236 L240 | T203-T238 WeakPolarHBondContact CB-O 3.32Å; T203-T238 WeakPolarHBondContact CG2-O 3.36Å; T203-T238 PolarHBondContact O-N 3.35Å; T203-T238 PolarHBondContact O-OG1 2.86Å; Q236-T238 HydrophobicContact CG-CG2 4.39Å; T238-L240 VanDerWaalsContact C-N 3.34Å; T238-L240 PolarHBondContact O-N 2.89Å | ||
| 239 | N | 62.8 | Low | 80.6 | Confident | 166 Ų | 166 | 45.7 Ų | 45.7 | 89% | 0.888 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 60.1 | 39.9 | 177 | -154.9 | 8 | 0 | 0 | 0 | 114.1 | ||
| 240 | L | 61.8 | Low | 80.4 | Confident | 40 Ų | 40 | 44.1 Ų | 44.1 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | trans | -117.2 | 147.1 | 173.1 | -79.1 | 169.1 | 0 | 0 | 0 | 111 | T203 A237 T238 Q286 L316 | T203-L240 HydrophobicContact CG2-CD1 4.42Å; T203-L240 HydrophobicContact CG2-CD2 4.11Å; T203-L240 HydrophobicContact CG2-CG 3.93Å; T203-L240 WeakPolarHBondContact OG1-CD1 2.83Å; T203-L240 WeakPolarHBondContact OG1-CG 3.12Å; A237-L240 HydrophobicContact CB-CD1 3.44Å; A237-L240 VanDerWaalsContact CB-CD1 3.44Å; A237-L240 HydrophobicContact CB-CG 4.46Å; T238-L240 VanDerWaalsContact C-N 3.34Å; T238-L240 PolarHBondContact O-N 2.89Å; L240-Q286 PolarHBondContact O-NE2 2.89Å; L240-L316 HydrophobicContact CD1-CD1 3.61Å; L240-L316 HydrophobicContact CD1-CD2 4Å; L240-L316 HydrophobicContact CD1-CG 4.47Å; L240-L316 HydrophobicContact CD2-CD1 4.11Å | ||
| 241 | D | 61.8 | Low | 80.2 | Confident | 91 Ų | 91 | 39.7 Ų | 39.7 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | trans | -58 | 140.9 | 170 | -80.6 | -5.1 | 0 | 0 | 0 | 110.8 | R243 W244 Q286 | D241-R243 PolarHBondContact O-N 2.91Å; D241-R243 IonicContact OD2-CZ 3.54Å; D241-R243 IonicContact OD2-NE 3.69Å; D241-R243 IonicContact OD2-NH2 3.15Å; D241-R243 PolarHBondContact OD2-NH2 2.87Å; D241-W244 PolarHBondContact O-N 2.8Å; D241-W244 VanDerWaalsContact O-N 3.15Å; D241-Q286 VanDerWaalsContact C-NE2 3.29Å; D241-Q286 PolarHBondContact O-NE2 2.78Å | ||
| 242 | G | 67.7 | Low | 80.1 | Confident | 70 Ų | 70 | 40.2 Ų | 40.2 | 72% | 0.722 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 3.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 243 | R | 67.9 | Low | 79.9 | Confident | 160 Ų | 160 | 39 Ų | 39 | 60% | 0.604 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -13.1 | 174.8 | -63.1 | -179.1 | -68.6 | 173.3 | -1.9 | 113.1 | D241 R318 A319 | D241-R243 PolarHBondContact O-N 2.91Å; D241-R243 IonicContact OD2-CZ 3.54Å; D241-R243 IonicContact OD2-NE 3.69Å; D241-R243 IonicContact OD2-NH2 3.15Å; D241-R243 PolarHBondContact OD2-NH2 2.87Å; R243-R318 WeakPolarHBondContact O-CA 3.34Å; R243-A319 PolarHBondContact O-N 2.9Å |
| 244 | W | 72.1 | Confident | 79.4 | Confident | 104 Ų | 104 | 39 Ų | 39 | 39% | 0.394 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.8 | -177.2 | -60.8 | 100.9 | 0 | 0 | 0 | 111.2 | D241 Q286 L316 C317 R318 | D241-W244 PolarHBondContact O-N 2.8Å; D241-W244 VanDerWaalsContact O-N 3.15Å; W244-Q286 WeakPolarHBondContact O-CG 3.43Å; W244-L316 HydrophobicContact CE3-CB 4.04Å; W244-C317 CarbonylContact C-O 3.59Å; W244-C317 WeakPolarHBondContact CA-O 3.37Å; W244-R318 HydrophobicContact CZ3-CB 4.48Å |
| 245 | N | 80.1 | Confident | 78.9 | Confident | 14 Ų | 14 | 39 Ų | 39 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 155.1 | 172 | -66.6 | -19.9 | 0 | 0 | 0 | 110.8 | G283 R284 S285 L316 C317 | N245-G283 PolarHBondContact ND2-O 2.81Å; N245-R284 VanDerWaalsContact ND2-C 3.27Å; N245-R284 PolarHBondContact ND2-O 3.31Å; N245-S285 CarbonylContact C-O 3.38Å; N245-S285 VanDerWaalsContact CA-O 3.26Å; N245-S285 WeakPolarHBondContact CA-O 3.41Å; N245-S285 WeakPolarHBondContact CB-O 3.39Å; N245-S285 WeakPolarHBondContact OD1-CA 3.49Å; N245-L316 WeakPolarHBondContact O-CA 3.39Å; N245-L316 WeakPolarHBondContact O-CD2 3.43Å; N245-C317 PolarHBondContact N-O 3.25Å; N245-C317 PolarHBondContact O-N 3.48Å |
| 246 | V | 82.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 122.6 | 176 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | L204 V235 A237 G283 S285 Q286 L316 | L204-V246 HydrophobicContact CD2-CG2 3.78Å; V235-V246 HydrophobicContact CB-CG1 3.96Å; V235-V246 HydrophobicContact CG1-CG1 3.61Å; A237-V246 HydrophobicContact CB-CG2 3.71Å; V246-G283 VanDerWaalsContact O-CA 3.31Å; V246-G283 WeakPolarHBondContact O-CA 3.35Å; V246-G283 PolarHBondContact O-N 3.23Å; V246-S285 PolarHBondContact N-O 2.86Å; V246-Q286 WeakPolarHBondContact CG2-O 3.47Å; V246-L316 HydrophobicContact CG2-CD2 4.06Å |
| 247 | L | 82.4 | Confident | 77.7 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.1 | 174.6 | -175.9 | 68.8 | 0 | 0 | 0 | 109.9 | N282 T314 K315 L325 M326 | L247-N282 WeakPolarHBondContact CA-OD1 3.37Å; L247-T314 CarbonylContact O-C 3.56Å; L247-T314 VanDerWaalsContact O-CA 3.29Å; L247-T314 WeakPolarHBondContact O-CA 3.45Å; L247-K315 PolarHBondContact N-O 2.86Å; L247-K315 PolarHBondContact O-N 3.09Å; L247-L325 HydrophobicContact CD2-CB 3.98Å; L247-M326 HydrophobicContact CD1-CG 3.75Å; L247-M326 HydrophobicContact CD1-SD 4.38Å |
| 248 | M | 89.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 115.3 | 172.6 | -56.9 | 168.5 | -65.7 | 0 | 0 | 108.2 | V235 F268 V279 E281 N282 F290 T314 | V235-M248 HydrophobicContact CB-SD 4.44Å; V235-M248 HydrophobicContact CG2-CG 4.2Å; V235-M248 HydrophobicContact CG2-SD 4.04Å; M248-F268 HydrophobicContact CB-CE2 4.03Å; M248-F268 HydrophobicContact CB-CZ 3.86Å; M248-F268 HydrophobicContact CE-CZ 4.47Å; M248-F268 HydrophobicContact SD-CZ 4.38Å; M248-V279 HydrophobicContact CE-CG1 4.36Å; M248-E281 WeakPolarHBondContact CE-O 3.25Å; M248-N282 HydrophobicContact CE-CB 3.92Å; M248-N282 PolarHBondContact N-OD1 3.13Å; M248-N282 PolarHBondContact O-ND2 2.97Å; M248-F290 HydrophobicContact CE-CD1 4.35Å; M248-F290 HydrophobicContact SD-CD1 3.75Å; M248-F290 HydrophobicContact SD-CE1 3.99Å; M248-T314 HydrophobicContact CG-CG2 4.06Å |
| 249 | D | 82.8 | Confident | 77.6 | Confident | 31 Ų | 31 | 42.4 Ų | 42.4 | 17% | 0.166 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -43.7 | -177.7 | -166.1 | 6 | 0 | 0 | 0 | 110.8 | S270 V313 K315 | D249-S270 PolarHBondContact O-N 3.45Å; D249-S270 PolarHBondContact OD1-OG 2.86Å; D249-V313 PolarHBondContact N-O 3.47Å; D249-K315 WeakPolarHBondContact OD2-CE 3.33Å; D249-K315 IonicContact OD2-NZ 3.42Å; D249-K315 PolarHBondContact OD2-NZ 3.22Å |
| 250 | Y | 87.2 | Confident | 78.3 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 125.4 | -175.2 | 174.9 | -138.2 | 0 | 0 | 0 | 110.1 | Y252 D266 F268 L269 C312 V313 W343 | Y250-Y252 AromaticContact CD1-CD1 3.57Å; Y250-Y252 HydrophobicContact CD1-CD1 3.57Å; Y250-Y252 AromaticContact CD1-CE1 3.86Å; Y250-Y252 HydrophobicContact CD1-CE1 3.86Å; Y250-Y252 HydrophobicContact CD2-CD1 4.42Å; Y250-Y252 AromaticContact CE1-CD1 3.15Å; Y250-Y252 HydrophobicContact CE1-CD1 3.15Å; Y250-Y252 AromaticContact CE1-CE1 3.54Å; Y250-Y252 HydrophobicContact CE1-CE1 3.54Å; Y250-Y252 AromaticContact CE1-CG 3.83Å; Y250-Y252 HydrophobicContact CE1-CG 3.83Å; Y250-Y252 HydrophobicContact CE2-CD1 4.08Å; Y250-Y252 HydrophobicContact CE2-CG 4.3Å; Y250-Y252 HydrophobicContact CG-CD1 4.19Å; Y250-Y252 AromaticContact CZ-CD1 3.44Å; Y250-Y252 VanDerWaalsContact CZ-CD1 3.44Å; Y250-Y252 AromaticContact CZ-CG 3.66Å; Y250-Y252 WeakPolarHBondContact OH-CB 3.2Å; Y250-D266 HydrophobicContact CE2-CB 4.07Å; Y250-D266 WeakPolarHBondContact CE2-OD1 3.09Å; Y250-D266 PolarHBondContact OH-OD1 3.37Å; Y250-F268 WeakPolarHBondContact CA-O 3.47Å; Y250-F268 WeakPolarHBondContact CD2-O 3.16Å; Y250-L269 HydrophobicContact CD2-CB 3.89Å; Y250-L269 HydrophobicContact CD2-CD1 3.82Å; Y250-L269 HydrophobicContact CD2-CG 4.41Å; Y250-L269 HydrophobicContact CE2-CB 4.43Å; Y250-L269 HydrophobicContact CG-CD1 3.85Å; Y250-C312 CarbonylContact O-C 3.52Å; Y250-C312 WeakPolarHBondContact O-CA 3.34Å; Y250-V313 HydrophobicContact CD1-CG2 3.87Å; Y250-V313 HydrophobicContact CG-CG2 4.48Å; Y250-V313 PolarHBondContact N-O 2.89Å; Y250-V313 PolarHBondContact O-N 3.49Å; Y250-W343 AromaticContact CD1-CE3 3.83Å; Y250-W343 HydrophobicContact CD1-CE3 3.83Å; Y250-W343 HydrophobicContact CD1-CH2 4.07Å; Y250-W343 AromaticContact CD1-CZ3 3.55Å; Y250-W343 HydrophobicContact CD1-CZ3 3.55Å; Y250-W343 AromaticContact CE1-CE3 4Å; Y250-W343 HydrophobicContact CE1-CE3 4Å; Y250-W343 HydrophobicContact CE1-CZ3 4.11Å; Y250-W343 HydrophobicContact CG-CZ3 4.47Å |
| 251 | C | 90.1 | Very high | 79 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135 | 169.5 | -67.2 | 0 | 0 | 0 | 0 | 110.3 | L267 F268 F290 H311 C312 | C251-L267 WeakPolarHBondContact O-CB 3.3Å; C251-L267 PolarHBondContact O-N 3.11Å; C251-F268 HydrophobicContact CB-CD1 3.97Å; C251-F268 HydrophobicContact CB-CE1 3.46Å; C251-F268 VanDerWaalsContact CB-CE1 3.46Å; C251-F268 HydrophobicContact CB-CE2 4.47Å; C251-F268 HydrophobicContact CB-CZ 3.76Å; C251-F268 PolarHBondContact N-O 2.9Å; C251-F268 PolarHBondContact O-N 2.02Å; C251-F268 VanDerWaalsContact O-N 3.15Å; C251-F268 VanDerWaalsContact SG-CE1 3.57Å; C251-F268 WeakPolarHBondContact SG-CZ 3.38Å; C251-F290 HydrophobicContact CB-CZ 4.26Å; C251-H311 CarbonylContact C-O 3.58Å; C251-H311 VanDerWaalsContact CA-O 3.23Å; C251-H311 WeakPolarHBondContact CA-O 3.34Å; C251-C312 HydrophobicContact CB-CB 4.22Å; C251-C312 WeakPolarHBondContact CB-SG 3.26Å; C251-C312 WeakPolarHBondContact SG-CB 3.4Å; C251-C312 CovalentContact SG-SG 2.05Å; C251-C312 PolarHBondContact SG-SG 2.67Å |
| 252 | Y | 92.6 | Very high | 79.9 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 169 | -175.9 | 63.5 | -81.1 | 0 | 0 | 0 | 110.2 | Y250 T254 P259 R264 Y265 H311 V313 | Y250-Y252 AromaticContact CD1-CD1 3.57Å; Y250-Y252 HydrophobicContact CD1-CD1 3.57Å; Y250-Y252 AromaticContact CD1-CE1 3.86Å; Y250-Y252 HydrophobicContact CD1-CE1 3.86Å; Y250-Y252 HydrophobicContact CD2-CD1 4.42Å; Y250-Y252 AromaticContact CE1-CD1 3.15Å; Y250-Y252 HydrophobicContact CE1-CD1 3.15Å; Y250-Y252 AromaticContact CE1-CE1 3.54Å; Y250-Y252 HydrophobicContact CE1-CE1 3.54Å; Y250-Y252 AromaticContact CE1-CG 3.83Å; Y250-Y252 HydrophobicContact CE1-CG 3.83Å; Y250-Y252 HydrophobicContact CE2-CD1 4.08Å; Y250-Y252 HydrophobicContact CE2-CG 4.3Å; Y250-Y252 HydrophobicContact CG-CD1 4.19Å; Y250-Y252 AromaticContact CZ-CD1 3.44Å; Y250-Y252 VanDerWaalsContact CZ-CD1 3.44Å; Y250-Y252 AromaticContact CZ-CG 3.66Å; Y250-Y252 WeakPolarHBondContact OH-CB 3.2Å; Y252-T254 HydrophobicContact CD2-CG2 4.07Å; Y252-T254 HydrophobicContact CE2-CG2 3.95Å; Y252-P259 VanDerWaalsContact CE2-O 3.31Å; Y252-P259 WeakPolarHBondContact CE2-O 3.27Å; Y252-P259 WeakPolarHBondContact OH-CB 3.5Å; Y252-P259 PolarHBondContact OH-O 3.16Å; Y252-R264 HydrophobicContact CD2-CB 4.16Å; Y252-Y265 CarbonylContact C-O 3.51Å; Y252-Y265 VanDerWaalsContact CA-O 3.22Å; Y252-Y265 WeakPolarHBondContact CA-O 3.25Å; Y252-Y265 WeakPolarHBondContact CB-O 3.42Å; Y252-H311 HydrophobicContact CD1-CB 4.07Å; Y252-H311 HydrophobicContact CD2-CB 4.12Å; Y252-H311 HydrophobicContact CE1-CB 3.67Å; Y252-H311 HydrophobicContact CE2-CB 3.72Å; Y252-H311 AromaticContact CE2-CD2 3.85Å; Y252-H311 AromaticContact CE2-CG 4Å; Y252-H311 HydrophobicContact CG-CB 4.3Å; Y252-H311 VanDerWaalsContact CZ-CB 3.49Å; Y252-H311 PolarHBondContact N-O 2.88Å; Y252-H311 PolarHBondContact O-N 2.84Å; Y252-H311 VanDerWaalsContact O-O 3.06Å; Y252-V313 HydrophobicContact CE1-CG2 4.3Å |
| 253 | T | 90.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 158 | 175 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | R264 Y265 L267 F295 F297 V308 F309 L310 | T253-R264 CarbonylContact O-C 3.51Å; T253-R264 VanDerWaalsContact O-CA 3.23Å; T253-R264 WeakPolarHBondContact O-CA 3.48Å; T253-Y265 PolarHBondContact N-O 3.13Å; T253-Y265 PolarHBondContact O-N 2.84Å; T253-L267 HydrophobicContact CG2-CD1 3.88Å; T253-L267 HydrophobicContact CG2-CD2 4.21Å; T253-L267 HydrophobicContact CG2-CG 4.04Å; T253-F295 HydrophobicContact CG2-CZ 4.24Å; T253-F295 WeakPolarHBondContact OG1-CZ 3.47Å; T253-F297 WeakPolarHBondContact OG1-CZ 3.09Å; T253-V308 HydrophobicContact CG2-CG1 3.89Å; T253-F309 CarbonylContact C-O 3.57Å; T253-F309 WeakPolarHBondContact CA-O 3.34Å; T253-F309 WeakPolarHBondContact CB-O 3.3Å; T253-L310 HydrophobicContact CG2-CD1 4.04Å |
| 254 | T | 82.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 156.5 | -179.9 | 53.8 | 0 | 0 | 0 | 0 | 109.9 | Y252 S256 D261 R264 F297 F309 H311 | Y252-T254 HydrophobicContact CD2-CG2 4.07Å; Y252-T254 HydrophobicContact CE2-CG2 3.95Å; T254-S256 VanDerWaalsContact C-N 3.29Å; T254-S256 PolarHBondContact OG1-O 2.89Å; T254-D261 HydrophobicContact CG2-CB 3.85Å; T254-R264 HydrophobicContact CG2-CB 4.32Å; T254-F297 WeakPolarHBondContact O-CE2 3.38Å; T254-F309 PolarHBondContact N-O 3.39Å; T254-F309 PolarHBondContact O-N 3.37Å; T254-H311 PolarHBondContact OG1-CD2 3.18Å; T254-H311 VanDerWaalsContact OG1-CD2 3.27Å; T254-H311 PolarHBondContact OG1-NE2 3.31Å |
| 255 | P | 81 | Confident | 82.3 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -76.6 | -17.7 | 177.2 | 29.9 | -33.4 | 0 | 0 | 0 | 112.9 | I263 F297 K299 T307 | P255-I263 WeakPolarHBondContact CD-O 3.42Å; P255-I263 HydrophobicContact CG-CB 4.03Å; P255-I263 HydrophobicContact CG-CG2 4.03Å; P255-F297 HydrophobicContact CB-CB 4.3Å; P255-F297 HydrophobicContact CB-CD2 3.79Å; P255-F297 HydrophobicContact CB-CE2 4.24Å; P255-F297 HydrophobicContact CB-CG 3.95Å; P255-K299 HydrophobicContact CB-CD 4.31Å; P255-K299 HydrophobicContact CG-CD 4.11Å; P255-T307 PolarHBondContact O-OG1 3.02Å |
| 256 | S | 74.9 | Confident | 82.9 | Confident | 38 Ų | 38 | 41.9 Ų | 41.9 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -118.4 | 160.5 | 179.1 | 77.6 | 0 | 0 | 0 | 0 | 111.2 | T254 N258 D261 F309 | T254-S256 VanDerWaalsContact C-N 3.29Å; T254-S256 PolarHBondContact OG1-O 2.89Å; S256-N258 PolarHBondContact O-N 3.07Å; S256-N258 PolarHBondContact OG-N 2.9Å; S256-D261 VanDerWaalsContact CB-OD2 3.3Å; S256-D261 WeakPolarHBondContact CB-OD2 3.5Å; S256-D261 PolarHBondContact OG-OD2 2.77Å; S256-F309 WeakPolarHBondContact O-CD2 3.39Å |
| 257 | G | 73.4 | Confident | 83.4 | Confident | 33 Ų | 33 | 42 Ų | 42 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -67.9 | -0 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | P259 F309 | G257-P259 WeakPolarHBondContact O-CD 3.46Å; G257-F309 VanDerWaalsContact N-CE2 3.33Å |
| 258 | N | 71 | Confident | 83.8 | Confident | 79 Ų | 79 | 41.5 Ų | 41.5 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | trans | -83.9 | 116.8 | 178 | -177.2 | 7.8 | 0 | 0 | 0 | 110.2 | S256 N260 D261 | S256-N258 PolarHBondContact O-N 3.07Å; S256-N258 PolarHBondContact OG-N 2.9Å; N258-N260 PolarHBondContact O-N 3.3Å; N258-N260 VanDerWaalsContact O-N 3.12Å; N258-N260 WeakPolarHBondContact OD1-CB 3.42Å; N258-N260 PolarHBondContact OD1-N 2.68Å; N258-D261 PolarHBondContact O-N 3.47Å; N258-D261 VanDerWaalsContact O-N 3.17Å | ||
| 259 | P | 74.7 | Confident | 83.7 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 16% | 0.156 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -18.7 | 175 | -17.1 | 28.5 | 0 | 0 | 0 | 113.6 | Y252 G257 V353 | Y252-P259 VanDerWaalsContact CE2-O 3.31Å; Y252-P259 WeakPolarHBondContact CE2-O 3.27Å; Y252-P259 WeakPolarHBondContact OH-CB 3.5Å; Y252-P259 PolarHBondContact OH-O 3.16Å; G257-P259 WeakPolarHBondContact O-CD 3.46Å; P259-V353 HydrophobicContact CB-CG1 4.18Å |
| 260 | N | 78.3 | Confident | 83.5 | Confident | 124 Ų | 124 | 45 Ų | 45 | 66% | 0.663 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 19.4 | 179.6 | -62.2 | -41.8 | 0 | 0 | 0 | 113.2 | N258 | N258-N260 PolarHBondContact O-N 3.3Å; N258-N260 VanDerWaalsContact O-N 3.12Å; N258-N260 WeakPolarHBondContact OD1-CB 3.42Å; N258-N260 PolarHBondContact OD1-N 2.68Å |
| 261 | D | 76.7 | Confident | 82.9 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | trans | -58.4 | 144.2 | 174 | -159 | -51.7 | 0 | 0 | 0 | 111 | T254 S256 N258 I263 R264 | T254-D261 HydrophobicContact CG2-CB 3.85Å; S256-D261 VanDerWaalsContact CB-OD2 3.3Å; S256-D261 WeakPolarHBondContact CB-OD2 3.5Å; S256-D261 PolarHBondContact OG-OD2 2.77Å; N258-D261 PolarHBondContact O-N 3.47Å; N258-D261 VanDerWaalsContact O-N 3.17Å; D261-I263 VanDerWaalsContact C-N 3.25Å; D261-I263 PolarHBondContact O-N 2.8Å; D261-I263 PolarHBondContact OD1-N 2.68Å; D261-R264 PolarHBondContact O-NH2 3.31Å | ||
| 262 | D | 80.4 | Confident | 82.6 | Confident | 151 Ų | 151 | 52.6 Ų | 52.6 | 81% | 0.807 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -66.3 | -33.1 | 175.7 | -67.1 | -33.1 | 0 | 0 | 0 | 110.9 | ||
| 263 | I | 80.1 | Confident | 82.3 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 35% | 0.349 | 31% | 0.311 | S | S | . | . | trans | -91.2 | 108.9 | 178.3 | -60.9 | 168.1 | 0 | 0 | 0 | 108.5 | P255 D261 F297 K299 | P255-I263 WeakPolarHBondContact CD-O 3.42Å; P255-I263 HydrophobicContact CG-CB 4.03Å; P255-I263 HydrophobicContact CG-CG2 4.03Å; D261-I263 VanDerWaalsContact C-N 3.25Å; D261-I263 PolarHBondContact O-N 2.8Å; D261-I263 PolarHBondContact OD1-N 2.68Å; I263-F297 HydrophobicContact CG2-CD1 3.78Å; I263-F297 HydrophobicContact CG2-CE1 3.9Å; I263-K299 HydrophobicContact CD1-CB 4.47Å; I263-K299 HydrophobicContact CD1-CD 3.79Å; I263-K299 HydrophobicContact CD1-CG 4.4Å | ||
| 264 | R | 87.6 | Confident | 82.3 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | trans | -130.7 | 151.2 | 176.4 | 69.2 | -165.8 | 72.1 | -174.1 | -1.4 | 112.1 | Y252 T253 T254 D261 | Y252-R264 HydrophobicContact CD2-CB 4.16Å; T253-R264 CarbonylContact O-C 3.51Å; T253-R264 VanDerWaalsContact O-CA 3.23Å; T253-R264 WeakPolarHBondContact O-CA 3.48Å; T254-R264 HydrophobicContact CG2-CB 4.32Å; D261-R264 PolarHBondContact O-NH2 3.31Å | ||
| 265 | Y | 90.4 | Very high | 82.5 | Confident | 86 Ų | 86 | 65.1 Ų | 65.1 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 121.3 | 171.3 | -174.5 | -92.8 | 0 | 0 | 0 | 109.8 | Y252 T253 L267 D274 F295 | Y252-Y265 CarbonylContact C-O 3.51Å; Y252-Y265 VanDerWaalsContact CA-O 3.22Å; Y252-Y265 WeakPolarHBondContact CA-O 3.25Å; Y252-Y265 WeakPolarHBondContact CB-O 3.42Å; T253-Y265 PolarHBondContact N-O 3.13Å; T253-Y265 PolarHBondContact O-N 2.84Å; Y265-L267 HydrophobicContact CD1-CD2 4.05Å; Y265-L267 HydrophobicContact CE1-CD2 4.18Å; Y265-D274 HydrophobicContact CE1-CB 4.46Å; Y265-D274 PolarHBondContact OH-OD1 3.14Å; Y265-F295 AromaticContact CD1-CE1 3.59Å; Y265-F295 HydrophobicContact CD1-CE1 3.59Å; Y265-F295 HydrophobicContact CD1-CE2 4.12Å; Y265-F295 AromaticContact CD1-CZ 3.27Å; Y265-F295 HydrophobicContact CD1-CZ 3.27Å; Y265-F295 AromaticContact CE1-CE1 3.88Å; Y265-F295 HydrophobicContact CE1-CE1 3.88Å; Y265-F295 HydrophobicContact CE1-CZ 4Å; Y265-F295 HydrophobicContact CG-CE1 4.3Å; Y265-F295 AromaticContact CG-CE2 4Å; Y265-F295 HydrophobicContact CG-CE2 4Å; Y265-F295 AromaticContact CG-CZ 3.58Å; Y265-F295 HydrophobicContact CG-CZ 3.58Å |
| 266 | D | 91.6 | Very high | 82.9 | Confident | 82 Ų | 82 | 69.3 Ų | 69.3 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 119.9 | -174.3 | -56.7 | -27.3 | 0 | 0 | 0 | 109.8 | Y250 | Y250-D266 HydrophobicContact CE2-CB 4.07Å; Y250-D266 WeakPolarHBondContact CE2-OD1 3.09Å; Y250-D266 PolarHBondContact OH-OD1 3.37Å |
| 267 | L | 92.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -48.5 | 175.1 | -61.6 | 179.7 | 0 | 0 | 0 | 110.1 | C251 T253 Y265 D274 T277 F290 F292 F295 L310 | C251-L267 WeakPolarHBondContact O-CB 3.3Å; C251-L267 PolarHBondContact O-N 3.11Å; T253-L267 HydrophobicContact CG2-CD1 3.88Å; T253-L267 HydrophobicContact CG2-CD2 4.21Å; T253-L267 HydrophobicContact CG2-CG 4.04Å; Y265-L267 HydrophobicContact CD1-CD2 4.05Å; Y265-L267 HydrophobicContact CE1-CD2 4.18Å; L267-D274 WeakPolarHBondContact O-CB 3.03Å; L267-D274 PolarHBondContact O-N 3.42Å; L267-T277 HydrophobicContact CB-CG2 4.12Å; L267-F290 HydrophobicContact CD1-CE2 3.95Å; L267-F292 HydrophobicContact CD1-CB 4.32Å; L267-F292 HydrophobicContact CD1-CD1 4Å; L267-F292 HydrophobicContact CD1-CD2 4.27Å; L267-F292 HydrophobicContact CD1-CE1 4.38Å; L267-F292 HydrophobicContact CD1-CG 3.94Å; L267-F292 HydrophobicContact CD2-CB 4.13Å; L267-F292 HydrophobicContact CD2-CD2 4.15Å; L267-F292 HydrophobicContact CD2-CG 4.22Å; L267-F295 HydrophobicContact CD2-CE1 4.09Å; L267-L310 HydrophobicContact CD1-CD1 3.43Å; L267-L310 VanDerWaalsContact CD1-CD1 3.43Å |
| 268 | F | 90.9 | Very high | 84.8 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 145.2 | 168.8 | 65.6 | -87.6 | 0 | 0 | 0 | 111 | M248 Y250 C251 D272 K273 T277 V279 F290 | M248-F268 HydrophobicContact CB-CE2 4.03Å; M248-F268 HydrophobicContact CB-CZ 3.86Å; M248-F268 HydrophobicContact CE-CZ 4.47Å; M248-F268 HydrophobicContact SD-CZ 4.38Å; Y250-F268 WeakPolarHBondContact CA-O 3.47Å; Y250-F268 WeakPolarHBondContact CD2-O 3.16Å; C251-F268 HydrophobicContact CB-CD1 3.97Å; C251-F268 HydrophobicContact CB-CE1 3.46Å; C251-F268 VanDerWaalsContact CB-CE1 3.46Å; C251-F268 HydrophobicContact CB-CE2 4.47Å; C251-F268 HydrophobicContact CB-CZ 3.76Å; C251-F268 PolarHBondContact N-O 2.9Å; C251-F268 PolarHBondContact O-N 2.02Å; C251-F268 VanDerWaalsContact O-N 3.15Å; C251-F268 VanDerWaalsContact SG-CE1 3.57Å; C251-F268 WeakPolarHBondContact SG-CZ 3.38Å; F268-D272 CarbonylContact C-O 3.59Å; F268-D272 WeakPolarHBondContact CA-O 3.5Å; F268-D272 WeakPolarHBondContact CB-O 3.48Å; F268-K273 HydrophobicContact CB-CB 3.9Å; F268-T277 HydrophobicContact CD1-CG2 3.97Å; F268-V279 HydrophobicContact CD1-CG2 3.89Å; F268-V279 HydrophobicContact CD2-CG2 4.26Å; F268-V279 HydrophobicContact CE1-CG2 3.99Å; F268-V279 HydrophobicContact CE2-CG2 4.37Å; F268-V279 HydrophobicContact CG-CG2 4.02Å; F268-V279 HydrophobicContact CZ-CG2 4.23Å; F268-F290 HydrophobicContact CE1-CB 4.35Å; F268-F290 HydrophobicContact CE1-CD1 4.26Å; F268-F290 AromaticContact CE1-CD2 3.97Å; F268-F290 HydrophobicContact CE1-CD2 3.97Å; F268-F290 HydrophobicContact CE1-CE2 4.25Å; F268-F290 AromaticContact CE1-CG 3.96Å; F268-F290 HydrophobicContact CE1-CG 3.96Å; F268-F290 HydrophobicContact CE1-CZ 4.49Å |
| 269 | L | 87.6 | Confident | 85.8 | Confident | 52 Ų | 52 | 67.5 Ų | 67.5 | 27% | 0.272 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 103.9 | 168.6 | 174.9 | 64 | 0 | 0 | 0 | 107 | Y250 C271 D272 | Y250-L269 HydrophobicContact CD2-CB 3.89Å; Y250-L269 HydrophobicContact CD2-CD1 3.82Å; Y250-L269 HydrophobicContact CD2-CG 4.41Å; Y250-L269 HydrophobicContact CE2-CB 4.43Å; Y250-L269 HydrophobicContact CG-CD1 3.85Å; L269-C271 PolarHBondContact O-N 2.8Å; L269-D272 PolarHBondContact N-O 3.4Å; L269-D272 PolarHBondContact O-N 2.92Å |
| 270 | S | 78.5 | Confident | 86.6 | Confident | 53 Ų | 53 | 70.9 Ų | 70.9 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | -101.5 | 179.4 | -85.4 | 0 | 0 | 0 | 0 | 112.7 | D249 P327 | D249-S270 PolarHBondContact O-N 3.45Å; D249-S270 PolarHBondContact OD1-OG 2.86Å; S270-P327 VanDerWaalsContact CB-CG 3.47Å; S270-P327 WeakPolarHBondContact OG-CG 3.41Å |
| 271 | C | 76.1 | Confident | 87.2 | Confident | 47 Ų | 47 | 66.9 Ų | 66.9 | 32% | 0.318 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -26.4 | 179.8 | -66.3 | 0 | 0 | 0 | 0 | 113.8 | L269 K273 C329 | L269-C271 PolarHBondContact O-N 2.8Å; C271-K273 PolarHBondContact O-N 3.33Å; C271-C329 WeakPolarHBondContact CA-SG 3.39Å; C271-C329 HydrophobicContact CB-CB 3.73Å; C271-C329 WeakPolarHBondContact CB-SG 3.27Å; C271-C329 WeakPolarHBondContact SG-CA 3Å; C271-C329 WeakPolarHBondContact SG-CB 3.42Å; C271-C329 CovalentContact SG-SG 2.03Å; C271-C329 PolarHBondContact SG-SG 2.9Å |
| 272 | D | 81.9 | Confident | 87.9 | Confident | 123 Ų | 123 | 67.4 Ų | 67.4 | 66% | 0.658 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 117.5 | -177.1 | -66.8 | -33.5 | 0 | 0 | 0 | 108.2 | F268 L269 | F268-D272 CarbonylContact C-O 3.59Å; F268-D272 WeakPolarHBondContact CA-O 3.5Å; F268-D272 WeakPolarHBondContact CB-O 3.48Å; L269-D272 PolarHBondContact N-O 3.4Å; L269-D272 PolarHBondContact O-N 2.92Å |
| 273 | K | 88.1 | Confident | 88.1 | Confident | 137 Ų | 137 | 60.4 Ų | 60.4 | 60% | 0.596 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 142.9 | -179.4 | 64 | 177.4 | -177.9 | 174.7 | 0 | 110.9 | F268 C271 | F268-K273 HydrophobicContact CB-CB 3.9Å; C271-K273 PolarHBondContact O-N 3.33Å |
| 274 | D | 88.8 | Confident | 88.4 | Confident | 25 Ų | 25 | 66.8 Ų | 66.8 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | trans | -61.6 | 140.4 | 168.9 | 173 | 73.3 | 0 | 0 | 0 | 110.5 | Y265 L267 Q276 T277 | Y265-D274 HydrophobicContact CE1-CB 4.46Å; Y265-D274 PolarHBondContact OH-OD1 3.14Å; L267-D274 WeakPolarHBondContact O-CB 3.03Å; L267-D274 PolarHBondContact O-N 3.42Å; D274-Q276 PolarHBondContact O-N 3.13Å; D274-Q276 VanDerWaalsContact O-N 3.16Å; D274-Q276 VanDerWaalsContact OD2-CA 3.31Å; D274-Q276 WeakPolarHBondContact OD2-CA 3.43Å; D274-Q276 VanDerWaalsContact OD2-CB 3.23Å; D274-Q276 WeakPolarHBondContact OD2-CB 3.43Å; D274-Q276 PolarHBondContact OD2-N 3.25Å; D274-T277 PolarHBondContact O-N 3.04Å; D274-T277 PolarHBondContact OD2-N 3.39Å | ||
| 275 | P | 88.5 | Confident | 88.4 | Confident | 112 Ų | 112 | 63.3 Ų | 63.3 | 73% | 0.727 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.7 | -179.7 | -26.8 | 35.7 | 0 | 0 | 0 | 114.7 | T277 | P275-T277 VanDerWaalsContact C-N 3.3Š|
| 276 | Q | 89.9 | Confident | 88.1 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3.9 | 177.9 | -51.4 | -56 | -40.9 | 0 | 0 | 112.6 | D274 F292 E293 | D274-Q276 PolarHBondContact O-N 3.13Å; D274-Q276 VanDerWaalsContact O-N 3.16Å; D274-Q276 VanDerWaalsContact OD2-CA 3.31Å; D274-Q276 WeakPolarHBondContact OD2-CA 3.43Å; D274-Q276 VanDerWaalsContact OD2-CB 3.23Å; D274-Q276 WeakPolarHBondContact OD2-CB 3.43Å; D274-Q276 PolarHBondContact OD2-N 3.25Å; Q276-F292 WeakPolarHBondContact O-CA 3.02Å; Q276-E293 HydrophobicContact CB-CB 4.03Å; Q276-E293 HydrophobicContact CB-CG 4.19Å; Q276-E293 PolarHBondContact O-N 3.27Å; Q276-E293 PolarHBondContact OE1-OE1 3.04Å; Q276-E293 PolarHBondContact OE1-OE2 3.09Å; Q276-E293 VanDerWaalsContact OE1-OE2 3.1Å |
| 277 | T | 92.8 | Very high | 88 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.8 | 178.1 | -60.8 | 0 | 0 | 0 | 0 | 111 | L267 F268 D274 P275 F290 S291 F292 | L267-T277 HydrophobicContact CB-CG2 4.12Å; F268-T277 HydrophobicContact CD1-CG2 3.97Å; D274-T277 PolarHBondContact O-N 3.04Å; D274-T277 PolarHBondContact OD2-N 3.39Å; P275-T277 VanDerWaalsContact C-N 3.3Å; T277-F290 HydrophobicContact CG2-CD2 4.49Å; T277-S291 CarbonylContact C-O 3.52Å; T277-S291 WeakPolarHBondContact CA-O 3.33Å; T277-F292 HydrophobicContact CG2-CB 4.44Å |
| 278 | T | 93.6 | Very high | 87.9 | Confident | 61 Ų | 61 | 63 Ų | 63 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123 | 175.7 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | I280 F290 S291 | T278-I280 HydrophobicContact CG2-CD1 4.45Å; T278-I280 WeakPolarHBondContact O-CD1 3.43Å; T278-F290 CarbonylContact O-C 3.23Å; T278-F290 WeakPolarHBondContact O-CA 3.49Å; T278-F290 WeakPolarHBondContact O-CB 3.06Å; T278-S291 PolarHBondContact N-O 2.96Å; T278-S291 PolarHBondContact O-N 3.34Å |
| 279 | V | 92.6 | Very high | 88.1 | Confident | 49 Ų | 49 | 65.7 Ų | 65.7 | 30% | 0.297 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.6 | 171 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | M248 F268 N282 F290 | M248-V279 HydrophobicContact CE-CG1 4.36Å; F268-V279 HydrophobicContact CD1-CG2 3.89Å; F268-V279 HydrophobicContact CD2-CG2 4.26Å; F268-V279 HydrophobicContact CE1-CG2 3.99Å; F268-V279 HydrophobicContact CE2-CG2 4.37Å; F268-V279 HydrophobicContact CG-CG2 4.02Å; F268-V279 HydrophobicContact CZ-CG2 4.23Å; V279-N282 HydrophobicContact CG1-CB 3.87Å; V279-F290 HydrophobicContact CG2-CB 4.29Å |
| 280 | I | 92.3 | Very high | 88.5 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 48% | 0.482 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -45.4 | -178.3 | -64.9 | 84.8 | 0 | 0 | 0 | 110 | Y214 T278 R289 | Y214-I280 WeakPolarHBondContact OH-CD1 3.39Å; T278-I280 HydrophobicContact CG2-CD1 4.45Å; T278-I280 WeakPolarHBondContact O-CD1 3.43Å; I280-R289 WeakPolarHBondContact CA-O 3.5Å; I280-R289 HydrophobicContact CB-CB 4.1Å; I280-R289 PolarHBondContact N-O 3.42Å |
| 281 | E | 91.4 | Very high | 89.3 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 127.6 | -173 | -169.4 | 175 | -175.6 | 0 | 0 | 109.8 | M248 S285 G288 R289 | M248-E281 WeakPolarHBondContact CE-O 3.25Å; E281-S285 WeakPolarHBondContact OE1-CB 3.26Å; E281-S285 PolarHBondContact OE1-OG 3.39Å; E281-G288 CarbonylContact O-C 3.5Å; E281-G288 VanDerWaalsContact O-CA 3.3Å; E281-G288 WeakPolarHBondContact O-CA 3.4Å; E281-R289 HydrophobicContact CB-CB 4.03Å; E281-R289 PolarHBondContact N-O 3.38Å; E281-R289 PolarHBondContact O-N 3.2Å; E281-R289 IonicContact OE2-NH1 3.4Å; E281-R289 PolarHBondContact OE2-NH1 2.05Å |
| 282 | N | 90.1 | Very high | 90.2 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | trans | -152.2 | 129.4 | 178.3 | -164.4 | 14.4 | 0 | 0 | 0 | 109.9 | L247 M248 V279 R284 | L247-N282 WeakPolarHBondContact CA-OD1 3.37Å; M248-N282 HydrophobicContact CE-CB 3.92Å; M248-N282 PolarHBondContact N-OD1 3.13Å; M248-N282 PolarHBondContact O-ND2 2.97Å; V279-N282 HydrophobicContact CG1-CB 3.87Å; N282-R284 PolarHBondContact O-N 2.75Å | ||
| 283 | G | 84.3 | Confident | 90.8 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 70.1 | 7.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | N245 V246 C322 | N245-G283 PolarHBondContact ND2-O 2.81Å; V246-G283 VanDerWaalsContact O-CA 3.31Å; V246-G283 WeakPolarHBondContact O-CA 3.35Å; V246-G283 PolarHBondContact O-N 3.23Å; G283-C322 VanDerWaalsContact O-CB 3.26Å; G283-C322 WeakPolarHBondContact O-CB 3.45Å |
| 284 | R | 86.8 | Confident | 90.9 | Very high | 201 Ų | 201 | 49.2 Ų | 49.2 | 76% | 0.758 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -106.6 | -23.4 | -175.6 | -67.4 | -174.6 | -179.5 | -171.3 | -0.7 | 114.8 | N245 N282 | N245-R284 VanDerWaalsContact ND2-C 3.27Å; N245-R284 PolarHBondContact ND2-O 3.31Å; N282-R284 PolarHBondContact O-N 2.75Å |
| 285 | S | 88.1 | Confident | 91.1 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -145.8 | -177.4 | 178.8 | 76.6 | 0 | 0 | 0 | 0 | 110.7 | N245 V246 E281 R287 | N245-S285 CarbonylContact C-O 3.38Å; N245-S285 VanDerWaalsContact CA-O 3.26Å; N245-S285 WeakPolarHBondContact CA-O 3.41Å; N245-S285 WeakPolarHBondContact CB-O 3.39Å; N245-S285 WeakPolarHBondContact OD1-CA 3.49Å; V246-S285 PolarHBondContact N-O 2.86Å; E281-S285 WeakPolarHBondContact OE1-CB 3.26Å; E281-S285 PolarHBondContact OE1-OG 3.39Å; S285-R287 PolarHBondContact O-N 3.2Å; S285-R287 VanDerWaalsContact O-N 3.08Å; S285-R287 PolarHBondContact OG-N 2.81Å; S285-R287 PolarHBondContact OG-O 3.44Å; S285-R287 VanDerWaalsContact OG-O 3.1Å |
| 286 | Q | 83.7 | Confident | 91.1 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -69.8 | 8.8 | 169.1 | -71.3 | -173.9 | -16.1 | 0 | 0 | 113.8 | A237 L240 D241 W244 V246 | A237-Q286 HydrophobicContact CB-CB 3.98Å; A237-Q286 HydrophobicContact CB-CG 4.38Å; A237-Q286 WeakPolarHBondContact CB-O 3.5Å; A237-Q286 PolarHBondContact N-O 2.86Å; L240-Q286 PolarHBondContact O-NE2 2.89Å; D241-Q286 VanDerWaalsContact C-NE2 3.29Å; D241-Q286 PolarHBondContact O-NE2 2.78Å; W244-Q286 WeakPolarHBondContact O-CG 3.43Å; V246-Q286 WeakPolarHBondContact CG2-O 3.47Å |
| 287 | R | 89.3 | Confident | 90.8 | Very high | 108 Ų | 108 | 45.5 Ų | 45.5 | 41% | 0.408 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.8 | 175.4 | -65.6 | 179.1 | 177.8 | 147.7 | -2.6 | 110.1 | V235 Q236 S285 | V235-R287 CarbonylContact O-C 3.46Å; V235-R287 WeakPolarHBondContact O-CA 3.47Å; Q236-R287 HydrophobicContact CB-CG 4.33Å; Q236-R287 HydrophobicContact CG-CG 4.07Å; S285-R287 PolarHBondContact O-N 3.2Å; S285-R287 VanDerWaalsContact O-N 3.08Å; S285-R287 PolarHBondContact OG-N 2.81Å; S285-R287 PolarHBondContact OG-O 3.44Å; S285-R287 VanDerWaalsContact OG-O 3.1Å |
| 288 | G | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109 | A234 V235 E281 | A234-G288 CarbonylContact C-O 3.58Å; A234-G288 WeakPolarHBondContact CA-O 3.03Å; V235-G288 PolarHBondContact N-O 3.13Å; V235-G288 PolarHBondContact O-N 2.78Å; E281-G288 CarbonylContact O-C 3.5Å; E281-G288 VanDerWaalsContact O-CA 3.3Å; E281-G288 WeakPolarHBondContact O-CA 3.4Å |
| 289 | R | 94.8 | Very high | 89.5 | Confident | 61 Ų | 61 | 54 Ų | 54 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.9 | -176.3 | -70.3 | 172.1 | 170.9 | 162.6 | -13.3 | 110.6 | Y214 A234 I280 E281 | Y214-R289 HydrophobicContact CD1-CG 4.23Å; Y214-R289 HydrophobicContact CD2-CG 4.41Å; Y214-R289 HydrophobicContact CE1-CB 4.13Å; Y214-R289 HydrophobicContact CE1-CG 3.97Å; Y214-R289 HydrophobicContact CE2-CB 4.19Å; Y214-R289 HydrophobicContact CE2-CG 4.17Å; Y214-R289 HydrophobicContact CG-CG 4.46Å; A234-R289 HydrophobicContact CB-CG 4.02Å; I280-R289 WeakPolarHBondContact CA-O 3.5Å; I280-R289 HydrophobicContact CB-CB 4.1Å; I280-R289 PolarHBondContact N-O 3.42Å; E281-R289 HydrophobicContact CB-CB 4.03Å; E281-R289 PolarHBondContact N-O 3.38Å; E281-R289 PolarHBondContact O-N 3.2Å; E281-R289 IonicContact OE2-NH1 3.4Å; E281-R289 PolarHBondContact OE2-NH1 2.05Å |
| 290 | F | 95.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 170.3 | 171.6 | 68.3 | -79.3 | 0 | 0 | 0 | 110.2 | Y214 A233 M248 C251 L267 F268 T277 T278 V279 F292 L310 | Y214-F290 PolarHBondContact OH-O 2.03Å; A233-F290 HydrophobicContact CB-CD1 4.14Å; A233-F290 HydrophobicContact CB-CD2 4.3Å; A233-F290 HydrophobicContact CB-CE1 3.65Å; A233-F290 HydrophobicContact CB-CE2 3.84Å; A233-F290 HydrophobicContact CB-CG 4.45Å; A233-F290 HydrophobicContact CB-CZ 3.51Å; A233-F290 PolarHBondContact N-O 2.76Å; A233-F290 PolarHBondContact O-N 3.37Å; M248-F290 HydrophobicContact CE-CD1 4.35Å; M248-F290 HydrophobicContact SD-CD1 3.75Å; M248-F290 HydrophobicContact SD-CE1 3.99Å; C251-F290 HydrophobicContact CB-CZ 4.26Å; L267-F290 HydrophobicContact CD1-CE2 3.95Å; F268-F290 HydrophobicContact CE1-CB 4.35Å; F268-F290 HydrophobicContact CE1-CD1 4.26Å; F268-F290 AromaticContact CE1-CD2 3.97Å; F268-F290 HydrophobicContact CE1-CD2 3.97Å; F268-F290 HydrophobicContact CE1-CE2 4.25Å; F268-F290 AromaticContact CE1-CG 3.96Å; F268-F290 HydrophobicContact CE1-CG 3.96Å; F268-F290 HydrophobicContact CE1-CZ 4.49Å; T277-F290 HydrophobicContact CG2-CD2 4.49Å; T278-F290 CarbonylContact O-C 3.23Å; T278-F290 WeakPolarHBondContact O-CA 3.49Å; T278-F290 WeakPolarHBondContact O-CB 3.06Å; V279-F290 HydrophobicContact CG2-CB 4.29Å; F290-F292 HydrophobicContact CD2-CD1 4.23Å; F290-F292 AromaticContact CE2-CD1 3.85Å; F290-F292 HydrophobicContact CE2-CD1 3.85Å; F290-F292 HydrophobicContact CE2-CE1 4.26Å; F290-L310 HydrophobicContact CE2-CD1 4.21Å; F290-L310 HydrophobicContact CE2-CD2 4.43Å; F290-L310 HydrophobicContact CZ-CD1 4.03Å; F290-L310 HydrophobicContact CZ-CD2 3.87Å; F290-L310 HydrophobicContact CZ-CG 4.43Å |
| 291 | S | 95.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 145.9 | 175.1 | 64.4 | 0 | 0 | 0 | 0 | 109.3 | K230 V231 T277 T278 | K230-S291 WeakPolarHBondContact CE-OG 3.47Å; V231-S291 CarbonylContact O-C 3.48Å; V231-S291 WeakPolarHBondContact O-CA 3.38Å; T277-S291 CarbonylContact C-O 3.52Å; T277-S291 WeakPolarHBondContact CA-O 3.33Å; T278-S291 PolarHBondContact N-O 2.96Å; T278-S291 PolarHBondContact O-N 3.34Å |
| 292 | F | 95.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 155.3 | 177 | 66.4 | -79.6 | 0 | 0 | 0 | 110.1 | V231 A233 L267 Q276 T277 F290 V294 L310 I359 | V231-F292 HydrophobicContact CB-CE1 4.32Å; V231-F292 HydrophobicContact CB-CZ 4.32Å; V231-F292 HydrophobicContact CG1-CE1 4.13Å; V231-F292 HydrophobicContact CG1-CZ 4.25Å; V231-F292 PolarHBondContact N-O 3.22Å; V231-F292 PolarHBondContact O-N 3.02Å; A233-F292 HydrophobicContact CB-CE1 4.31Å; L267-F292 HydrophobicContact CD1-CB 4.32Å; L267-F292 HydrophobicContact CD1-CD1 4Å; L267-F292 HydrophobicContact CD1-CD2 4.27Å; L267-F292 HydrophobicContact CD1-CE1 4.38Å; L267-F292 HydrophobicContact CD1-CG 3.94Å; L267-F292 HydrophobicContact CD2-CB 4.13Å; L267-F292 HydrophobicContact CD2-CD2 4.15Å; L267-F292 HydrophobicContact CD2-CG 4.22Å; Q276-F292 WeakPolarHBondContact O-CA 3.02Å; T277-F292 HydrophobicContact CG2-CB 4.44Å; F290-F292 HydrophobicContact CD2-CD1 4.23Å; F290-F292 AromaticContact CE2-CD1 3.85Å; F290-F292 HydrophobicContact CE2-CD1 3.85Å; F290-F292 HydrophobicContact CE2-CE1 4.26Å; F292-V294 HydrophobicContact CE2-CG1 4.28Å; F292-L310 HydrophobicContact CE1-CD1 4.35Å; F292-L310 HydrophobicContact CE1-CD2 4.07Å; F292-L310 HydrophobicContact CZ-CD2 4.48Å; F292-I359 HydrophobicContact CE2-CD1 4.41Å; F292-I359 HydrophobicContact CZ-CD1 3.76Å |
| 293 | E | 94.3 | Very high | 86.5 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133.6 | 171.9 | -66.3 | -168.7 | 176.3 | 0 | 0 | 111 | K228 Q276 F295 | K228-E293 WeakPolarHBondContact CB-OE2 3.21Å; Q276-E293 HydrophobicContact CB-CB 4.03Å; Q276-E293 HydrophobicContact CB-CG 4.19Å; Q276-E293 PolarHBondContact O-N 3.27Å; Q276-E293 PolarHBondContact OE1-OE1 3.04Å; Q276-E293 PolarHBondContact OE1-OE2 3.09Å; Q276-E293 VanDerWaalsContact OE1-OE2 3.1Å; E293-F295 WeakPolarHBondContact O-CD1 3.5Å |
| 294 | V | 91.1 | Very high | 86.1 | Confident | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | trans | -72.3 | 141.4 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | L225 P226 K228 T229 V231 F292 I359 T361 | L225-V294 HydrophobicContact CB-CG2 4.16Å; L225-V294 HydrophobicContact CD1-CG1 4.21Å; P226-V294 WeakPolarHBondContact O-CG2 3.37Å; K228-V294 PolarHBondContact N-O 3.12Å; T229-V294 WeakPolarHBondContact O-CG2 3.23Å; T229-V294 PolarHBondContact O-N 3.24Å; V231-V294 HydrophobicContact CB-CG1 4.19Å; V231-V294 HydrophobicContact CG2-CG1 3.41Å; V231-V294 VanDerWaalsContact CG2-CG1 3.41Å; F292-V294 HydrophobicContact CE2-CG1 4.28Å; V294-I359 HydrophobicContact CG1-CG2 4.04Å; V294-T361 HydrophobicContact CB-CG2 3.74Å; V294-T361 HydrophobicContact CG2-CG2 3.87Å | ||
| 295 | F | 91.2 | Very high | 85.7 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | trans | -134.4 | 175.1 | -177.7 | 55.9 | -94.8 | 0 | 0 | 0 | 110.4 | T253 Y265 L267 E293 F297 V308 T361 | T253-F295 HydrophobicContact CG2-CZ 4.24Å; T253-F295 WeakPolarHBondContact OG1-CZ 3.47Å; Y265-F295 AromaticContact CD1-CE1 3.59Å; Y265-F295 HydrophobicContact CD1-CE1 3.59Å; Y265-F295 HydrophobicContact CD1-CE2 4.12Å; Y265-F295 AromaticContact CD1-CZ 3.27Å; Y265-F295 HydrophobicContact CD1-CZ 3.27Å; Y265-F295 AromaticContact CE1-CE1 3.88Å; Y265-F295 HydrophobicContact CE1-CE1 3.88Å; Y265-F295 HydrophobicContact CE1-CZ 4Å; Y265-F295 HydrophobicContact CG-CE1 4.3Å; Y265-F295 AromaticContact CG-CE2 4Å; Y265-F295 HydrophobicContact CG-CE2 4Å; Y265-F295 AromaticContact CG-CZ 3.58Å; Y265-F295 HydrophobicContact CG-CZ 3.58Å; L267-F295 HydrophobicContact CD2-CE1 4.09Å; E293-F295 WeakPolarHBondContact O-CD1 3.5Å; F295-F297 HydrophobicContact CE2-CD2 4.45Å; F295-F297 HydrophobicContact CE2-CE1 4.32Å; F295-F297 AromaticContact CE2-CE2 4Å; F295-F297 HydrophobicContact CE2-CE2 4Å; F295-F297 AromaticContact CE2-CZ 3.92Å; F295-F297 HydrophobicContact CE2-CZ 3.92Å; F295-V308 WeakPolarHBondContact O-CG2 3.45Å; F295-T361 WeakPolarHBondContact O-CG2 3.41Å | ||
| 296 | R | 88.7 | Confident | 85.3 | Confident | 95 Ų | 95 | 65.8 Ų | 65.8 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | trans | -111.7 | 143.9 | 172.1 | 77.7 | 171.5 | -173.4 | 76.2 | 0.2 | 111.8 | L227 K301 | L227-R296 HydrophobicContact CD2-CB 4.17Å; R296-K301 VanDerWaalsContact NH1-CA 3.3Å | ||
| 297 | F | 84.9 | Confident | 85.4 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | trans | -73.1 | 143.2 | 167.9 | -77.4 | -80 | 0 | 0 | 0 | 111.2 | T253 T254 P255 I263 F295 K299 H300 S306 V308 | T253-F297 WeakPolarHBondContact OG1-CZ 3.09Å; T254-F297 WeakPolarHBondContact O-CE2 3.38Å; P255-F297 HydrophobicContact CB-CB 4.3Å; P255-F297 HydrophobicContact CB-CD2 3.79Å; P255-F297 HydrophobicContact CB-CE2 4.24Å; P255-F297 HydrophobicContact CB-CG 3.95Å; I263-F297 HydrophobicContact CG2-CD1 3.78Å; I263-F297 HydrophobicContact CG2-CE1 3.9Å; F295-F297 HydrophobicContact CE2-CD2 4.45Å; F295-F297 HydrophobicContact CE2-CE1 4.32Å; F295-F297 AromaticContact CE2-CE2 4Å; F295-F297 HydrophobicContact CE2-CE2 4Å; F295-F297 AromaticContact CE2-CZ 3.92Å; F295-F297 HydrophobicContact CE2-CZ 3.92Å; F297-K299 HydrophobicContact CB-CB 4.43Å; F297-K299 PolarHBondContact O-N 3.47Å; F297-H300 PolarHBondContact O-N 2.67Å; F297-H300 VanDerWaalsContact O-N 3.12Å; F297-S306 PolarHBondContact N-OG 3.49Å; F297-V308 HydrophobicContact CD2-CG2 4.07Å; F297-V308 HydrophobicContact CE2-CB 4.43Å; F297-V308 HydrophobicContact CE2-CG1 4.2Å; F297-V308 HydrophobicContact CE2-CG2 4.03Å | ||
| 298 | V | 82.1 | Confident | 85.3 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 70% | 0.697 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -63.8 | -29.3 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | H300 K301 | V298-H300 PolarHBondContact O-N 3.06Å; V298-H300 VanDerWaalsContact O-N 3.1Å; V298-K301 WeakPolarHBondContact O-CB 3.31Å; V298-K301 PolarHBondContact O-N 3.05Å |
| 299 | K | 75.6 | Confident | 85.1 | Confident | 127 Ų | 127 | 62.1 Ų | 62.1 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -51.4 | -33.3 | 172.4 | -167.6 | -178.2 | -168.9 | 171.1 | 0 | 112.7 | P255 I263 F297 | P255-K299 HydrophobicContact CB-CD 4.31Å; P255-K299 HydrophobicContact CG-CD 4.11Å; I263-K299 HydrophobicContact CD1-CB 4.47Å; I263-K299 HydrophobicContact CD1-CD 3.79Å; I263-K299 HydrophobicContact CD1-CG 4.4Å; F297-K299 HydrophobicContact CB-CB 4.43Å; F297-K299 PolarHBondContact O-N 3.47Å |
| 300 | H | 74.7 | Confident | 84.8 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -96.9 | 21.4 | 179.6 | -55.1 | 146.6 | 0 | 0 | 0 | 112.9 | F297 V298 N302 Q303 S306 T307 | F297-H300 PolarHBondContact O-N 2.67Å; F297-H300 VanDerWaalsContact O-N 3.12Å; V298-H300 PolarHBondContact O-N 3.06Å; V298-H300 VanDerWaalsContact O-N 3.1Å; H300-N302 PolarHBondContact O-N 3.43Å; H300-N302 VanDerWaalsContact O-N 3.16Å; H300-Q303 HydrophobicContact CB-CB 4.3Å; H300-Q303 PolarHBondContact CD2-OE1 2.77Å; H300-Q303 PolarHBondContact O-N 2.86Å; H300-S306 WeakPolarHBondContact CB-OG 3.21Å; H300-S306 PolarHBondContact ND1-OG 2.94Å; H300-T307 PolarHBondContact CE1-OG1 3.19Å |
| 301 | K | 76.2 | Confident | 84.5 | Confident | 141 Ų | 141 | 59.2 Ų | 59.2 | 61% | 0.613 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -33.9 | -177.2 | -179.2 | -178.2 | 177.8 | -173.5 | 0 | 114.1 | R296 V298 | R296-K301 VanDerWaalsContact NH1-CA 3.3Å; V298-K301 WeakPolarHBondContact O-CB 3.31Å; V298-K301 PolarHBondContact O-N 3.05Å |
| 302 | N | 76.6 | Confident | 84 | Confident | 157 Ų | 157 | 59.1 Ų | 59.1 | 84% | 0.84 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 9.8 | -178.1 | -58.1 | -22.8 | 0 | 0 | 0 | 112.6 | H300 | H300-N302 PolarHBondContact O-N 3.43Å; H300-N302 VanDerWaalsContact O-N 3.16Å |
| 303 | Q | 76.6 | Confident | 83.5 | Confident | 113 Ų | 113 | 59.3 Ų | 59.3 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -110.1 | 142.2 | 178.7 | -61.3 | 177.5 | 5.9 | 0 | 0 | 109.1 | H300 M305 | H300-Q303 HydrophobicContact CB-CB 4.3Å; H300-Q303 PolarHBondContact CD2-OE1 2.77Å; H300-Q303 PolarHBondContact O-N 2.86Å; Q303-M305 WeakPolarHBondContact CB-O 3.44Å; Q303-M305 PolarHBondContact O-N 2.86Å |
| 304 | K | 75.8 | Confident | 82.8 | Confident | 181 Ų | 181 | 56.7 Ų | 56.7 | 79% | 0.787 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -65.5 | -21.9 | 177.5 | -68.9 | -170.8 | 175.2 | -172 | 0 | 112.9 | ||
| 305 | M | 78.4 | Confident | 82.1 | Confident | 86 Ų | 86 | 58.6 Ų | 58.6 | 42% | 0.424 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.7 | -178 | -64.1 | 173.7 | -179.2 | 0 | 0 | 110 | Q303 I360 T361 | Q303-M305 WeakPolarHBondContact CB-O 3.44Å; Q303-M305 PolarHBondContact O-N 2.86Å; M305-I360 HydrophobicContact CB-CG2 4.05Å; M305-I360 HydrophobicContact CG-CG2 4.26Å; M305-I360 HydrophobicContact SD-CG2 4.07Å; M305-T361 CarbonylContact C-O 3.49Å; M305-T361 VanDerWaalsContact CA-O 3.27Å; M305-T361 WeakPolarHBondContact CA-O 3.3Å |
| 306 | S | 80.6 | Confident | 81.2 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.9 | 174.9 | -150.1 | 0 | 0 | 0 | 0 | 109.3 | F297 H300 I360 T361 | F297-S306 PolarHBondContact N-OG 3.49Å; H300-S306 WeakPolarHBondContact CB-OG 3.21Å; H300-S306 PolarHBondContact ND1-OG 2.94Å; S306-I360 WeakPolarHBondContact O-CA 3.4Å; S306-T361 VanDerWaalsContact CB-OG1 3.3Å; S306-T361 WeakPolarHBondContact CB-OG1 3.39Å; S306-T361 PolarHBondContact N-O 3.1Å; S306-T361 PolarHBondContact O-N 3.01Å; S306-T361 PolarHBondContact O-OG1 3.29Å |
| 307 | T | 84.1 | Confident | 80.2 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 31% | 0.307 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 136 | 169.8 | 50.7 | 0 | 0 | 0 | 0 | 110.4 | P255 H300 P358 I359 | P255-T307 PolarHBondContact O-OG1 3.02Å; H300-T307 PolarHBondContact CE1-OG1 3.19Å; T307-P358 HydrophobicContact CG2-CB 4.49Å; T307-I359 CarbonylContact C-O 3.45Å; T307-I359 WeakPolarHBondContact CA-O 3.09Å |
| 308 | V | 87.5 | Confident | 79.5 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.5 | 176 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | T253 F295 F297 I359 | T253-V308 HydrophobicContact CG2-CG1 3.89Å; F295-V308 WeakPolarHBondContact O-CG2 3.45Å; F297-V308 HydrophobicContact CD2-CG2 4.07Å; F297-V308 HydrophobicContact CE2-CB 4.43Å; F297-V308 HydrophobicContact CE2-CG1 4.2Å; F297-V308 HydrophobicContact CE2-CG2 4.03Å; V308-I359 HydrophobicContact CB-CB 4.22Å; V308-I359 PolarHBondContact N-O 2.81Å; V308-I359 WeakPolarHBondContact O-CA 3.36Å; V308-I359 WeakPolarHBondContact O-CB 3.31Å; V308-I359 PolarHBondContact O-N 3.44Å |
| 309 | F | 86.7 | Confident | 79.1 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.1 | 171.3 | -71 | -96.9 | 0 | 0 | 0 | 108.8 | T253 T254 S256 G257 P358 | T253-F309 CarbonylContact C-O 3.57Å; T253-F309 WeakPolarHBondContact CA-O 3.34Å; T253-F309 WeakPolarHBondContact CB-O 3.3Å; T254-F309 PolarHBondContact N-O 3.39Å; T254-F309 PolarHBondContact O-N 3.37Å; S256-F309 WeakPolarHBondContact O-CD2 3.39Å; G257-F309 VanDerWaalsContact N-CE2 3.33Å; F309-P358 HydrophobicContact CE1-CB 3.98Å; F309-P358 HydrophobicContact CE2-CB 4.01Å; F309-P358 HydrophobicContact CZ-CB 3.62Å; F309-P358 HydrophobicContact CZ-CG 4.35Å |
| 310 | L | 90.1 | Very high | 79 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.9 | 178.2 | 175.1 | 67.5 | 0 | 0 | 0 | 109.1 | L206 L208 A233 T253 L267 F290 F292 S355 A356 | L206-L310 HydrophobicContact CD1-CD2 4.16Å; L206-L310 HydrophobicContact CD2-CD2 4.05Å; L206-L310 HydrophobicContact CD2-CG 4.1Å; L206-L310 HydrophobicContact CG-CD2 4.41Å; L208-L310 HydrophobicContact CD2-CD2 3.84Å; A233-L310 HydrophobicContact CB-CD2 3.83Å; T253-L310 HydrophobicContact CG2-CD1 4.04Å; L267-L310 HydrophobicContact CD1-CD1 3.43Å; L267-L310 VanDerWaalsContact CD1-CD1 3.43Å; F290-L310 HydrophobicContact CE2-CD1 4.21Å; F290-L310 HydrophobicContact CE2-CD2 4.43Å; F290-L310 HydrophobicContact CZ-CD1 4.03Å; F290-L310 HydrophobicContact CZ-CD2 3.87Å; F290-L310 HydrophobicContact CZ-CG 4.43Å; F292-L310 HydrophobicContact CE1-CD1 4.35Å; F292-L310 HydrophobicContact CE1-CD2 4.07Å; F292-L310 HydrophobicContact CZ-CD2 4.48Å; L310-S355 CarbonylContact O-C 3.58Å; L310-S355 WeakPolarHBondContact O-CA 3.33Å; L310-A356 PolarHBondContact N-O 3.21Å; L310-A356 PolarHBondContact O-N 3.25Å |
| 311 | H | 87.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136.4 | 177.3 | -58.8 | -71.8 | 0 | 0 | 0 | 109.4 | C251 Y252 T254 V353 L354 S355 | C251-H311 CarbonylContact C-O 3.58Å; C251-H311 VanDerWaalsContact CA-O 3.23Å; C251-H311 WeakPolarHBondContact CA-O 3.34Å; Y252-H311 HydrophobicContact CD1-CB 4.07Å; Y252-H311 HydrophobicContact CD2-CB 4.12Å; Y252-H311 HydrophobicContact CE1-CB 3.67Å; Y252-H311 HydrophobicContact CE2-CB 3.72Å; Y252-H311 AromaticContact CE2-CD2 3.85Å; Y252-H311 AromaticContact CE2-CG 4Å; Y252-H311 HydrophobicContact CG-CB 4.3Å; Y252-H311 VanDerWaalsContact CZ-CB 3.49Å; Y252-H311 PolarHBondContact N-O 2.88Å; Y252-H311 PolarHBondContact O-N 2.84Å; Y252-H311 VanDerWaalsContact O-O 3.06Å; T254-H311 PolarHBondContact OG1-CD2 3.18Å; T254-H311 VanDerWaalsContact OG1-CD2 3.27Å; T254-H311 PolarHBondContact OG1-NE2 3.31Å; H311-V353 HydrophobicContact CB-CG1 4.4Å; H311-L354 CarbonylContact C-O 3.56Å; H311-L354 VanDerWaalsContact CA-O 3.3Å; H311-L354 WeakPolarHBondContact CA-O 3.35Å; H311-S355 PolarHBondContact CE1-OG 2.97Å; H311-S355 WeakPolarHBondContact ND1-CB 3.27Å; H311-S355 PolarHBondContact ND1-OG 3.25Å |
| 312 | C | 86.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 124.3 | 177 | -75 | 0 | 0 | 0 | 0 | 110.5 | L206 Y250 C251 T314 V353 L354 | L206-C312 HydrophobicContact CD2-CB 4.45Å; Y250-C312 CarbonylContact O-C 3.52Å; Y250-C312 WeakPolarHBondContact O-CA 3.34Å; C251-C312 HydrophobicContact CB-CB 4.22Å; C251-C312 WeakPolarHBondContact CB-SG 3.26Å; C251-C312 WeakPolarHBondContact SG-CB 3.4Å; C251-C312 CovalentContact SG-SG 2.05Å; C251-C312 PolarHBondContact SG-SG 2.67Å; C312-T314 HydrophobicContact CB-CG2 3.93Å; C312-V353 WeakPolarHBondContact O-CA 3.33Å; C312-L354 PolarHBondContact N-O 3.23Å; C312-L354 PolarHBondContact O-N 2.9Å |
| 313 | V | 84.8 | Confident | 78.7 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114.3 | 167.6 | -168.7 | 0 | 0 | 0 | 0 | 108.2 | D249 Y250 Y252 W343 A352 V353 | D249-V313 PolarHBondContact N-O 3.47Å; Y250-V313 HydrophobicContact CD1-CG2 3.87Å; Y250-V313 HydrophobicContact CG-CG2 4.48Å; Y250-V313 PolarHBondContact N-O 2.89Å; Y250-V313 PolarHBondContact O-N 3.49Å; Y252-V313 HydrophobicContact CE1-CG2 4.3Å; V313-W343 HydrophobicContact CB-CH2 4.42Å; V313-W343 HydrophobicContact CG1-CH2 4.23Å; V313-W343 HydrophobicContact CG2-CH2 4.1Å; V313-W343 HydrophobicContact CG2-CZ3 4Å; V313-A352 CarbonylContact C-O 3.5Å; V313-A352 WeakPolarHBondContact CA-O 3.34Å; V313-V353 HydrophobicContact CG2-CG2 4.17Å |
| 314 | T | 79.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.2 | -171.3 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | V235 L247 M248 C312 S351 A352 L354 | V235-T314 HydrophobicContact CG1-CG2 4.18Å; V235-T314 HydrophobicContact CG2-CG2 3.98Å; L247-T314 CarbonylContact O-C 3.56Å; L247-T314 VanDerWaalsContact O-CA 3.29Å; L247-T314 WeakPolarHBondContact O-CA 3.45Å; M248-T314 HydrophobicContact CG-CG2 4.06Å; C312-T314 HydrophobicContact CB-CG2 3.93Å; T314-S351 CarbonylContact O-C 3.4Å; T314-S351 WeakPolarHBondContact O-CA 3.42Å; T314-A352 PolarHBondContact N-O 3.24Å; T314-A352 PolarHBondContact O-N 3.16Å; T314-A352 PolarHBondContact OG1-O 3.34Å; T314-A352 VanDerWaalsContact OG1-O 3.12Å; T314-L354 HydrophobicContact CG2-CD1 3.99Å; T314-L354 WeakPolarHBondContact OG1-CD1 3.43Å |
| 315 | K | 76.8 | Confident | 78.1 | Confident | 46 Ų | 46 | 45.4 Ų | 45.4 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 152.2 | 179.3 | -48.2 | -175 | -164.5 | 175.3 | 0 | 107.9 | L247 D249 S348 | L247-K315 PolarHBondContact N-O 2.86Å; L247-K315 PolarHBondContact O-N 3.09Å; D249-K315 WeakPolarHBondContact OD2-CE 3.33Å; D249-K315 IonicContact OD2-NZ 3.42Å; D249-K315 PolarHBondContact OD2-NZ 3.22Å; K315-S348 WeakPolarHBondContact CE-OG 3.38Å; K315-S348 PolarHBondContact NZ-OG 2.86Å |
| 316 | L | 72.8 | Confident | 77.7 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 14% | 0.141 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 138.2 | 163.8 | -69.1 | -179.6 | 0 | 0 | 0 | 109.6 | F200 L204 L240 W244 N245 V246 | F200-L316 HydrophobicContact CB-CD1 3.32Å; F200-L316 HydrophobicContact CB-CG 4.31Å; F200-L316 HydrophobicContact CD1-CD1 4.16Å; F200-L316 HydrophobicContact CD2-CB 4.33Å; F200-L316 HydrophobicContact CD2-CD1 3.42Å; F200-L316 VanDerWaalsContact CD2-CD1 3.42Å; F200-L316 HydrophobicContact CD2-CD2 4.5Å; F200-L316 HydrophobicContact CD2-CG 3.43Å; F200-L316 VanDerWaalsContact CD2-CG 3.43Å; F200-L316 HydrophobicContact CE2-CB 4.45Å; F200-L316 HydrophobicContact CE2-CD1 4.3Å; F200-L316 HydrophobicContact CE2-CG 3.85Å; F200-L316 HydrophobicContact CG-CB 4.48Å; F200-L316 HydrophobicContact CG-CD1 3.34Å; F200-L316 HydrophobicContact CG-CG 3.82Å; L204-L316 HydrophobicContact CD2-CD2 4.19Å; L240-L316 HydrophobicContact CD1-CD1 3.61Å; L240-L316 HydrophobicContact CD1-CD2 4Å; L240-L316 HydrophobicContact CD1-CG 4.47Å; L240-L316 HydrophobicContact CD2-CD1 4.11Å; W244-L316 HydrophobicContact CE3-CB 4.04Å; N245-L316 WeakPolarHBondContact O-CA 3.39Å; N245-L316 WeakPolarHBondContact O-CD2 3.43Å; V246-L316 HydrophobicContact CG2-CD2 4.06Å |
| 317 | C | 68.1 | Low | 77.1 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.5 | 171.9 | 55 | 0 | 0 | 0 | 0 | 109.2 | W244 N245 C322 L325 | W244-C317 CarbonylContact C-O 3.59Å; W244-C317 WeakPolarHBondContact CA-O 3.37Å; N245-C317 PolarHBondContact N-O 3.25Å; N245-C317 PolarHBondContact O-N 3.48Å; C317-C322 VanDerWaalsContact C-SG 3.52Å; C317-C322 HydrophobicContact CB-CB 4.01Å; C317-C322 WeakPolarHBondContact CB-SG 3.42Å; C317-C322 PolarHBondContact O-SG 2.92Å; C317-C322 WeakPolarHBondContact SG-CB 3.49Å; C317-C322 CovalentContact SG-SG 2.02Å; C317-C322 PolarHBondContact SG-SG 3.37Å; C317-L325 HydrophobicContact CB-CD1 3.54Å |
| 318 | R | 69.9 | Low | 76.3 | Confident | 122 Ų | 122 | 52.6 Ų | 52.6 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 140.1 | 170.1 | -175.9 | 173.5 | 61.2 | 167.5 | 4.7 | 108.5 | R243 W244 D320 D321 C322 | R243-R318 WeakPolarHBondContact O-CA 3.34Å; W244-R318 HydrophobicContact CZ3-CB 4.48Å; R318-D320 PolarHBondContact O-N 3.4Å; R318-D321 HydrophobicContact CB-CB 4.42Å; R318-D321 IonicContact CZ-OD1 3.67Å; R318-D321 IonicContact CZ-OD2 3.1Å; R318-D321 IonicContact NE-OD1 2.89Å; R318-D321 IonicContact NE-OD2 3.72Å; R318-D321 PolarHBondContact NE-OD2 3.5Å; R318-D321 VanDerWaalsContact NH2-CG 3.29Å; R318-D321 IonicContact NH2-OD1 3.18Å; R318-D321 PolarHBondContact NH2-OD1 3.04Å; R318-D321 IonicContact NH2-OD2 2.81Å; R318-D321 PolarHBondContact NH2-OD2 3.43Å; R318-D321 PolarHBondContact O-N 2.64Å; R318-C322 PolarHBondContact O-N 2.95Å; R318-C322 PolarHBondContact O-SG 3.46Å |
| 319 | A | 73.5 | Confident | 75.5 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | -39.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R243 | R243-A319 PolarHBondContact O-N 2.9Š|
| 320 | D | 72.4 | Confident | 74.2 | Confident | 119 Ų | 119 | 58.6 Ų | 58.6 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -27.6 | 179.2 | -54.1 | -43 | 0 | 0 | 0 | 113.5 | R318 F324 | R318-D320 PolarHBondContact O-N 3.4Å; D320-F324 WeakPolarHBondContact O-CD2 3.39Å; D320-F324 WeakPolarHBondContact O-CE2 3.42Å |
| 321 | D | 71.4 | Confident | 72.6 | Confident | 59 Ų | 59 | 68 Ų | 68 | 32% | 0.316 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -23.1 | -175.7 | -56.9 | -30.5 | 0 | 0 | 0 | 112.3 | R318 P323 F324 L325 | R318-D321 HydrophobicContact CB-CB 4.42Å; R318-D321 IonicContact CZ-OD1 3.67Å; R318-D321 IonicContact CZ-OD2 3.1Å; R318-D321 IonicContact NE-OD1 2.89Å; R318-D321 IonicContact NE-OD2 3.72Å; R318-D321 PolarHBondContact NE-OD2 3.5Å; R318-D321 VanDerWaalsContact NH2-CG 3.29Å; R318-D321 IonicContact NH2-OD1 3.18Å; R318-D321 PolarHBondContact NH2-OD1 3.04Å; R318-D321 IonicContact NH2-OD2 2.81Å; R318-D321 PolarHBondContact NH2-OD2 3.43Å; R318-D321 PolarHBondContact O-N 2.64Å; D321-P323 VanDerWaalsContact C-CD 3.42Å; D321-F324 PolarHBondContact O-N 2.88Å; D321-L325 PolarHBondContact O-N 3.34Å |
| 322 | C | 73.6 | Confident | 70.7 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -52.5 | -42.4 | -178.2 | -63 | 0 | 0 | 0 | 0 | 114.3 | G283 C317 R318 F324 L325 M326 | G283-C322 VanDerWaalsContact O-CB 3.26Å; G283-C322 WeakPolarHBondContact O-CB 3.45Å; C317-C322 VanDerWaalsContact C-SG 3.52Å; C317-C322 HydrophobicContact CB-CB 4.01Å; C317-C322 WeakPolarHBondContact CB-SG 3.42Å; C317-C322 PolarHBondContact O-SG 2.92Å; C317-C322 WeakPolarHBondContact SG-CB 3.49Å; C317-C322 CovalentContact SG-SG 2.02Å; C317-C322 PolarHBondContact SG-SG 3.37Å; R318-C322 PolarHBondContact O-N 2.95Å; R318-C322 PolarHBondContact O-SG 3.46Å; C322-F324 PolarHBondContact O-N 2.99Å; C322-L325 PolarHBondContact O-N 2.89Å; C322-M326 PolarHBondContact O-N 3.43Å |
| 323 | P | 76.3 | Confident | 69.2 | Low | 78 Ų | 78 | 87.4 Ų | 87.4 | 51% | 0.506 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.4 | -29.4 | 178 | -23.7 | 35.8 | 0 | 0 | 0 | 113.9 | D321 | D321-P323 VanDerWaalsContact C-CD 3.42Å |
| 324 | F | 70.7 | Confident | 67.3 | Low | 175 Ų | 175 | 97.9 Ų | 97.9 | 77% | 0.768 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -83.1 | -21.2 | -179.9 | -58 | -79.7 | 0 | 0 | 0 | 112.9 | D320 D321 C322 | D320-F324 WeakPolarHBondContact O-CD2 3.39Å; D320-F324 WeakPolarHBondContact O-CE2 3.42Å; D321-F324 PolarHBondContact O-N 2.88Å; C322-F324 PolarHBondContact O-N 2.99Å |
| 325 | L | 69.1 | Low | 65.7 | Low | 106 Ų | 106 | 108.8 Ų | 108.8 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -85.1 | -19.9 | 175.4 | -65.6 | 170.7 | 0 | 0 | 0 | 112.5 | L247 C317 D321 C322 | L247-L325 HydrophobicContact CD2-CB 3.98Å; C317-L325 HydrophobicContact CB-CD1 3.54Å; D321-L325 PolarHBondContact O-N 3.34Å; C322-L325 PolarHBondContact O-N 2.89Å |
| 326 | M | 70.3 | Confident | 63.9 | Low | 64 Ų | 64 | 113.3 Ų | 113.3 | 32% | 0.315 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -77.5 | 127.7 | 172.7 | -70.6 | -168.7 | -58.1 | 0 | 0 | 110.1 | L247 C322 | L247-M326 HydrophobicContact CD1-CG 3.75Å; L247-M326 HydrophobicContact CD1-SD 4.38Å; C322-M326 PolarHBondContact O-N 3.43Å |
| 327 | P | 68.3 | Low | 62.6 | Low | 64 Ų | 64 | 117.3 Ų | 117.3 | 42% | 0.416 | 58% | 0.584 | S | S | . | * | trans | -65 | 139.6 | 176.4 | 20.2 | -24.5 | 0 | 0 | 0 | 110.9 | S270 C329 | S270-P327 VanDerWaalsContact CB-CG 3.47Å; S270-P327 WeakPolarHBondContact OG-CG 3.41Å; P327-C329 PolarHBondContact O-N 2.9Å; P327-C329 PolarHBondContact O-SG 3.4Å | ||
| 328 | I | 68.4 | Low | 61.3 | Low | 161 Ų | 161 | 120.6 Ų | 120.6 | 83% | 0.826 | 62% | 0.618 | S | S | * | * | trans | -74.9 | 99.9 | 175.8 | -57.6 | 172.4 | 0 | 0 | 0 | 107.8 | S330 | I328-S330 PolarHBondContact O-N 2.73Š| ||
| 329 | C | 69.2 | Low | 59.7 | Low | 78 Ų | 78 | 124.8 Ų | 124.8 | 53% | 0.527 | 63% | 0.634 | S | S | . | * | trans | -74.8 | 72.5 | 176.1 | -43.9 | 0 | 0 | 0 | 0 | 110.1 | C271 P327 | C271-C329 WeakPolarHBondContact CA-SG 3.39Å; C271-C329 HydrophobicContact CB-CB 3.73Å; C271-C329 WeakPolarHBondContact CB-SG 3.27Å; C271-C329 WeakPolarHBondContact SG-CA 3Å; C271-C329 WeakPolarHBondContact SG-CB 3.42Å; C271-C329 CovalentContact SG-SG 2.03Å; C271-C329 PolarHBondContact SG-SG 2.9Å; P327-C329 PolarHBondContact O-N 2.9Å; P327-C329 PolarHBondContact O-SG 3.4Å | ||
| 330 | S | 60 | Low | 58 | Low | 85 Ų | 85 | 135.1 Ų | 135.1 | 59% | 0.594 | 66% | 0.664 | S | S | * | * | trans | -80.7 | 128.9 | 171.1 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | I328 R332 | I328-S330 PolarHBondContact O-N 2.73Å; S330-R332 PolarHBondContact O-N 2.72Å | ||
| 331 | H | 55.8 | Low | 56.3 | Low | 196 Ų | 196 | 133 Ų | 133 | 91% | 0.907 | 66% | 0.656 | S | S | * | * | trans | -67.5 | 37.5 | 176.9 | -71.5 | -79.9 | 0 | 0 | 0 | 113.9 | E333 | H331-E333 PolarHBondContact O-N 3.33Š| ||
| 332 | R | 47.3 | Very low | 54.6 | Low | 228 Ų | 228 | 136.7 Ų | 136.7 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | trans | -87 | 93.9 | 165.7 | -101.9 | -177.1 | 174.1 | 168.8 | -0.8 | 108.2 | S330 R334 | S330-R332 PolarHBondContact O-N 2.72Å; R332-R334 VanDerWaalsContact C-N 3.26Å; R332-R334 PolarHBondContact O-N 2.8Å | ||
| 333 | E | 54.8 | Low | 53 | Low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 70% | 0.7 | S | S | * | * | trans | -55.4 | 90.7 | 165 | -167.3 | -179.6 | -156.8 | 0 | 0 | 108.9 | H331 R335 | H331-E333 PolarHBondContact O-N 3.33Å; E333-R335 PolarHBondContact O-N 2.84Å | ||
| 334 | R | 44.8 | Very low | 50.9 | Low | 224 Ų | 224 | 141.5 Ų | 141.5 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | trans | -81.9 | 105 | 170.2 | -142.9 | 177.2 | -169.2 | 139.2 | 0.3 | 105.9 | R332 D336 | R332-R334 VanDerWaalsContact C-N 3.26Å; R332-R334 PolarHBondContact O-N 2.8Å; R334-D336 PolarHBondContact O-N 2.89Å | ||
| 335 | R | 46.8 | Very low | 49.2 | Very low | 230 Ų | 230 | 138.5 Ų | 138.5 | 87% | 0.868 | 70% | 0.701 | S | S | * | * | trans | -55.8 | 85.2 | 166.3 | -79.2 | 176.7 | -97.9 | 160.6 | -8.1 | 109.3 | E333 | E333-R335 PolarHBondContact O-N 2.84Š| ||
| 336 | D | 39 | Very low | 47.4 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -138.1 | 87.6 | 155.9 | -86 | -39.2 | 0 | 0 | 0 | 107.3 | R334 G338 | R334-D336 PolarHBondContact O-N 2.89Å; D336-G338 PolarHBondContact O-N 2.93Å | ||
| 337 | A | 45.6 | Very low | 45.7 | Very low | 111 Ų | 111 | 143 Ų | 143 | 92% | 0.917 | 73% | 0.729 | S | S | * | * | trans | -61.9 | 115.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 338 | G | 41.1 | Very low | 44.2 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | trans | 143.6 | 40.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | D336 | D336-G338 PolarHBondContact O-N 2.93Š| ||
| 339 | R | 35.6 | Very low | 42.9 | Very low | 210 Ų | 210 | 140.4 Ų | 140.4 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | trans | -164.4 | 87.4 | 152.2 | -126.7 | 170.1 | 160.7 | -176.6 | -7.8 | 110 | T341 | R339-T341 HydrophobicContact CB-CG2 3.99Å; R339-T341 VanDerWaalsContact CD-CG2 3.42Å; R339-T341 HydrophobicContact CG-CG2 3.51Å; R339-T341 PolarHBondContact O-N 2.84Å | ||
| 340 | R | 38.6 | Very low | 42.1 | Very low | 255 Ų | 255 | 138.8 Ų | 138.8 | 96% | 0.962 | 72% | 0.723 | S | S | * | * | trans | -63.9 | 82.4 | 138.3 | -81.7 | -176.5 | 174 | 172.9 | -2.5 | 104.1 | T342 | R340-T342 VanDerWaalsContact C-N 3.33Å; R340-T342 PolarHBondContact O-N 2.85Å | ||
| 341 | T | 36.4 | Very low | 42.3 | Very low | 76 Ų | 76 | 136.5 Ų | 136.5 | 47% | 0.466 | 71% | 0.707 | S | S | . | * | trans | -54.7 | 107 | 173.7 | 20.3 | 0 | 0 | 0 | 0 | 104.9 | R339 W343 | R339-T341 HydrophobicContact CB-CG2 3.99Å; R339-T341 VanDerWaalsContact CD-CG2 3.42Å; R339-T341 HydrophobicContact CG-CG2 3.51Å; R339-T341 PolarHBondContact O-N 2.84Å; T341-W343 PolarHBondContact O-N 2.91Å | ||
| 342 | T | 35.1 | Very low | 42.9 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 83% | 0.828 | 67% | 0.667 | S | S | * | * | trans | -40.6 | 103.3 | 152.6 | -23.7 | 0 | 0 | 0 | 0 | 104.7 | R340 S344 | R340-T342 VanDerWaalsContact C-N 3.33Å; R340-T342 PolarHBondContact O-N 2.85Å; T342-S344 PolarHBondContact O-N 3.14Å | ||
| 343 | W | 39 | Very low | 44.4 | Very low | 109 Ų | 109 | 118.8 Ų | 118.8 | 41% | 0.413 | 64% | 0.639 | S | S | . | * | trans | -67.7 | 98.3 | -179.5 | -155.5 | 57.8 | 0 | 0 | 0 | 104.1 | Y250 V313 T341 | Y250-W343 AromaticContact CD1-CE3 3.83Å; Y250-W343 HydrophobicContact CD1-CE3 3.83Å; Y250-W343 HydrophobicContact CD1-CH2 4.07Å; Y250-W343 AromaticContact CD1-CZ3 3.55Å; Y250-W343 HydrophobicContact CD1-CZ3 3.55Å; Y250-W343 AromaticContact CE1-CE3 4Å; Y250-W343 HydrophobicContact CE1-CE3 4Å; Y250-W343 HydrophobicContact CE1-CZ3 4.11Å; Y250-W343 HydrophobicContact CG-CZ3 4.47Å; V313-W343 HydrophobicContact CB-CH2 4.42Å; V313-W343 HydrophobicContact CG1-CH2 4.23Å; V313-W343 HydrophobicContact CG2-CH2 4.1Å; V313-W343 HydrophobicContact CG2-CZ3 4Å; T341-W343 PolarHBondContact O-N 2.91Å | ||
| 344 | S | 32.4 | Very low | 45.5 | Very low | 71 Ų | 71 | 110.3 Ų | 110.3 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | trans | -64.6 | 139 | 163 | 64.3 | 0 | 0 | 0 | 0 | 105.5 | T342 Q346 | T342-S344 PolarHBondContact O-N 3.14Å; S344-Q346 PolarHBondContact O-N 3.23Å | ||
| 345 | S | 35.3 | Very low | 47.3 | Very low | 112 Ų | 112 | 99.8 Ų | 99.8 | 78% | 0.783 | 56% | 0.56 | S | S | * | * | trans | -62 | 64.8 | 167.8 | 45.8 | 0 | 0 | 0 | 0 | 110 | S347 | S345-S347 PolarHBondContact O-N 2.83Š| ||
| 346 | Q | 32 | Very low | 48.9 | Very low | 165 Ų | 165 | 89 Ų | 89 | 77% | 0.771 | 52% | 0.52 | S | S | * | . | trans | -72.6 | 87.2 | 156.3 | -85.2 | 177.8 | -34.7 | 0 | 0 | 105.4 | S344 S348 | S344-Q346 PolarHBondContact O-N 3.23Å; Q346-S348 PolarHBondContact O-N 2.8Å | ||
| 347 | S | 33.8 | Very low | 50.8 | Low | 99 Ų | 99 | 83 Ų | 83 | 69% | 0.692 | 49% | 0.492 | S | S | * | . | trans | -49.5 | 91 | 164.1 | 43.6 | 0 | 0 | 0 | 0 | 108.7 | S345 S349 | S345-S347 PolarHBondContact O-N 2.83Å; S347-S349 PolarHBondContact O-N 3.38Å | ||
| 348 | S | 37 | Very low | 52.7 | Low | 52 Ų | 52 | 80.7 Ų | 80.7 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | trans | -60 | 113.5 | 157.6 | 70.5 | 0 | 0 | 0 | 0 | 105.2 | K315 Q346 G350 S351 | K315-S348 WeakPolarHBondContact CE-OG 3.38Å; K315-S348 PolarHBondContact NZ-OG 2.86Å; Q346-S348 PolarHBondContact O-N 2.8Å; S348-G350 PolarHBondContact O-N 3.43Å; S348-G350 VanDerWaalsContact O-N 3.12Å; S348-S351 PolarHBondContact O-N 2.7Å; S348-S351 PolarHBondContact O-OG 3.49Å | ||
| 349 | S | 41.3 | Very low | 54.8 | Low | 118 Ų | 118 | 77.3 Ų | 77.3 | 83% | 0.825 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45 | 120.3 | 179 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | S347 | S347-S349 PolarHBondContact O-N 3.38Š|
| 350 | G | 53.1 | Low | 57.3 | Low | 45 Ų | 45 | 69.5 Ų | 69.5 | 46% | 0.464 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.9 | 22.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | F200 S348 | F200-G350 VanDerWaalsContact CZ-O 3.26Å; F200-G350 WeakPolarHBondContact CZ-O 3.49Å; S348-G350 PolarHBondContact O-N 3.43Å; S348-G350 VanDerWaalsContact O-N 3.12Å |
| 351 | S | 62.5 | Low | 59.6 | Low | 37 Ų | 37 | 57.5 Ų | 57.5 | 26% | 0.259 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 149.8 | 169.5 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | T314 S348 | T314-S351 CarbonylContact O-C 3.4Å; T314-S351 WeakPolarHBondContact O-CA 3.42Å; S348-S351 PolarHBondContact O-N 2.7Å; S348-S351 PolarHBondContact O-OG 3.49Å |
| 352 | A | 69.4 | Low | 62 | Low | 7 Ų | 7 | 57.3 Ų | 57.3 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F200 V201 V313 T314 | F200-A352 HydrophobicContact CE2-CB 4.21Å; F200-A352 HydrophobicContact CZ-CB 4.39Å; V201-A352 HydrophobicContact CB-CB 4.2Å; V201-A352 HydrophobicContact CG1-CB 3.97Å; V201-A352 HydrophobicContact CG2-CB 3.29Å; V313-A352 CarbonylContact C-O 3.5Å; V313-A352 WeakPolarHBondContact CA-O 3.34Å; T314-A352 PolarHBondContact N-O 3.24Å; T314-A352 PolarHBondContact O-N 3.16Å; T314-A352 PolarHBondContact OG1-O 3.34Å; T314-A352 VanDerWaalsContact OG1-O 3.12Å |
| 353 | V | 78.3 | Confident | 64 | Low | 44 Ų | 44 | 53.8 Ų | 53.8 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 115.4 | 177.1 | -170 | 0 | 0 | 0 | 0 | 109.6 | P259 H311 C312 V313 | P259-V353 HydrophobicContact CB-CG1 4.18Å; H311-V353 HydrophobicContact CB-CG1 4.4Å; C312-V353 WeakPolarHBondContact O-CA 3.33Å; V313-V353 HydrophobicContact CG2-CG2 4.17Å |
| 354 | L | 79.3 | Confident | 65.2 | Low | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138.7 | 175.5 | -58.1 | 172.1 | 0 | 0 | 0 | 109.2 | V201 L204 L206 V235 H311 C312 T314 | V201-L354 HydrophobicContact CG1-CD2 4.16Å; L204-L354 HydrophobicContact CB-CD1 3.74Å; L204-L354 HydrophobicContact CB-CD2 4.04Å; L204-L354 HydrophobicContact CB-CG 4.49Å; L204-L354 HydrophobicContact CD1-CD1 4.3Å; L206-L354 HydrophobicContact CB-CB 3.88Å; L206-L354 HydrophobicContact CB-CD1 4.44Å; L206-L354 HydrophobicContact CD2-CB 4.25Å; V235-L354 HydrophobicContact CB-CD1 4.47Å; V235-L354 HydrophobicContact CG1-CD1 3.48Å; V235-L354 VanDerWaalsContact CG1-CD1 3.48Å; V235-L354 HydrophobicContact CG2-CD1 4.19Å; H311-L354 CarbonylContact C-O 3.56Å; H311-L354 VanDerWaalsContact CA-O 3.3Å; H311-L354 WeakPolarHBondContact CA-O 3.35Å; C312-L354 PolarHBondContact N-O 3.23Å; C312-L354 PolarHBondContact O-N 2.9Å; T314-L354 HydrophobicContact CG2-CD1 3.99Å; T314-L354 WeakPolarHBondContact OG1-CD1 3.43Å |
| 355 | S | 81.5 | Confident | 66.2 | Low | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.6 | -179 | -42.7 | 0 | 0 | 0 | 0 | 112.2 | I191 L310 H311 | I191-S355 PolarHBondContact N-O 3.3Å; I191-S355 PolarHBondContact O-N 2.83Å; I191-S355 VanDerWaalsContact O-N 3.08Å; L310-S355 CarbonylContact O-C 3.58Å; L310-S355 WeakPolarHBondContact O-CA 3.33Å; H311-S355 PolarHBondContact CE1-OG 2.97Å; H311-S355 WeakPolarHBondContact ND1-CB 3.27Å; H311-S355 PolarHBondContact ND1-OG 3.25Å |
| 356 | A | 80.8 | Confident | 66.5 | Low | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.033 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 136.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L206 L208 L310 | L206-A356 HydrophobicContact CB-CB 4.44Å; L206-A356 HydrophobicContact CD2-CB 3.74Å; L206-A356 HydrophobicContact CG-CB 3.73Å; L208-A356 HydrophobicContact CD2-CB 4.5Å; L208-A356 HydrophobicContact CG-CB 4.37Å; L310-A356 PolarHBondContact N-O 3.21Å; L310-A356 PolarHBondContact O-N 3.25Å |
| 357 | G | 78 | Confident | 66.8 | Low | 16 Ų | 16 | 55.5 Ų | 55.5 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | -175.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 358 | P | 85.4 | Confident | 66.8 | Low | 61 Ų | 61 | 56 Ų | 56 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -77.7 | 135.5 | 0.5 | 29 | -33.1 | 0 | 0 | 0 | 112.8 | I220 T307 F309 | I220-P358 WeakPolarHBondContact CD1-O 3.5Å; T307-P358 HydrophobicContact CG2-CB 4.49Å; F309-P358 HydrophobicContact CE1-CB 3.98Å; F309-P358 HydrophobicContact CE2-CB 4.01Å; F309-P358 HydrophobicContact CZ-CB 3.62Å; F309-P358 HydrophobicContact CZ-CG 4.35Å |
| 359 | I | 86.6 | Confident | 66.6 | Low | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 114.7 | 165 | -55 | 170.3 | 0 | 0 | 0 | 107.8 | L208 I220 L225 F292 V294 T307 V308 T361 | L208-I359 HydrophobicContact CD1-CD1 3.79Å; L208-I359 HydrophobicContact CD1-CG1 3.73Å; I220-I359 HydrophobicContact CD1-CB 4.44Å; I220-I359 HydrophobicContact CD1-CG1 4.3Å; L225-I359 HydrophobicContact CD1-CG2 3.87Å; F292-I359 HydrophobicContact CE2-CD1 4.41Å; F292-I359 HydrophobicContact CZ-CD1 3.76Å; V294-I359 HydrophobicContact CG1-CG2 4.04Å; T307-I359 CarbonylContact C-O 3.45Å; T307-I359 WeakPolarHBondContact CA-O 3.09Å; V308-I359 HydrophobicContact CB-CB 4.22Å; V308-I359 PolarHBondContact N-O 2.81Å; V308-I359 WeakPolarHBondContact O-CA 3.36Å; V308-I359 WeakPolarHBondContact O-CB 3.31Å; V308-I359 PolarHBondContact O-N 3.44Å; I359-T361 HydrophobicContact CG2-CG2 4.46Å |
| 360 | I | 87.5 | Confident | 66.5 | Low | 47 Ų | 47 | 62.2 Ų | 62.2 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124 | 178.9 | -55.4 | 174.2 | 0 | 0 | 0 | 108.1 | I220 G224 L225 M305 S306 | I220-I360 HydrophobicContact CG2-CB 4.07Å; I220-I360 HydrophobicContact CG2-CG1 4.45Å; G224-I360 CarbonylContact C-O 3.43Å; G224-I360 VanDerWaalsContact CA-O 3.24Å; G224-I360 WeakPolarHBondContact CA-O 3.42Å; L225-I360 PolarHBondContact N-O 2.96Å; M305-I360 HydrophobicContact CB-CG2 4.05Å; M305-I360 HydrophobicContact CG-CG2 4.26Å; M305-I360 HydrophobicContact SD-CG2 4.07Å; S306-I360 WeakPolarHBondContact O-CA 3.4Å |
| 361 | T | 87.3 | Confident | 65.9 | Low | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 145.3 | 174 | 67.3 | 0 | 0 | 0 | 0 | 111.1 | L225 V294 F295 M305 S306 I359 | L225-T361 CarbonylContact O-C 3.6Å; L225-T361 WeakPolarHBondContact O-CA 3.35Å; V294-T361 HydrophobicContact CB-CG2 3.74Å; V294-T361 HydrophobicContact CG2-CG2 3.87Å; F295-T361 WeakPolarHBondContact O-CG2 3.41Å; M305-T361 CarbonylContact C-O 3.49Å; M305-T361 VanDerWaalsContact CA-O 3.27Å; M305-T361 WeakPolarHBondContact CA-O 3.3Å; S306-T361 VanDerWaalsContact CB-OG1 3.3Å; S306-T361 WeakPolarHBondContact CB-OG1 3.39Å; S306-T361 PolarHBondContact N-O 3.1Å; S306-T361 PolarHBondContact O-N 3.01Å; S306-T361 PolarHBondContact O-OG1 3.29Å; I359-T361 HydrophobicContact CG2-CG2 4.46Å |
| 362 | R | 85.6 | Confident | 64.6 | Low | 73 Ų | 73 | 71.6 Ų | 71.6 | 28% | 0.275 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 152.6 | 170.7 | 63 | 163.8 | -174.2 | -111.6 | 10.8 | 110.9 | I223 G224 L225 L227 D364 | I223-R362 WeakPolarHBondContact O-CB 3.31Å; I223-R362 WeakPolarHBondContact O-CD 3.37Å; G224-R362 PolarHBondContact O-NH1 3.03Å; L225-R362 PolarHBondContact O-N 2.99Å; L227-R362 WeakPolarHBondContact CG-O 3.28Å; R362-D364 IonicContact CZ-OD1 3.96Å; R362-D364 IonicContact NE-OD1 2.89Å; R362-D364 PolarHBondContact NE-OD1 2.94Å; R362-D364 VanDerWaalsContact NE-OD1 3.1Å; R362-D364 IonicContact NH2-OD1 3.93Å |
| 363 | S | 78.1 | Confident | 63.1 | Low | 60 Ų | 60 | 79.9 Ų | 79.9 | 42% | 0.42 | 45% | 0.445 | S | S | . | . | trans | -76.8 | 125.2 | 161.2 | 47.2 | 0 | 0 | 0 | 0 | 109.2 | E365 | S363-E365 PolarHBondContact O-N 3.19Å; S363-E365 VanDerWaalsContact O-N 3.09Å | ||
| 364 | D | 63.2 | Low | 60.8 | Low | 81 Ų | 81 | 81 Ų | 81 | 43% | 0.433 | 47% | 0.465 | S | S | . | . | trans | -72.7 | 101.2 | 164.6 | -64.2 | -37 | 0 | 0 | 0 | 107.5 | P226 R362 T366 | P226-D364 WeakPolarHBondContact CB-OD2 3.14Å; R362-D364 IonicContact CZ-OD1 3.96Å; R362-D364 IonicContact NE-OD1 2.89Å; R362-D364 PolarHBondContact NE-OD1 2.94Å; R362-D364 VanDerWaalsContact NE-OD1 3.1Å; R362-D364 IonicContact NH2-OD1 3.93Å; D364-T366 VanDerWaalsContact C-N 3.29Å; D364-T366 PolarHBondContact O-N 3.19Å; D364-T366 VanDerWaalsContact O-N 3.09Å | ||
| 365 | E | 54.7 | Low | 58.5 | Low | 176 Ų | 176 | 86.3 Ų | 86.3 | 82% | 0.822 | 50% | 0.502 | S | S | * | . | trans | -64.2 | 104.2 | 150.9 | -74 | 177.8 | 179.2 | 0 | 0 | 105 | S363 | S363-E365 PolarHBondContact O-N 3.19Å; S363-E365 VanDerWaalsContact O-N 3.09Å | ||
| 366 | T | 40.2 | Very low | 56.4 | Low | 115 Ų | 115 | 92.1 Ų | 92.1 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | trans | -45.9 | 125.8 | 174.6 | 43.5 | 0 | 0 | 0 | 0 | 109.1 | D364 T368 | D364-T366 VanDerWaalsContact C-N 3.29Å; D364-T366 PolarHBondContact O-N 3.19Å; D364-T366 VanDerWaalsContact O-N 3.09Å; T366-T368 PolarHBondContact O-N 2.81Å | ||
| 367 | P | 39.4 | Very low | 54.1 | Low | 121 Ų | 121 | 97.1 Ų | 97.1 | 79% | 0.786 | 57% | 0.574 | S | S | * | * | trans | -64 | 111.1 | 165.4 | 26.8 | -29.1 | 0 | 0 | 0 | 105.8 | N369 | P367-N369 PolarHBondContact O-N 3.23Å; P367-N369 VanDerWaalsContact O-N 3.14Å | ||
| 368 | T | 33 | Very low | 52.4 | Low | 110 Ų | 110 | 102.7 Ų | 102.7 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | trans | -52.7 | 125.1 | 165.7 | 33.1 | 0 | 0 | 0 | 0 | 107.5 | T366 N370 | T366-T368 PolarHBondContact O-N 2.81Å; T368-N370 PolarHBondContact O-N 2.79Å; T368-N370 PolarHBondContact O-OD1 3.33Å | ||
| 369 | N | 33.7 | Very low | 50.2 | Low | 146 Ų | 146 | 105 Ų | 105 | 78% | 0.781 | 62% | 0.62 | S | S | * | * | trans | -63.4 | 92.1 | -175.4 | -148.4 | 4.1 | 0 | 0 | 0 | 108.6 | P367 S371 | P367-N369 PolarHBondContact O-N 3.23Å; P367-N369 VanDerWaalsContact O-N 3.14Å; N369-S371 PolarHBondContact O-N 3.29Å | ||
| 370 | N | 39.7 | Very low | 48 | Very low | 154 Ų | 154 | 110 Ų | 110 | 82% | 0.824 | 65% | 0.653 | S | S | * | * | trans | -81 | 68.2 | 178 | -72 | -9.7 | 0 | 0 | 0 | 109.5 | T368 | T368-N370 PolarHBondContact O-N 2.79Å; T368-N370 PolarHBondContact O-OD1 3.33Å | ||
| 371 | S | 39.9 | Very low | 45.8 | Very low | 87 Ų | 87 | 117.1 Ų | 117.1 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | trans | -114.3 | 66 | 162.9 | 64.6 | 0 | 0 | 0 | 0 | 109.2 | N369 | N369-S371 PolarHBondContact O-N 3.29Š| ||
| 372 | Q | 34.9 | Very low | 43.9 | Very low | 192 Ų | 192 | 125.5 Ų | 125.5 | 90% | 0.897 | 72% | 0.721 | S | S | * | * | trans | -160.5 | 113 | 150.2 | -117.9 | 164.9 | -44.8 | 0 | 0 | 111 | ||||
| 373 | L | 38.8 | Very low | 42.5 | Very low | 182 Ų | 182 | 127.2 Ų | 127.2 | 95% | 0.953 | 74% | 0.735 | S | S | * | * | trans | -64.3 | 131.3 | 167.4 | -177.1 | 70.7 | 0 | 0 | 0 | 109.7 | ||||
| 374 | G | 30.4 | Very low | 41.4 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | 126.9 | 110.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 375 | S | 29.7 | Very low | 41.3 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 85.6 | 133.8 | 153.4 | -159.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 376 | P | 36.8 | Very low | 41.5 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -84.3 | 119.4 | -178.1 | 33 | -30 | 0 | 0 | 0 | 111.5 | ||||
| 377 | S | 32.7 | Very low | 42.5 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | -131.5 | 107.9 | 164.7 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | P379 | S377-P379 WeakPolarHBondContact O-CD 3.23Š| ||
| 378 | V | 42.4 | Very low | 43.6 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 128.7 | 170.2 | 175.7 | 0 | 0 | 0 | 0 | 110 | ||
| 379 | P | 39.2 | Very low | 45.2 | Very low | 110 Ų | 110 | 120 Ų | 120 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -91 | 152 | 165.2 | -1.3 | 21.1 | 0 | 0 | 0 | 111.8 | S377 | S377-P379 WeakPolarHBondContact O-CD 3.23Š|
| 380 | P | 40.9 | Very low | 46.9 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 69% | 0.688 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 145.1 | -154.4 | 32.5 | -34.8 | 0 | 0 | 0 | 113.9 | Q382 | P380-Q382 PolarHBondContact O-N 2.74Å; P380-Q382 VanDerWaalsContact O-N 3.14Å |
| 381 | F | 42.4 | Very low | 48.4 | Very low | 196 Ų | 196 | 115.7 Ų | 115.7 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | -60.6 | 110 | 162.5 | -74.4 | -86.5 | 0 | 0 | 0 | 109.6 | L383 | F381-L383 PolarHBondContact O-N 3.16Å; F381-L383 VanDerWaalsContact O-N 3.1Å | ||
| 382 | Q | 46.3 | Very low | 50 | Low | 178 Ų | 178 | 114.6 Ų | 114.6 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | trans | -73.1 | 93.9 | 168.4 | -75.8 | -89.3 | -35.1 | 0 | 0 | 108.7 | P380 | P380-Q382 PolarHBondContact O-N 2.74Å; P380-Q382 VanDerWaalsContact O-N 3.14Å | ||
| 383 | L | 55.6 | Low | 51.9 | Low | 108 Ų | 108 | 106.9 Ų | 106.9 | 57% | 0.565 | 65% | 0.647 | S | S | * | * | trans | -90.1 | 124.7 | 166 | -80.7 | 164.8 | 0 | 0 | 0 | 108.7 | F381 A385 | F381-L383 PolarHBondContact O-N 3.16Å; F381-L383 VanDerWaalsContact O-N 3.1Å; L383-A385 PolarHBondContact O-N 2.81Å | ||
| 384 | N | 55.9 | Low | 53.7 | Low | 122 Ų | 122 | 105 Ų | 105 | 65% | 0.652 | 64% | 0.635 | S | S | * | * | trans | -54.5 | 137.6 | 174.9 | -77.2 | -12.5 | 0 | 0 | 0 | 110.3 | I386 T387 S388 | N384-I386 PolarHBondContact O-N 3.07Å; N384-T387 PolarHBondContact N-OG1 2.72Å; N384-T387 PolarHBondContact O-N 2.97Å; N384-T387 PolarHBondContact O-OG1 3.26Å; N384-S388 PolarHBondContact O-N 2.77Å | ||
| 385 | A | 61.4 | Low | 56.2 | Low | 80 Ų | 80 | 106 Ų | 106 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -53.1 | -25 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L383 S388 A389 | L383-A385 PolarHBondContact O-N 2.81Å; A385-S388 PolarHBondContact O-OG 3.03Å; A385-S388 VanDerWaalsContact O-OG 3.08Å; A385-A389 PolarHBondContact O-N 2.79Å |
| 386 | I | 58.5 | Low | 58.8 | Low | 135 Ų | 135 | 105.5 Ų | 105.5 | 69% | 0.692 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.7 | -36.6 | 176.8 | -55.5 | 175.4 | 0 | 0 | 0 | 111 | N384 L390 | N384-I386 PolarHBondContact O-N 3.07Å; I386-L390 HydrophobicContact CG2-CD1 4.45Å; I386-L390 WeakPolarHBondContact O-CG 3.35Å; I386-L390 PolarHBondContact O-N 3.28Å |
| 387 | T | 61.6 | Low | 60.9 | Low | 58 Ų | 58 | 105.3 Ų | 105.3 | 36% | 0.356 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -75.2 | -35.3 | 179 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | N384 L390 I391 | N384-T387 PolarHBondContact N-OG1 2.72Å; N384-T387 PolarHBondContact O-N 2.97Å; N384-T387 PolarHBondContact O-OG1 3.26Å; T387-L390 PolarHBondContact O-N 3.34Å; T387-I391 WeakPolarHBondContact O-CD1 3.45Å; T387-I391 VanDerWaalsContact O-CG1 3.25Å; T387-I391 WeakPolarHBondContact O-CG1 3.34Å; T387-I391 PolarHBondContact O-N 3.38Å; T387-I391 VanDerWaalsContact O-N 3.13Å |
| 388 | S | 62.6 | Low | 63.3 | Low | 56 Ų | 56 | 101.8 Ų | 101.8 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.4 | -35.4 | 175.5 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | N384 A385 S392 | N384-S388 PolarHBondContact O-N 2.77Å; A385-S388 PolarHBondContact O-OG 3.03Å; A385-S388 VanDerWaalsContact O-OG 3.08Å; S388-S392 WeakPolarHBondContact O-CB 3.4Å; S388-S392 PolarHBondContact O-N 3.28Å; S388-S392 PolarHBondContact O-OG 3.43Å |
| 389 | A | 65.5 | Low | 65.4 | Low | 60 Ų | 60 | 99.4 Ų | 99.4 | 50% | 0.496 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.9 | -35.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A385 S392 G393 | A385-A389 PolarHBondContact O-N 2.79Å; A389-S392 PolarHBondContact O-OG 3.37Å; A389-S392 VanDerWaalsContact O-OG 3.14Å; A389-G393 PolarHBondContact O-N 3.18Å; A389-G393 VanDerWaalsContact O-N 3.09Å |
| 390 | L | 68.7 | Low | 67.5 | Low | 115 Ų | 115 | 99.4 Ų | 99.4 | 60% | 0.602 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.5 | -40.8 | 176.9 | -71.4 | 169.9 | 0 | 0 | 0 | 112 | I386 T387 G393 M394 | I386-L390 HydrophobicContact CG2-CD1 4.45Å; I386-L390 WeakPolarHBondContact O-CG 3.35Å; I386-L390 PolarHBondContact O-N 3.28Å; T387-L390 PolarHBondContact O-N 3.34Å; L390-G393 PolarHBondContact O-N 3.09Å; L390-M394 WeakPolarHBondContact O-CG 3.43Å; L390-M394 PolarHBondContact O-N 3.49Å; L390-M394 VanDerWaalsContact O-N 3.09Å |
| 391 | I | 71.8 | Confident | 69.6 | Low | 96 Ų | 96 | 97.3 Ų | 97.3 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.7 | -40.9 | 178.9 | -63.9 | 165.2 | 0 | 0 | 0 | 110.5 | T387 M394 V395 | T387-I391 WeakPolarHBondContact O-CD1 3.45Å; T387-I391 VanDerWaalsContact O-CG1 3.25Å; T387-I391 WeakPolarHBondContact O-CG1 3.34Å; T387-I391 PolarHBondContact O-N 3.38Å; T387-I391 VanDerWaalsContact O-N 3.13Å; I391-M394 PolarHBondContact O-N 3.44Å; I391-V395 WeakPolarHBondContact O-CG2 3.44Å; I391-V395 PolarHBondContact O-N 3.01Å; I391-V395 VanDerWaalsContact O-N 3.13Å |
| 392 | S | 74.1 | Confident | 71.6 | Confident | 63 Ų | 63 | 94.2 Ų | 94.2 | 44% | 0.441 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 176.6 | 69.7 | 0 | 0 | 0 | 0 | 112.4 | S388 A389 V395 I396 | S388-S392 WeakPolarHBondContact O-CB 3.4Å; S388-S392 PolarHBondContact O-N 3.28Å; S388-S392 PolarHBondContact O-OG 3.43Å; A389-S392 PolarHBondContact O-OG 3.37Å; A389-S392 VanDerWaalsContact O-OG 3.14Å; S392-V395 PolarHBondContact O-N 3.04Å; S392-I396 WeakPolarHBondContact O-CD1 3.48Å; S392-I396 VanDerWaalsContact O-CG1 3.26Å; S392-I396 WeakPolarHBondContact O-CG1 3.49Å; S392-I396 PolarHBondContact O-N 3.48Å |
| 393 | G | 74.7 | Confident | 73.2 | Confident | 30 Ų | 30 | 88.2 Ų | 88.2 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | A389 L390 I396 L397 | A389-G393 PolarHBondContact O-N 3.18Å; A389-G393 VanDerWaalsContact O-N 3.09Å; L390-G393 PolarHBondContact O-N 3.09Å; G393-I396 PolarHBondContact O-N 2.89Å; G393-L397 WeakPolarHBondContact O-CG 3.15Å; G393-L397 PolarHBondContact O-N 2.93Å |
| 394 | M | 77.5 | Confident | 74.5 | Confident | 142 Ų | 142 | 88.7 Ų | 88.7 | 70% | 0.7 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 178.3 | -72.7 | -67.3 | -171.6 | 0 | 0 | 112.5 | L390 I391 G398 | L390-M394 WeakPolarHBondContact O-CG 3.43Å; L390-M394 PolarHBondContact O-N 3.49Å; L390-M394 VanDerWaalsContact O-N 3.09Å; I391-M394 PolarHBondContact O-N 3.44Å; M394-G398 PolarHBondContact O-N 3.11Å |
| 395 | V | 81.8 | Confident | 75.8 | Confident | 88 Ų | 88 | 87.8 Ų | 87.8 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | I391 S392 L397 G398 V399 | I391-V395 WeakPolarHBondContact O-CG2 3.44Å; I391-V395 PolarHBondContact O-N 3.01Å; I391-V395 VanDerWaalsContact O-N 3.13Å; S392-V395 PolarHBondContact O-N 3.04Å; V395-L397 PolarHBondContact O-N 3.41Å; V395-G398 PolarHBondContact O-N 2.97Å; V395-V399 HydrophobicContact CG1-CG2 4.39Å; V395-V399 WeakPolarHBondContact O-CG2 3.33Å; V395-V399 PolarHBondContact O-N 2.95Å |
| 396 | I | 83.5 | Confident | 76.8 | Confident | 105 Ų | 105 | 88.2 Ų | 88.2 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 178.9 | -65.8 | 165.1 | 0 | 0 | 0 | 110.7 | S392 G393 G398 V399 M400 | S392-I396 WeakPolarHBondContact O-CD1 3.48Å; S392-I396 VanDerWaalsContact O-CG1 3.26Å; S392-I396 WeakPolarHBondContact O-CG1 3.49Å; S392-I396 PolarHBondContact O-N 3.48Å; G393-I396 PolarHBondContact O-N 2.89Å; I396-G398 VanDerWaalsContact C-N 3.33Å; I396-G398 PolarHBondContact O-N 3.38Å; I396-V399 PolarHBondContact O-N 3.46Å; I396-M400 HydrophobicContact CG2-CG 4.34Å; I396-M400 WeakPolarHBondContact O-CB 3.29Å; I396-M400 VanDerWaalsContact O-CG 3.26Å; I396-M400 WeakPolarHBondContact O-CG 3.4Å; I396-M400 PolarHBondContact O-N 2.91Å |
| 397 | L | 82.7 | Confident | 77.8 | Confident | 122 Ų | 122 | 85.6 Ų | 85.6 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -38 | 176 | -70.8 | 171.7 | 0 | 0 | 0 | 112.1 | G393 V395 S401 | G393-L397 WeakPolarHBondContact O-CG 3.15Å; G393-L397 PolarHBondContact O-N 2.93Å; V395-L397 PolarHBondContact O-N 3.41Å; L397-S401 WeakPolarHBondContact O-CB 3.44Å; L397-S401 PolarHBondContact O-N 3.46Å; L397-S401 PolarHBondContact O-OG 3.32Å; L397-S401 VanDerWaalsContact O-OG 3.11Å |
| 398 | G | 83.3 | Confident | 78.5 | Confident | 34 Ų | 34 | 85.3 Ų | 85.3 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M394 V395 I396 S401 F402 | M394-G398 PolarHBondContact O-N 3.11Å; V395-G398 PolarHBondContact O-N 2.97Å; I396-G398 VanDerWaalsContact C-N 3.33Å; I396-G398 PolarHBondContact O-N 3.38Å; G398-S401 PolarHBondContact O-N 2.98Å; G398-S401 PolarHBondContact O-OG 2.92Å; G398-F402 WeakPolarHBondContact O-CB 3.44Å; G398-F402 PolarHBondContact O-N 2.94Å |
| 399 | V | 85.9 | Confident | 79.2 | Confident | 84 Ų | 84 | 87.8 Ų | 87.8 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 179.6 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | V395 I396 F402 S403 | V395-V399 HydrophobicContact CG1-CG2 4.39Å; V395-V399 WeakPolarHBondContact O-CG2 3.33Å; V395-V399 PolarHBondContact O-N 2.95Å; I396-V399 PolarHBondContact O-N 3.46Å; V399-F402 PolarHBondContact O-N 2.99Å; V399-S403 WeakPolarHBondContact O-CB 3.39Å; V399-S403 PolarHBondContact O-N 3.3Å; V399-S403 PolarHBondContact O-OG 2.67Å |
| 400 | M | 83.9 | Confident | 79.5 | Confident | 109 Ų | 109 | 87.7 Ų | 87.7 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 178.6 | -69.3 | -58.4 | -68.1 | 0 | 0 | 112 | I396 S403 L404 | I396-M400 HydrophobicContact CG2-CG 4.34Å; I396-M400 WeakPolarHBondContact O-CB 3.29Å; I396-M400 VanDerWaalsContact O-CG 3.26Å; I396-M400 WeakPolarHBondContact O-CG 3.4Å; I396-M400 PolarHBondContact O-N 2.91Å; M400-S403 PolarHBondContact O-N 3.35Å; M400-L404 WeakPolarHBondContact O-CG 3.31Å; M400-L404 PolarHBondContact O-N 3.42Å |
| 401 | S | 83.5 | Confident | 79.7 | Confident | 63 Ų | 63 | 88.1 Ų | 88.1 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 176.8 | 65.6 | 0 | 0 | 0 | 0 | 112.2 | L397 G398 L404 L405 | L397-S401 WeakPolarHBondContact O-CB 3.44Å; L397-S401 PolarHBondContact O-N 3.46Å; L397-S401 PolarHBondContact O-OG 3.32Å; L397-S401 VanDerWaalsContact O-OG 3.11Å; G398-S401 PolarHBondContact O-N 2.98Å; G398-S401 PolarHBondContact O-OG 2.92Å; S401-L404 PolarHBondContact O-N 3Å; S401-L405 WeakPolarHBondContact O-CB 3.34Å; S401-L405 PolarHBondContact O-N 2.91Å |
| 402 | F | 85.2 | Confident | 79.4 | Confident | 130 Ų | 130 | 90.1 Ų | 90.1 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.4 | -38.9 | 175.6 | -167 | -106.1 | 0 | 0 | 0 | 112.2 | G398 V399 L405 L406 | G398-F402 WeakPolarHBondContact O-CB 3.44Å; G398-F402 PolarHBondContact O-N 2.94Å; V399-F402 PolarHBondContact O-N 2.99Å; F402-L405 WeakPolarHBondContact O-CB 3.3Å; F402-L405 PolarHBondContact O-N 3.32Å; F402-L406 HydrophobicContact CD1-CD1 3.81Å; F402-L406 HydrophobicContact CD1-CG 4.28Å; F402-L406 HydrophobicContact CE1-CD1 3.51Å; F402-L406 HydrophobicContact CE1-CG 4.06Å; F402-L406 HydrophobicContact CZ-CD1 4.27Å; F402-L406 HydrophobicContact CZ-CD2 4.49Å; F402-L406 HydrophobicContact CZ-CG 4.43Å; F402-L406 WeakPolarHBondContact O-CG 3.48Å; F402-L406 PolarHBondContact O-N 2.94Å |
| 403 | S | 79.3 | Confident | 78.7 | Confident | 53 Ų | 53 | 95.1 Ų | 95.1 | 37% | 0.371 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 176.3 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | V399 M400 L406 C407 | V399-S403 WeakPolarHBondContact O-CB 3.39Å; V399-S403 PolarHBondContact O-N 3.3Å; V399-S403 PolarHBondContact O-OG 2.67Å; M400-S403 PolarHBondContact O-N 3.35Å; S403-L406 PolarHBondContact O-N 2.85Å; S403-C407 WeakPolarHBondContact O-CB 3.33Å; S403-C407 PolarHBondContact O-N 3.48Å |
| 404 | L | 82.3 | Confident | 78 | Confident | 118 Ų | 118 | 104 Ų | 104 | 62% | 0.618 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.3 | -37.2 | 175.3 | -72.2 | 171.8 | 0 | 0 | 0 | 111.9 | M400 S401 C407 S408 | M400-L404 WeakPolarHBondContact O-CG 3.31Å; M400-L404 PolarHBondContact O-N 3.42Å; S401-L404 PolarHBondContact O-N 3Å; L404-C407 PolarHBondContact O-N 2.9Å; L404-S408 WeakPolarHBondContact O-CB 3.44Å; L404-S408 PolarHBondContact O-N 3.46Å; L404-S408 PolarHBondContact O-OG 3.07Å |
| 405 | L | 83.8 | Confident | 76.9 | Confident | 102 Ų | 102 | 106.8 Ų | 106.8 | 53% | 0.534 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.5 | -44.6 | 172.5 | -94.5 | 157.2 | 0 | 0 | 0 | 112 | S401 F402 S408 L409 | S401-L405 WeakPolarHBondContact O-CB 3.34Å; S401-L405 PolarHBondContact O-N 2.91Å; F402-L405 WeakPolarHBondContact O-CB 3.3Å; F402-L405 PolarHBondContact O-N 3.32Å; L405-S408 WeakPolarHBondContact CA-OG 3.44Å; L405-S408 PolarHBondContact O-N 3.09Å; L405-S408 PolarHBondContact O-OG 3.49Å; L405-L409 WeakPolarHBondContact O-CB 3.47Å; L405-L409 VanDerWaalsContact O-CG 3.29Å; L405-L409 WeakPolarHBondContact O-CG 3.29Å; L405-L409 PolarHBondContact O-N 3.24Å |
| 406 | L | 83.1 | Confident | 75.2 | Confident | 90 Ų | 90 | 105.3 Ų | 105.3 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -39.5 | 176.4 | -70.8 | 178.1 | 0 | 0 | 0 | 112.4 | F402 S403 L409 A410 | F402-L406 HydrophobicContact CD1-CD1 3.81Å; F402-L406 HydrophobicContact CD1-CG 4.28Å; F402-L406 HydrophobicContact CE1-CD1 3.51Å; F402-L406 HydrophobicContact CE1-CG 4.06Å; F402-L406 HydrophobicContact CZ-CD1 4.27Å; F402-L406 HydrophobicContact CZ-CD2 4.49Å; F402-L406 HydrophobicContact CZ-CG 4.43Å; F402-L406 WeakPolarHBondContact O-CG 3.48Å; F402-L406 PolarHBondContact O-N 2.94Å; S403-L406 PolarHBondContact O-N 2.85Å; L406-L409 PolarHBondContact O-N 3.25Å; L406-A410 VanDerWaalsContact O-CB 3.31Å; L406-A410 WeakPolarHBondContact O-CB 3.13Å; L406-A410 PolarHBondContact O-N 3.34Å |
| 407 | C | 78.8 | Confident | 73.5 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 54% | 0.541 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.7 | -41.8 | 175.5 | -108.3 | 0 | 0 | 0 | 0 | 112.1 | S403 L404 A410 L411 | S403-C407 WeakPolarHBondContact O-CB 3.33Å; S403-C407 PolarHBondContact O-N 3.48Å; L404-C407 PolarHBondContact O-N 2.9Å; C407-A410 PolarHBondContact O-N 3.17Å; C407-L411 WeakPolarHBondContact O-CB 3.28Å; C407-L411 VanDerWaalsContact O-CG 3.3Å; C407-L411 WeakPolarHBondContact O-CG 3.29Å; C407-L411 PolarHBondContact O-N 2.9Å |
| 408 | S | 77.1 | Confident | 71.5 | Confident | 52 Ų | 52 | 107.9 Ų | 107.9 | 36% | 0.364 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.5 | -41.3 | 175.9 | 41.3 | 0 | 0 | 0 | 0 | 111.6 | L404 L405 A410 L411 L412 | L404-S408 WeakPolarHBondContact O-CB 3.44Å; L404-S408 PolarHBondContact O-N 3.46Å; L404-S408 PolarHBondContact O-OG 3.07Å; L405-S408 WeakPolarHBondContact CA-OG 3.44Å; L405-S408 PolarHBondContact O-N 3.09Å; L405-S408 PolarHBondContact O-OG 3.49Å; S408-A410 PolarHBondContact O-N 3.49Å; S408-L411 PolarHBondContact O-N 3.11Å; S408-L412 WeakPolarHBondContact O-CD1 3.19Å; S408-L412 PolarHBondContact O-N 3.24Å |
| 409 | L | 76.6 | Confident | 69.4 | Low | 107 Ų | 107 | 111.8 Ų | 111.8 | 56% | 0.56 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.1 | -42.1 | 172 | -75.3 | 165.5 | 0 | 0 | 0 | 112.4 | L405 L406 L412 H413 | L405-L409 WeakPolarHBondContact O-CB 3.47Å; L405-L409 VanDerWaalsContact O-CG 3.29Å; L405-L409 WeakPolarHBondContact O-CG 3.29Å; L405-L409 PolarHBondContact O-N 3.24Å; L406-L409 PolarHBondContact O-N 3.25Å; L409-L412 PolarHBondContact O-N 3.15Å; L409-H413 WeakPolarHBondContact O-CB 3.46Å; L409-H413 PolarHBondContact O-N 2.95Å |
| 410 | A | 72.4 | Confident | 67.2 | Low | 58 Ų | 58 | 115.6 Ų | 115.6 | 48% | 0.479 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.7 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L406 C407 S408 H413 R414 | L406-A410 VanDerWaalsContact O-CB 3.31Å; L406-A410 WeakPolarHBondContact O-CB 3.13Å; L406-A410 PolarHBondContact O-N 3.34Å; C407-A410 PolarHBondContact O-N 3.17Å; S408-A410 PolarHBondContact O-N 3.49Å; A410-H413 PolarHBondContact O-N 3.27Å; A410-R414 WeakPolarHBondContact O-CB 3.44Å; A410-R414 PolarHBondContact O-N 2.73Å |
| 411 | L | 71.8 | Confident | 64.8 | Low | 124 Ų | 124 | 116.4 Ų | 116.4 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.2 | -34.9 | 173.9 | -73 | 172.6 | 0 | 0 | 0 | 112.1 | C407 S408 | C407-L411 WeakPolarHBondContact O-CB 3.28Å; C407-L411 VanDerWaalsContact O-CG 3.3Å; C407-L411 WeakPolarHBondContact O-CG 3.29Å; C407-L411 PolarHBondContact O-N 2.9Å; S408-L411 PolarHBondContact O-N 3.11Å |
| 412 | L | 65.6 | Low | 62.5 | Low | 138 Ų | 138 | 119.9 Ų | 119.9 | 72% | 0.723 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67 | -37.7 | 170.4 | -94.7 | 108.2 | 0 | 0 | 0 | 111.8 | S408 L409 R414 | S408-L412 WeakPolarHBondContact O-CD1 3.19Å; S408-L412 PolarHBondContact O-N 3.24Å; L409-L412 PolarHBondContact O-N 3.15Å; L412-R414 VanDerWaalsContact C-N 3.33Å; L412-R414 PolarHBondContact O-N 3.09Å |
| 413 | H | 61 | Low | 60.1 | Low | 169 Ų | 169 | 120.9 Ų | 120.9 | 78% | 0.782 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -78.3 | -12.7 | -179.3 | -129.2 | -77.8 | 0 | 0 | 0 | 114.3 | L409 A410 K415 | L409-H413 WeakPolarHBondContact O-CB 3.46Å; L409-H413 PolarHBondContact O-N 2.95Å; A410-H413 PolarHBondContact O-N 3.27Å; H413-K415 VanDerWaalsContact C-N 3.34Å |
| 414 | R | 58.5 | Low | 57.8 | Low | 216 Ų | 216 | 121.7 Ų | 121.7 | 82% | 0.815 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 0.1 | 178.9 | -152.6 | 176.1 | 178.5 | -174.7 | -0.2 | 113.8 | A410 L412 | A410-R414 WeakPolarHBondContact O-CB 3.44Å; A410-R414 PolarHBondContact O-N 2.73Å; L412-R414 VanDerWaalsContact C-N 3.33Å; L412-R414 PolarHBondContact O-N 3.09Å |
| 415 | K | 55.7 | Low | 55.6 | Low | 200 Ų | 200 | 124.2 Ų | 124.2 | 87% | 0.87 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -109 | 78.2 | 168.3 | -87.7 | -177.9 | 173.3 | 178.8 | 0 | 110.5 | H413 | H413-K415 VanDerWaalsContact C-N 3.34Š|
| 416 | G | 45.8 | Very low | 53.3 | Low | 58 Ų | 58 | 130.1 Ų | 130.1 | 60% | 0.598 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -166.7 | 122.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 417 | P | 47 | Very low | 51 | Low | 137 Ų | 137 | 133.5 Ų | 133.5 | 89% | 0.89 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 143.2 | -158.1 | 30.4 | -33.8 | 0 | 0 | 0 | 114.3 | ||
| 418 | T | 41.1 | Very low | 49.8 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 137 | 167.6 | 36.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 419 | S | 39.3 | Very low | 48.1 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 155.9 | 176.2 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 420 | L | 38.6 | Very low | 46.3 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -130.8 | 145.1 | 163.7 | -123.6 | 161.2 | 0 | 0 | 0 | 108.8 | ||||
| 421 | V | 34.4 | Very low | 44.5 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | trans | 87.9 | 134.7 | 166.2 | -173.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 422 | L | 35.3 | Very low | 43.1 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 72% | 0.717 | 82% | 0.823 | S | S | * | * | cis | -178.2 | 155.5 | -15.8 | -171.1 | 76.1 | 0 | 0 | 0 | 107.5 | ||||
| 423 | N | 33.8 | Very low | 42 | Very low | 151 Ų | 151 | 153.6 Ų | 153.6 | 81% | 0.807 | 83% | 0.828 | S | S | * | * | trans | 86.9 | 131.7 | 145.3 | -89.1 | -6.9 | 0 | 0 | 0 | 123 | ||||
| 424 | G | 33 | Very low | 40.9 | Very low | 70 Ų | 70 | 152.8 Ų | 152.8 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | 155 | 89.6 | 129.4 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 425 | I | 34.2 | Very low | 39.9 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -129.8 | 100 | 152.3 | -60.8 | -179.3 | 0 | 0 | 0 | 109.5 | ||||
| 426 | R | 37.3 | Very low | 38.9 | Very low | 226 Ų | 226 | 145.9 Ų | 145.9 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | 35.7 | 118.5 | 133.8 | -147.1 | 175 | -165.7 | 177.6 | 3.3 | 119.6 | ||||
| 427 | N | 33.5 | Very low | 38.4 | Very low | 160 Ų | 160 | 151.7 Ų | 151.7 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | -99.1 | 149.4 | 150.1 | -92.4 | -11.4 | 0 | 0 | 0 | 110.3 | ||||
| 428 | P | 54.8 | Low | 37.8 | Very low | 114 Ų | 114 | 152.8 Ų | 152.8 | 74% | 0.74 | 84% | 0.841 | S | S | * | * | trans | -117.9 | 141.8 | 141.9 | 33.7 | -21.3 | 0 | 0 | 0 | 110.8 | F430 | P428-F430 PolarHBondContact O-N 3.41Š| ||
| 429 | V | 40.5 | Very low | 37.5 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | -18.6 | 108.4 | 164.2 | 179.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 430 | F | 39.4 | Very low | 37.4 | Very low | 205 Ų | 205 | 156.6 Ų | 156.6 | 90% | 0.899 | 84% | 0.84 | S | S | * | * | -120.3 | 123.6 | 119.1 | -107.6 | -84.2 | 0 | 0 | 0 | 105.2 | P428 | P428-F430 PolarHBondContact O-N 3.41Š| |||
| 431 | D | 34.1 | Very low | 37.3 | Very low | 225 Ų | 225 | 156 Ų | 156 | 100% | 1.203 | 84% | 0.839 | S | S | * | * | trans | 48.4 | 0 | -176.6 | -68.8 | -14.5 | 0 | 0 | 0 | 120 |
Retrieved 431 of 431 residues in 74.1 ms
(Link to these results)