| 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 | 42.3 | Very low | 40.6 | Very low | 241 Ų | 241 | 125.4 Ų | 125.4 | 100% | 1.187 | 68% | 0.677 | S | S | * | * | 0 | 124.9 | 0 | -64.4 | -179.5 | 99.6 | 0 | 0 | 107.2 | |||||
| 2 | P | 46.1 | Very low | 40.1 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 46% | 0.455 | 68% | 0.682 | S | S | . | * | trans | -91.9 | 155.7 | -160.2 | 37.5 | -34.5 | 0 | 0 | 0 | 112.6 | W4 | P2-W4 HydrophobicContact CB-CD2 4.01Å; P2-W4 VanDerWaalsContact CB-CE2 3.41Å; P2-W4 HydrophobicContact CB-CG 4.35Å; P2-W4 HydrophobicContact CB-CH2 4.41Å; P2-W4 HydrophobicContact CB-CZ2 3.64Å; P2-W4 HydrophobicContact CG-CD2 3.6Å; P2-W4 HydrophobicContact CG-CE3 3.87Å; P2-W4 HydrophobicContact CG-CG 4.27Å; P2-W4 HydrophobicContact CG-CH2 3.68Å; P2-W4 HydrophobicContact CG-CZ2 3.4Å; P2-W4 VanDerWaalsContact CG-CZ2 3.4Å; P2-W4 HydrophobicContact CG-CZ3 3.91Å; P2-W4 PolarHBondContact O-N 3.11Å | ||
| 3 | S | 40.7 | Very low | 39.5 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 10.9 | -170.2 | 42.4 | 0 | 0 | 0 | 0 | 116.8 | ||
| 4 | W | 42.1 | Very low | 39.3 | Very low | 197 Ų | 197 | 126.1 Ų | 126.1 | 75% | 0.746 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -19.8 | -176 | -28.7 | -32.2 | 0 | 0 | 0 | 112 | P2 L6 | P2-W4 HydrophobicContact CB-CD2 4.01Å; P2-W4 VanDerWaalsContact CB-CE2 3.41Å; P2-W4 HydrophobicContact CB-CG 4.35Å; P2-W4 HydrophobicContact CB-CH2 4.41Å; P2-W4 HydrophobicContact CB-CZ2 3.64Å; P2-W4 HydrophobicContact CG-CD2 3.6Å; P2-W4 HydrophobicContact CG-CE3 3.87Å; P2-W4 HydrophobicContact CG-CG 4.27Å; P2-W4 HydrophobicContact CG-CH2 3.68Å; P2-W4 HydrophobicContact CG-CZ2 3.4Å; P2-W4 VanDerWaalsContact CG-CZ2 3.4Å; P2-W4 HydrophobicContact CG-CZ3 3.91Å; P2-W4 PolarHBondContact O-N 3.11Å; W4-L6 VanDerWaalsContact C-N 3.29Å; W4-L6 PolarHBondContact O-N 3.32Å |
| 5 | A | 42.5 | Very low | 38.8 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 60% | 0.603 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -72.4 | -19.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 6 | L | 44.3 | Very low | 38.1 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -80.3 | -23.6 | -179.2 | -90.8 | 150.5 | 0 | 0 | 0 | 113.5 | W4 T10 | W4-L6 VanDerWaalsContact C-N 3.29Å; W4-L6 PolarHBondContact O-N 3.32Å; L6-T10 PolarHBondContact O-OG1 2.94Å |
| 7 | F | 40.1 | Very low | 37.5 | Very low | 167 Ų | 167 | 122.1 Ų | 122.1 | 73% | 0.732 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -83.5 | -18.5 | 178.4 | -89 | -79.6 | 0 | 0 | 0 | 114 | T10 | F7-T10 PolarHBondContact O-OG1 3.03Å |
| 8 | M | 36.3 | Very low | 37.3 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -86.4 | -17.4 | 175.8 | -70 | -63.9 | -74.2 | 0 | 0 | 113.1 | ||
| 9 | V | 39.2 | Very low | 37.3 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 56% | 0.564 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -88.6 | -27 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | C12 | V9-C12 PolarHBondContact O-N 3.1Å |
| 10 | T | 37.8 | Very low | 37.6 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 53% | 0.534 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -78.5 | -18.1 | 177.1 | 47.1 | 0 | 0 | 0 | 0 | 113.9 | L6 F7 | L6-T10 PolarHBondContact O-OG1 2.94Å; F7-T10 PolarHBondContact O-OG1 3.03Å |
| 11 | S | 35.5 | Very low | 38.4 | Very low | 83 Ų | 83 | 119.1 Ų | 119.1 | 58% | 0.58 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -78.8 | -18.4 | 173.5 | -158.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 12 | C | 34 | Very low | 39.7 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -95.2 | 6.9 | 177.8 | -70.8 | 0 | 0 | 0 | 0 | 114 | V9 | V9-C12 PolarHBondContact O-N 3.1Š|
| 13 | L | 33.3 | Very low | 41.2 | Very low | 131 Ų | 131 | 112.1 Ų | 112.1 | 69% | 0.686 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -108.4 | 15.4 | 173.8 | -72.8 | 172.1 | 0 | 0 | 0 | 113.1 | L15 | L13-L15 PolarHBondContact O-N 3.41Š|
| 14 | L | 36.7 | Very low | 43.2 | Very low | 146 Ų | 146 | 109.9 Ų | 109.9 | 76% | 0.764 | 60% | 0.601 | S | S | * | * | trans | -72.1 | 86.1 | 153.2 | -73.9 | 166.6 | 0 | 0 | 0 | 106.7 | A16 | L14-A16 PolarHBondContact O-N 3.4Š| ||
| 15 | L | 31.6 | Very low | 44.8 | Very low | 138 Ų | 138 | 105.3 Ų | 105.3 | 72% | 0.723 | 60% | 0.598 | S | S | * | * | trans | -42.9 | 110.2 | 152 | -86.6 | 136.3 | 0 | 0 | 0 | 106.3 | L13 | L13-L15 PolarHBondContact O-N 3.41Š| ||
| 16 | A | 26.7 | Very low | 46.7 | Very low | 77 Ų | 77 | 106.3 Ų | 106.3 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | trans | -47.4 | 136.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | L14 Q18 | L14-A16 PolarHBondContact O-N 3.4Å; A16-Q18 PolarHBondContact O-N 2.84Å | ||
| 17 | P | 29 | Very low | 48.5 | Very low | 95 Ų | 95 | 100.4 Ų | 100.4 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | trans | -55 | 113.4 | 179 | -15.8 | 26.9 | 0 | 0 | 0 | 107.4 | N19 L20 | P17-N19 PolarHBondContact O-N 2.9Å; P17-L20 HydrophobicContact CG-CD1 4.31Å | ||
| 18 | Q | 33.4 | Very low | 50.5 | Low | 162 Ų | 162 | 93.9 Ų | 93.9 | 76% | 0.757 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 124.6 | 170.4 | -67.4 | -170.8 | -11.5 | 0 | 0 | 106.2 | A16 | A16-Q18 PolarHBondContact O-N 2.84Š|
| 19 | N | 37.3 | Very low | 52.6 | Low | 145 Ų | 145 | 91.1 Ų | 91.1 | 78% | 0.775 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 53 | -178.6 | -52.2 | -53.5 | 0 | 0 | 0 | 117.5 | P17 A21 | P17-N19 PolarHBondContact O-N 2.9Å; N19-A21 PolarHBondContact O-N 2.69Å |
| 20 | L | 42.5 | Very low | 54.6 | Low | 105 Ų | 105 | 88.8 Ų | 88.8 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | trans | -81.9 | 94.6 | 147.6 | -100.6 | 152.7 | 0 | 0 | 0 | 107.8 | P17 Q22 | P17-L20 HydrophobicContact CG-CD1 4.31Å; L20-Q22 PolarHBondContact O-N 2.89Å | ||
| 21 | A | 55 | Low | 56.8 | Low | 14 Ų | 14 | 85.3 Ų | 85.3 | 12% | 0.116 | 49% | 0.491 | C | S | . | . | trans | -52.2 | 110.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | N19 S80 Q82 V92 Q94 | N19-A21 PolarHBondContact O-N 2.69Å; A21-S80 PolarHBondContact O-OG 2.8Å; A21-S80 VanDerWaalsContact O-OG 3.14Å; A21-Q82 PolarHBondContact O-NE2 2.83Å; A21-V92 HydrophobicContact CB-CG1 4.04Å; A21-Q94 HydrophobicContact CB-CB 3.6Å | ||
| 22 | Q | 69.4 | Low | 58.7 | Low | 158 Ų | 158 | 84.5 Ų | 84.5 | 74% | 0.738 | 49% | 0.489 | S | S | * | . | trans | -115.8 | 126.4 | -174.5 | -164.1 | 174.1 | -30.3 | 0 | 0 | 110 | L20 | L20-Q22 PolarHBondContact O-N 2.89Š| ||
| 23 | V | 78.3 | Confident | 60.3 | Low | 6 Ų | 6 | 84.7 Ų | 84.7 | 4% | 0.036 | 49% | 0.492 | C | S | . | . | trans | -99.8 | 121.9 | 177 | 173.4 | 0 | 0 | 0 | 0 | 107.4 | D27 V28 F41 T49 F51 Q82 V92 | V23-D27 HydrophobicContact CG1-CB 4.09Å; V23-V28 HydrophobicContact CG1-CG2 4.05Å; V23-F41 HydrophobicContact CG1-CE1 4.47Å; V23-F41 HydrophobicContact CG2-CE1 4.3Å; V23-T49 HydrophobicContact CG2-CG2 4.06Å; V23-F51 HydrophobicContact CG1-CD1 4.05Å; V23-F51 HydrophobicContact CG1-CE1 3.97Å; V23-F51 HydrophobicContact CG1-CE2 4.48Å; V23-F51 HydrophobicContact CG1-CG 4.34Å; V23-F51 HydrophobicContact CG1-CZ 4.2Å; V23-F51 HydrophobicContact CG2-CB 4.29Å; V23-F51 HydrophobicContact CG2-CD1 4.05Å; V23-F51 HydrophobicContact CG2-CG 4.25Å; V23-Q82 PolarHBondContact O-OE1 3.48Å; V23-V92 HydrophobicContact CB-CG2 4.28Å; V23-V92 HydrophobicContact CG2-CB 4.34Å; V23-V92 HydrophobicContact CG2-CG1 3.64Å; V23-V92 HydrophobicContact CG2-CG2 3.69Å | ||
| 24 | S | 81.6 | Confident | 62.3 | Low | 44 Ų | 44 | 80.5 Ų | 80.5 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | trans | -75.4 | 155.4 | -177.9 | 77.1 | 0 | 0 | 0 | 0 | 111.2 | Q26 D27 V28 | S24-Q26 PolarHBondContact O-N 3.48Å; S24-Q26 PolarHBondContact OG-N 2.84Å; S24-D27 VanDerWaalsContact CB-OD2 3.3Å; S24-D27 WeakPolarHBondContact CB-OD2 3.32Å; S24-D27 PolarHBondContact N-OD2 3.15Å; S24-D27 PolarHBondContact O-N 2.9Å; S24-D27 PolarHBondContact OG-N 2.66Å; S24-D27 VanDerWaalsContact OG-N 3.15Å; S24-D27 PolarHBondContact OG-OD1 3.05Å; S24-D27 PolarHBondContact OG-OD2 2.8Å; S24-V28 WeakPolarHBondContact O-CG2 2.92Å; S24-V28 PolarHBondContact O-N 3.39Å | ||
| 25 | S | 77.1 | Confident | 64.2 | Low | 100 Ų | 100 | 79.1 Ų | 79.1 | 70% | 0.699 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.1 | -24.9 | 172.7 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | S29 | S25-S29 PolarHBondContact O-N 3.28Å; S25-S29 PolarHBondContact O-OG 2.83Å |
| 26 | Q | 80.9 | Confident | 66.7 | Low | 94 Ų | 94 | 76.2 Ų | 76.2 | 44% | 0.439 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.4 | -42.8 | 177 | -164.8 | 166.4 | 13.5 | 0 | 0 | 111.4 | S24 V28 S29 L30 S271 | S24-Q26 PolarHBondContact O-N 3.48Å; S24-Q26 PolarHBondContact OG-N 2.84Å; Q26-V28 VanDerWaalsContact C-N 3.27Å; Q26-V28 PolarHBondContact O-N 3.13Å; Q26-S29 PolarHBondContact O-N 3.04Å; Q26-S29 VanDerWaalsContact O-N 3.13Å; Q26-L30 HydrophobicContact CG-CD1 4.49Å; Q26-L30 WeakPolarHBondContact O-CG 3.37Å; Q26-L30 PolarHBondContact O-N 2.96Å; Q26-S271 VanDerWaalsContact CD-CB 3.49Å; Q26-S271 VanDerWaalsContact NE2-CB 3.32Å |
| 27 | D | 83 | Confident | 69.5 | Low | 7 Ų | 7 | 76.4 Ų | 76.4 | 4% | 0.037 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 175.9 | -55.7 | -46.5 | 0 | 0 | 0 | 110.9 | V23 S24 S29 L30 L31 F41 R43 L132 | V23-D27 HydrophobicContact CG1-CB 4.09Å; S24-D27 VanDerWaalsContact CB-OD2 3.3Å; S24-D27 WeakPolarHBondContact CB-OD2 3.32Å; S24-D27 PolarHBondContact N-OD2 3.15Å; S24-D27 PolarHBondContact O-N 2.9Å; S24-D27 PolarHBondContact OG-N 2.66Å; S24-D27 VanDerWaalsContact OG-N 3.15Å; S24-D27 PolarHBondContact OG-OD1 3.05Å; S24-D27 PolarHBondContact OG-OD2 2.8Å; D27-S29 VanDerWaalsContact C-N 3.33Å; D27-S29 PolarHBondContact O-N 3.12Å; D27-L30 PolarHBondContact O-N 2.87Å; D27-L31 WeakPolarHBondContact O-CG 3.44Å; D27-L31 PolarHBondContact O-N 3.37Å; D27-F41 HydrophobicContact CB-CE1 4.46Å; D27-R43 IonicContact OD1-NH2 2.71Å; D27-R43 PolarHBondContact OD1-NH2 3.34Å; D27-R43 IonicContact OD2-NH2 3.93Å; D27-L132 HydrophobicContact CB-CD2 4.29Å |
| 28 | V | 81 | Confident | 72.5 | Confident | 30 Ų | 30 | 71.9 Ų | 71.9 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 112 | V23 S24 Q26 L30 L31 A32 F51 R90 | V23-V28 HydrophobicContact CG1-CG2 4.05Å; S24-V28 WeakPolarHBondContact O-CG2 2.92Å; S24-V28 PolarHBondContact O-N 3.39Å; Q26-V28 VanDerWaalsContact C-N 3.27Å; Q26-V28 PolarHBondContact O-N 3.13Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L31 CarbonylContact O-C 3.54Å; V28-L31 PolarHBondContact O-N 3.11Å; V28-A32 PolarHBondContact O-N 3.45Å; V28-F51 HydrophobicContact CG2-CE2 4.15Å; V28-F51 HydrophobicContact CG2-CZ 4.22Å; V28-R90 VanDerWaalsContact CG2-NH2 3.33Å |
| 29 | S | 80.8 | Confident | 75.3 | Confident | 88 Ų | 88 | 66 Ų | 66 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68.6 | -37 | -178.4 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | S25 Q26 D27 A32 | S25-S29 PolarHBondContact O-N 3.28Å; S25-S29 PolarHBondContact O-OG 2.83Å; Q26-S29 PolarHBondContact O-N 3.04Å; Q26-S29 VanDerWaalsContact O-N 3.13Å; D27-S29 VanDerWaalsContact C-N 3.33Å; D27-S29 PolarHBondContact O-N 3.12Å; S29-A32 VanDerWaalsContact O-CB 3.25Å; S29-A32 WeakPolarHBondContact O-CB 3.31Å; S29-A32 PolarHBondContact O-N 3.25Å |
| 30 | L | 82.2 | Confident | 78 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 176 | -67.7 | 170.1 | 0 | 0 | 0 | 111.7 | Q26 D27 V28 A32 L132 | Q26-L30 HydrophobicContact CG-CD1 4.49Å; Q26-L30 WeakPolarHBondContact O-CG 3.37Å; Q26-L30 PolarHBondContact O-N 2.96Å; D27-L30 PolarHBondContact O-N 2.87Å; V28-L30 VanDerWaalsContact C-N 3.34Å; L30-A32 VanDerWaalsContact C-N 3.31Å; L30-L132 HydrophobicContact CB-CD1 4.14Å; L30-L132 HydrophobicContact CD1-CD1 4.1Å |
| 31 | L | 83.8 | Confident | 80.4 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -90.1 | 11.8 | 176.9 | -59.8 | 170.9 | 0 | 0 | 0 | 113.1 | D27 V28 S33 D34 K39 F41 F51 L132 | D27-L31 WeakPolarHBondContact O-CG 3.44Å; D27-L31 PolarHBondContact O-N 3.37Å; V28-L31 CarbonylContact O-C 3.54Å; V28-L31 PolarHBondContact O-N 3.11Å; L31-S33 VanDerWaalsContact C-N 3.25Å; L31-S33 PolarHBondContact O-N 2.65Å; L31-D34 PolarHBondContact O-N 2.89Å; L31-K39 HydrophobicContact CB-CD 4.28Å; L31-K39 PolarHBondContact O-NZ 2.87Å; L31-F41 HydrophobicContact CD1-CB 4.05Å; L31-F41 HydrophobicContact CD1-CD1 3.66Å; L31-F41 HydrophobicContact CD1-CG 4.18Å; L31-F51 HydrophobicContact CD1-CE1 3.87Å; L31-F51 HydrophobicContact CD1-CZ 4.23Å; L31-L132 HydrophobicContact CD1-CD2 4.32Å; L31-L132 HydrophobicContact CG-CD2 4.38Å |
| 32 | A | 74.6 | Confident | 82.1 | Confident | 66 Ų | 66 | 53.7 Ų | 53.7 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -68.8 | -25.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V28 S29 L30 D34 | V28-A32 PolarHBondContact O-N 3.45Å; S29-A32 VanDerWaalsContact O-CB 3.25Å; S29-A32 WeakPolarHBondContact O-CB 3.31Å; S29-A32 PolarHBondContact O-N 3.25Å; L30-A32 VanDerWaalsContact C-N 3.31Å; A32-D34 VanDerWaalsContact C-N 3.34Å |
| 33 | S | 68.8 | Low | 83.1 | Confident | 114 Ų | 114 | 50.9 Ų | 50.9 | 80% | 0.797 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -76.7 | -17.3 | 175.6 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | L31 S35 | L31-S33 VanDerWaalsContact C-N 3.25Å; L31-S33 PolarHBondContact O-N 2.65Å; S33-S35 PolarHBondContact O-N 2.83Å |
| 34 | D | 73.8 | Confident | 83.5 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | trans | -71.6 | 120 | 175.3 | -169.8 | 1.6 | 0 | 0 | 0 | 109.3 | L31 A32 E36 R123 | L31-D34 PolarHBondContact O-N 2.89Å; A32-D34 VanDerWaalsContact C-N 3.34Å; D34-E36 PolarHBondContact O-N 2.86Å; D34-E36 WeakPolarHBondContact OD1-CB 3.27Å; D34-E36 VanDerWaalsContact OD1-CG 3.28Å; D34-E36 WeakPolarHBondContact OD1-CG 3.43Å; D34-E36 PolarHBondContact OD1-N 2.81Å; D34-E36 VanDerWaalsContact OD1-N 3.11Å; D34-R123 IonicContact OD2-CZ 3.66Å; D34-R123 IonicContact OD2-NH1 3.68Å; D34-R123 PolarHBondContact OD2-NH1 3.09Å; D34-R123 IonicContact OD2-NH2 3.23Å; D34-R123 PolarHBondContact OD2-NH2 3.3Å | ||
| 35 | S | 76.8 | Confident | 83.9 | Confident | 116 Ų | 116 | 50.6 Ų | 50.6 | 81% | 0.811 | 30% | 0.304 | S | S | * | . | trans | -78 | -6.2 | 179.6 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | S33 | S33-S35 PolarHBondContact O-N 2.83Š| ||
| 36 | E | 85.3 | Confident | 84.5 | Confident | 77 Ų | 77 | 49.9 Ų | 49.9 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | trans | -73.7 | 136.8 | -177.8 | -68.6 | -74 | 158.6 | 0 | 0 | 112.2 | D34 R123 | D34-E36 PolarHBondContact O-N 2.86Å; D34-E36 WeakPolarHBondContact OD1-CB 3.27Å; D34-E36 VanDerWaalsContact OD1-CG 3.28Å; D34-E36 WeakPolarHBondContact OD1-CG 3.43Å; D34-E36 PolarHBondContact OD1-N 2.81Å; D34-E36 VanDerWaalsContact OD1-N 3.11Å; E36-R123 VanDerWaalsContact CB-CZ 3.48Å; E36-R123 VanDerWaalsContact CG-CZ 3.5Å; E36-R123 IonicContact OE2-NE 2.65Å | ||
| 37 | P | 85.1 | Confident | 84.9 | Confident | 81 Ų | 81 | 47 Ų | 47 | 53% | 0.526 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -71.3 | -35.5 | -175.5 | 27.1 | -34.4 | 0 | 0 | 0 | 113.2 | I121 | P37-I121 HydrophobicContact CB-CD1 4.23Å; P37-I121 HydrophobicContact CG-CG2 3.84Å |
| 38 | L | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -99.5 | 105.2 | 172.7 | 175 | 69.1 | 0 | 0 | 0 | 108.3 | C50 W52 L65 L109 V111 I121 R123 | L38-C50 HydrophobicContact CD1-CB 4.23Å; L38-W52 HydrophobicContact CD1-CB 4.37Å; L38-W52 HydrophobicContact CD1-CD2 4.3Å; L38-W52 HydrophobicContact CD1-CE3 3.51Å; L38-W52 HydrophobicContact CD1-CZ3 4.19Å; L38-L65 HydrophobicContact CD1-CD1 4.31Å; L38-L65 HydrophobicContact CD2-CD1 3.82Å; L38-L109 HydrophobicContact CD2-CB 3.88Å; L38-L109 HydrophobicContact CD2-CD1 4.04Å; L38-V111 HydrophobicContact CD1-CG2 4.12Å; L38-V111 HydrophobicContact CD2-CG2 4.33Å; L38-I121 HydrophobicContact CB-CG2 3.88Å; L38-R123 WeakPolarHBondContact O-CD 3.24Å; L38-R123 PolarHBondContact O-NH1 3.37Å |
| 39 | K | 92.8 | Very high | 86 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 136.4 | -177.9 | -62.2 | -172.1 | 178.9 | -161.2 | 0 | 110.4 | L31 C50 F51 | L31-K39 HydrophobicContact CB-CD 4.28Å; L31-K39 PolarHBondContact O-NZ 2.87Å; K39-C50 CarbonylContact O-C 3.54Å; K39-C50 WeakPolarHBondContact O-CA 3.48Å; K39-F51 HydrophobicContact CB-CD1 4.14Å; K39-F51 HydrophobicContact CB-CE1 3.7Å; K39-F51 HydrophobicContact CB-CE2 4.12Å; K39-F51 HydrophobicContact CB-CZ 3.7Å; K39-F51 HydrophobicContact CD-CE2 4.06Å; K39-F51 HydrophobicContact CD-CZ 3.85Å; K39-F51 HydrophobicContact CG-CZ 4.34Å; K39-F51 PolarHBondContact N-O 3.13Å; K39-F51 PolarHBondContact O-N 2.87Å |
| 40 | C | 92.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 146.5 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | L48 T49 C50 L125 | C40-L48 HydrophobicContact CB-CD1 4.14Å; C40-T49 CarbonylContact C-O 3.58Å; C40-T49 VanDerWaalsContact CA-O 3.25Å; C40-T49 WeakPolarHBondContact CA-O 3.31Å; C40-C50 HydrophobicContact CB-CB 4.15Å; C40-C50 WeakPolarHBondContact CB-SG 3.35Å; C40-C50 WeakPolarHBondContact SG-CB 3.24Å; C40-C50 CovalentContact SG-SG 2.05Å; C40-C50 PolarHBondContact SG-SG 2.89Å; C40-L125 HydrophobicContact CB-CD1 4.31Å; C40-L125 HydrophobicContact CB-CD2 3.68Å |
| 41 | F | 93.3 | Very high | 87.1 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.5 | 174.1 | 67.7 | -89.4 | 0 | 0 | 0 | 111.9 | V23 D27 L31 R43 T49 F51 V130 L132 | V23-F41 HydrophobicContact CG1-CE1 4.47Å; V23-F41 HydrophobicContact CG2-CE1 4.3Å; D27-F41 HydrophobicContact CB-CE1 4.46Å; L31-F41 HydrophobicContact CD1-CB 4.05Å; L31-F41 HydrophobicContact CD1-CD1 3.66Å; L31-F41 HydrophobicContact CD1-CG 4.18Å; F41-R43 HydrophobicContact CD2-CG 4.31Å; F41-R43 HydrophobicContact CE2-CG 4.16Å; F41-T49 HydrophobicContact CE1-CG2 4.05Å; F41-T49 HydrophobicContact CZ-CG2 3.99Å; F41-T49 PolarHBondContact N-O 2.76Å; F41-T49 PolarHBondContact O-N 3.23Å; F41-F51 HydrophobicContact CD1-CD1 4.47Å; F41-F51 HydrophobicContact CD1-CE1 4.14Å; F41-F51 HydrophobicContact CE1-CD1 4.21Å; F41-F51 HydrophobicContact CE1-CE1 4.07Å; F41-V130 CarbonylContact C-O 3.49Å; F41-V130 VanDerWaalsContact CA-O 3.31Å; F41-V130 WeakPolarHBondContact CA-O 3.39Å; F41-L132 HydrophobicContact CB-CB 3.77Å; F41-L132 HydrophobicContact CB-CD2 4.1Å; F41-L132 HydrophobicContact CD1-CD2 4.45Å; F41-L132 HydrophobicContact CD2-CB 4.13Å; F41-L132 HydrophobicContact CD2-CD2 3.94Å; F41-L132 HydrophobicContact CG-CB 4.24Å; F41-L132 HydrophobicContact CG-CD2 3.91Å |
| 42 | S | 91.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -128.1 | 135.1 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | F45 D47 V130 G131 L132 | S42-F45 WeakPolarHBondContact OG-CA 3.32Å; S42-F45 PolarHBondContact OG-N 2.67Å; S42-D47 WeakPolarHBondContact CB-O 3.34Å; S42-D47 PolarHBondContact OG-O 2.81Å; S42-D47 PolarHBondContact OG-OD1 2.96Å; S42-V130 PolarHBondContact N-O 3.39Å; S42-G131 CarbonylContact O-C 3.58Å; S42-L132 CarbonylContact O-C 3.45Å; S42-L132 PolarHBondContact O-N 2.67Å |
| 43 | R | 89.1 | Confident | 88.2 | Confident | 99 Ų | 99 | 39.1 Ų | 39.1 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -93.2 | -32.6 | 178.6 | -66.9 | -170.8 | 169.9 | -169.5 | -0.7 | 112.5 | D27 F41 D47 | D27-R43 IonicContact OD1-NH2 2.71Å; D27-R43 PolarHBondContact OD1-NH2 3.34Å; D27-R43 IonicContact OD2-NH2 3.93Å; F41-R43 HydrophobicContact CD2-CG 4.31Å; F41-R43 HydrophobicContact CE2-CG 4.16Å; R43-D47 PolarHBondContact N-OD1 2.79Å; R43-D47 PolarHBondContact N-OD2 2.93Å |
| 44 | T | 88.2 | Confident | 89 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 25% | 0.245 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -120.7 | -2 | -175.9 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | E46 D47 A158 | T44-E46 PolarHBondContact O-N 3.5Å; T44-E46 VanDerWaalsContact O-N 3.16Å; T44-E46 PolarHBondContact OG1-N 3.31Å; T44-D47 PolarHBondContact N-OD1 2.94Å; T44-D47 PolarHBondContact OG1-OD1 3.29Å; T44-A158 HydrophobicContact CG2-CB 4.17Å |
| 45 | F | 89.3 | Confident | 89.4 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 63.9 | 5.1 | -169.3 | -62.8 | -88 | 0 | 0 | 0 | 114.5 | S42 L103 I161 P260 L265 | S42-F45 WeakPolarHBondContact OG-CA 3.32Å; S42-F45 PolarHBondContact OG-N 2.67Å; F45-L103 HydrophobicContact CB-CD1 4.21Å; F45-L103 HydrophobicContact CB-CD2 3.97Å; F45-L103 HydrophobicContact CD1-CD2 4.24Å; F45-L103 WeakPolarHBondContact O-CD2 3.41Å; F45-I161 HydrophobicContact CD2-CD1 3.48Å; F45-I161 VanDerWaalsContact CD2-CD1 3.48Å; F45-I161 HydrophobicContact CD2-CG2 4.49Å; F45-I161 HydrophobicContact CE2-CD1 3.83Å; F45-P260 HydrophobicContact CE2-CG 4.2Å; F45-P260 HydrophobicContact CZ-CB 4.17Å; F45-P260 HydrophobicContact CZ-CG 3.74Å; F45-L265 HydrophobicContact CD1-CD1 4.5Å; F45-L265 HydrophobicContact CD1-CD2 3.88Å; F45-L265 HydrophobicContact CD2-CD1 3.73Å; F45-L265 HydrophobicContact CE1-CB 3.99Å; F45-L265 HydrophobicContact CE1-CD1 4.46Å; F45-L265 HydrophobicContact CE1-CD2 3.98Å; F45-L265 HydrophobicContact CE1-CG 4.36Å; F45-L265 HydrophobicContact CE2-CB 4.14Å; F45-L265 HydrophobicContact CE2-CD1 3.69Å; F45-L265 HydrophobicContact CE2-CG 4.37Å; F45-L265 HydrophobicContact CG-CD1 4.12Å; F45-L265 HydrophobicContact CG-CD2 4.14Å; F45-L265 HydrophobicContact CZ-CB 3.66Å; F45-L265 HydrophobicContact CZ-CD1 4.05Å; F45-L265 HydrophobicContact CZ-CD2 4.34Å; F45-L265 HydrophobicContact CZ-CG 4.22Å |
| 46 | E | 89.2 | Confident | 89.6 | Confident | 84 Ų | 84 | 45.2 Ų | 45.2 | 39% | 0.393 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -112.8 | -5.7 | 169.8 | -58.4 | -176.5 | 159.2 | 0 | 0 | 111.5 | T44 Q98 V101 | T44-E46 PolarHBondContact O-N 3.5Å; T44-E46 VanDerWaalsContact O-N 3.16Å; T44-E46 PolarHBondContact OG1-N 3.31Å; E46-Q98 HydrophobicContact CB-CB 4.35Å; E46-Q98 HydrophobicContact CB-CG 4.29Å; E46-Q98 WeakPolarHBondContact O-CA 3.47Å; E46-V101 WeakPolarHBondContact O-CG2 3.27Å |
| 47 | D | 90.4 | Very high | 89 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | trans | -116.7 | 155.1 | 175.6 | 71.1 | -32.1 | 0 | 0 | 0 | 111 | S42 R43 T44 | S42-D47 WeakPolarHBondContact CB-O 3.34Å; S42-D47 PolarHBondContact OG-O 2.81Å; S42-D47 PolarHBondContact OG-OD1 2.96Å; R43-D47 PolarHBondContact N-OD1 2.79Å; R43-D47 PolarHBondContact N-OD2 2.93Å; T44-D47 PolarHBondContact N-OD1 2.94Å; T44-D47 PolarHBondContact OG1-OD1 3.29Å | ||
| 48 | L | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -142.3 | 125.4 | 171.4 | -174.9 | 66.5 | 0 | 0 | 0 | 109.7 | C40 F95 V101 L107 L125 V127 V130 | C40-L48 HydrophobicContact CB-CD1 4.14Å; L48-F95 HydrophobicContact CB-CB 4.38Å; L48-F95 HydrophobicContact CB-CD1 4.03Å; L48-F95 HydrophobicContact CB-CD2 4.38Å; L48-F95 HydrophobicContact CB-CE1 4.48Å; L48-F95 HydrophobicContact CB-CG 4Å; L48-F95 HydrophobicContact CD2-CD1 4.17Å; L48-F95 HydrophobicContact CD2-CD2 4.43Å; L48-F95 HydrophobicContact CD2-CE1 3.78Å; L48-F95 HydrophobicContact CD2-CE2 4.04Å; L48-F95 HydrophobicContact CD2-CZ 3.72Å; L48-F95 HydrophobicContact CG-CD1 4.26Å; L48-F95 HydrophobicContact CG-CE1 4.27Å; L48-F95 WeakPolarHBondContact O-CD1 3.05Å; L48-F95 PolarHBondContact O-N 2.87Å; L48-V101 HydrophobicContact CB-CG2 4.28Å; L48-L107 HydrophobicContact CD2-CD2 3.41Å; L48-L107 VanDerWaalsContact CD2-CD2 3.41Å; L48-L125 HydrophobicContact CD1-CD2 3.84Å; L48-L125 HydrophobicContact CD2-CD2 3.97Å; L48-V127 HydrophobicContact CD1-CG1 4.39Å; L48-V127 HydrophobicContact CD1-CG2 4.34Å; L48-V127 HydrophobicContact CD2-CG2 4.07Å; L48-V130 HydrophobicContact CD1-CG2 4.2Å | ||
| 49 | T | 93.4 | Very high | 88 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 125.7 | 173.5 | -57.2 | 0 | 0 | 0 | 0 | 109 | V23 C40 F41 V92 C93 | V23-T49 HydrophobicContact CG2-CG2 4.06Å; C40-T49 CarbonylContact C-O 3.58Å; C40-T49 VanDerWaalsContact CA-O 3.25Å; C40-T49 WeakPolarHBondContact CA-O 3.31Å; F41-T49 HydrophobicContact CE1-CG2 4.05Å; F41-T49 HydrophobicContact CZ-CG2 3.99Å; F41-T49 PolarHBondContact N-O 2.76Å; F41-T49 PolarHBondContact O-N 3.23Å; T49-V92 HydrophobicContact CG2-CG1 3.79Å; T49-C93 CarbonylContact C-O 3.6Å; T49-C93 VanDerWaalsContact CA-O 3.32Å; T49-C93 WeakPolarHBondContact CA-O 3.24Å |
| 50 | C | 93.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.2 | 177.2 | -68 | 0 | 0 | 0 | 0 | 110.6 | L38 K39 C40 L65 V92 C93 | L38-C50 HydrophobicContact CD1-CB 4.23Å; K39-C50 CarbonylContact O-C 3.54Å; K39-C50 WeakPolarHBondContact O-CA 3.48Å; C40-C50 HydrophobicContact CB-CB 4.15Å; C40-C50 WeakPolarHBondContact CB-SG 3.35Å; C40-C50 WeakPolarHBondContact SG-CB 3.24Å; C40-C50 CovalentContact SG-SG 2.05Å; C40-C50 PolarHBondContact SG-SG 2.89Å; C50-L65 HydrophobicContact CB-CD2 4.18Å; C50-V92 WeakPolarHBondContact O-CA 3.28Å; C50-C93 PolarHBondContact N-O 3.03Å; C50-C93 PolarHBondContact O-N 2.94Å |
| 51 | F | 92.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157.3 | 178.9 | 72 | -85 | 0 | 0 | 0 | 113.1 | V23 V28 L31 K39 F41 R90 Y91 V92 | V23-F51 HydrophobicContact CG1-CD1 4.05Å; V23-F51 HydrophobicContact CG1-CE1 3.97Å; V23-F51 HydrophobicContact CG1-CE2 4.48Å; V23-F51 HydrophobicContact CG1-CG 4.34Å; V23-F51 HydrophobicContact CG1-CZ 4.2Å; V23-F51 HydrophobicContact CG2-CB 4.29Å; V23-F51 HydrophobicContact CG2-CD1 4.05Å; V23-F51 HydrophobicContact CG2-CG 4.25Å; V28-F51 HydrophobicContact CG2-CE2 4.15Å; V28-F51 HydrophobicContact CG2-CZ 4.22Å; L31-F51 HydrophobicContact CD1-CE1 3.87Å; L31-F51 HydrophobicContact CD1-CZ 4.23Å; K39-F51 HydrophobicContact CB-CD1 4.14Å; K39-F51 HydrophobicContact CB-CE1 3.7Å; K39-F51 HydrophobicContact CB-CE2 4.12Å; K39-F51 HydrophobicContact CB-CZ 3.7Å; K39-F51 HydrophobicContact CD-CE2 4.06Å; K39-F51 HydrophobicContact CD-CZ 3.85Å; K39-F51 HydrophobicContact CG-CZ 4.34Å; K39-F51 PolarHBondContact N-O 3.13Å; K39-F51 PolarHBondContact O-N 2.87Å; F41-F51 HydrophobicContact CD1-CD1 4.47Å; F41-F51 HydrophobicContact CD1-CE1 4.14Å; F41-F51 HydrophobicContact CE1-CD1 4.21Å; F41-F51 HydrophobicContact CE1-CE1 4.07Å; F51-R90 HydrophobicContact CB-CG 4.17Å; F51-R90 HydrophobicContact CD2-CG 4.15Å; F51-Y91 WeakPolarHBondContact CA-O 3.41Å; F51-Y91 VanDerWaalsContact CB-O 3.27Å; F51-Y91 WeakPolarHBondContact CB-O 3.37Å; F51-V92 HydrophobicContact CB-CB 4.46Å; F51-V92 HydrophobicContact CB-CG2 3.87Å |
| 52 | W | 91.6 | Very high | 86.2 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 2% | 0.023 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 158.8 | 170.1 | 70.7 | 99.9 | 0 | 0 | 0 | 109.6 | L38 Y63 L65 L79 R90 Y91 V111 | L38-W52 HydrophobicContact CD1-CB 4.37Å; L38-W52 HydrophobicContact CD1-CD2 4.3Å; L38-W52 HydrophobicContact CD1-CE3 3.51Å; L38-W52 HydrophobicContact CD1-CZ3 4.19Å; W52-Y63 HydrophobicContact CZ2-CD2 4.44Å; W52-Y63 HydrophobicContact CZ2-CG 4.17Å; W52-L65 HydrophobicContact CH2-CB 4.45Å; W52-L65 HydrophobicContact CZ3-CB 4.38Å; W52-L79 HydrophobicContact CH2-CD1 3.99Å; W52-L79 HydrophobicContact CH2-CD2 3.48Å; W52-L79 VanDerWaalsContact CH2-CD2 3.48Å; W52-L79 HydrophobicContact CH2-CG 4.41Å; W52-L79 HydrophobicContact CZ3-CD2 3.7Å; W52-R90 WeakPolarHBondContact O-CA 3.25Å; W52-Y91 AromaticContact CE2-CD2 3.88Å; W52-Y91 AromaticContact CE2-CG 3.99Å; W52-Y91 HydrophobicContact CH2-CG 4.31Å; W52-Y91 HydrophobicContact CZ2-CD2 4.01Å; W52-Y91 AromaticContact CZ2-CG 3.74Å; W52-Y91 HydrophobicContact CZ2-CG 3.74Å; W52-Y91 PolarHBondContact N-O 3.4Å; W52-Y91 VanDerWaalsContact N-O 3.13Å; W52-Y91 AromaticContact NE1-CD2 3.71Å; W52-Y91 PolarHBondContact O-N 3.25Å; W52-V111 HydrophobicContact CD2-CG2 4.34Å; W52-V111 HydrophobicContact CE3-CG2 4.18Å; W52-V111 HydrophobicContact CH2-CG1 4.13Å; W52-V111 HydrophobicContact CH2-CG2 4.32Å; W52-V111 HydrophobicContact CZ2-CG1 3.7Å; W52-V111 HydrophobicContact CZ2-CG2 4.48Å; W52-V111 HydrophobicContact CZ3-CG2 4.17Å |
| 53 | D | 89.1 | Confident | 86.2 | Confident | 66 Ų | 66 | 55 Ų | 55 | 35% | 0.353 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.4 | -176.4 | -65 | -19 | 0 | 0 | 0 | 109.9 | R90 | D53-R90 WeakPolarHBondContact OD1-CB 3.33Å; D53-R90 VanDerWaalsContact OD1-CG 3.23Å; D53-R90 WeakPolarHBondContact OD1-CG 3.44Å; D53-R90 IonicContact OD1-CZ 3.5Å; D53-R90 IonicContact OD1-NE 3.57Å; D53-R90 PolarHBondContact OD1-NE 2.05Å; D53-R90 IonicContact OD1-NH2 2.76Å; D53-R90 PolarHBondContact OD1-NH2 3.12Å; D53-R90 IonicContact OD2-CZ 2.67Å; D53-R90 IonicContact OD2-NE 3.23Å; D53-R90 IonicContact OD2-NH2 3.89Å; D53-R90 PolarHBondContact OD2-NH2 3.35Å |
| 54 | E | 87.5 | Confident | 86.3 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.1 | 174.7 | -75.7 | -69.3 | 171.9 | 0 | 0 | 109.7 | E56 Y63 G88 T89 Y91 | E54-E56 VanDerWaalsContact C-N 3.32Å; E54-E56 PolarHBondContact O-N 3.01Å; E54-Y63 HydrophobicContact CG-CE2 4.13Å; E54-G88 CarbonylContact O-C 3.51Å; E54-G88 WeakPolarHBondContact O-CA 3.24Å; E54-T89 PolarHBondContact N-O 2.88Å; E54-T89 PolarHBondContact O-N 3.26Å; E54-Y91 HydrophobicContact CB-CE2 4.1Å; E54-Y91 HydrophobicContact CG-CD2 4.23Å; E54-Y91 HydrophobicContact CG-CE2 3.97Å |
| 55 | E | 82.2 | Confident | 86.6 | Confident | 180 Ų | 180 | 51.9 Ų | 51.9 | 84% | 0.841 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -64 | -37.8 | -177.8 | -67.9 | -176.1 | 173.2 | 0 | 0 | 112.1 | G88 | E55-G88 VanDerWaalsContact O-CA 3.24Å; E55-G88 WeakPolarHBondContact O-CA 3.5Å |
| 56 | E | 79 | Confident | 86.7 | Confident | 166 Ų | 166 | 53.2 Ų | 53.2 | 78% | 0.776 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -111.9 | 141.6 | 179.4 | -65.3 | -169.1 | 168.5 | 0 | 0 | 111.7 | E54 A58 | E54-E56 VanDerWaalsContact C-N 3.32Å; E54-E56 PolarHBondContact O-N 3.01Å; E56-A58 PolarHBondContact O-N 3.37Å; E56-A58 VanDerWaalsContact O-N 3.13Å |
| 57 | A | 73.9 | Confident | 86.9 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 63% | 0.628 | 29% | 0.289 | S | S | * | . | trans | -69.9 | 108.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T89 | A57-T89 WeakPolarHBondContact CA-OG1 3.08Å; A57-T89 VanDerWaalsContact CB-OG1 3.24Å; A57-T89 WeakPolarHBondContact CB-OG1 3.06Å | ||
| 58 | A | 77.1 | Confident | 87.1 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 150 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | E56 T62 Y63 Y91 | E56-A58 PolarHBondContact O-N 3.37Å; E56-A58 VanDerWaalsContact O-N 3.13Å; A58-T62 HydrophobicContact CB-CG2 3.87Å; A58-Y63 HydrophobicContact CB-CD2 4.16Å; A58-Y63 HydrophobicContact CB-CE2 3.65Å; A58-Y91 WeakPolarHBondContact CA-OH 3.37Å; A58-Y91 VanDerWaalsContact CB-OH 3.27Å; A58-Y91 WeakPolarHBondContact CB-OH 3.25Å; A58-Y91 PolarHBondContact N-OH 3.27Å; A58-Y91 PolarHBondContact O-OH 2.9Å |
| 59 | P | 79 | Confident | 87.2 | Confident | 89 Ų | 89 | 48.7 Ų | 48.7 | 58% | 0.578 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 148.4 | 173.4 | -24.4 | 30.6 | 0 | 0 | 0 | 112.2 | G61 T62 | P59-G61 PolarHBondContact O-N 3.39Å; P59-T62 VanDerWaalsContact CD-OG1 3.31Å; P59-T62 WeakPolarHBondContact CD-OG1 3.44Å; P59-T62 VanDerWaalsContact O-CB 3.31Å; P59-T62 WeakPolarHBondContact O-CB 3.24Å; P59-T62 PolarHBondContact O-N 3.05Å; P59-T62 PolarHBondContact O-OG1 2.76Å |
| 60 | S | 76.1 | Confident | 87.1 | Confident | 124 Ų | 124 | 51.9 Ų | 51.9 | 87% | 0.867 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 131.9 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 61 | G | 79.3 | Confident | 86.9 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 55% | 0.546 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P59 Y63 | P59-G61 PolarHBondContact O-N 3.39Å; G61-Y63 VanDerWaalsContact C-N 3.32Å; G61-Y63 PolarHBondContact O-N 2.81Å |
| 62 | T | 85.8 | Confident | 86.9 | Confident | 10 Ų | 10 | 59 Ų | 59 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -61.3 | -42.5 | 173.5 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | A58 P59 N113 V114 F115 | A58-T62 HydrophobicContact CB-CG2 3.87Å; P59-T62 VanDerWaalsContact CD-OG1 3.31Å; P59-T62 WeakPolarHBondContact CD-OG1 3.44Å; P59-T62 VanDerWaalsContact O-CB 3.31Å; P59-T62 WeakPolarHBondContact O-CB 3.24Å; P59-T62 PolarHBondContact O-N 3.05Å; P59-T62 PolarHBondContact O-OG1 2.76Å; T62-N113 CarbonylContact O-C 3.45Å; T62-N113 WeakPolarHBondContact O-CA 3.32Å; T62-V114 PolarHBondContact O-N 2.79Å; T62-F115 VanDerWaalsContact CA-CE2 3.48Å; T62-F115 HydrophobicContact CG2-CD2 4.02Å; T62-F115 HydrophobicContact CG2-CE2 4.37Å; T62-F115 WeakPolarHBondContact OG1-CE2 2.99Å |
| 63 | Y | 90.4 | Very high | 86.9 | Confident | 32 Ų | 32 | 67.4 Ų | 67.4 | 13% | 0.125 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 144.5 | -177.6 | -62.4 | -59.3 | 0 | 0 | 0 | 111.3 | W52 E54 A58 G61 L79 Y91 V111 K112 N113 | W52-Y63 HydrophobicContact CZ2-CD2 4.44Å; W52-Y63 HydrophobicContact CZ2-CG 4.17Å; E54-Y63 HydrophobicContact CG-CE2 4.13Å; A58-Y63 HydrophobicContact CB-CD2 4.16Å; A58-Y63 HydrophobicContact CB-CE2 3.65Å; G61-Y63 VanDerWaalsContact C-N 3.32Å; G61-Y63 PolarHBondContact O-N 2.81Å; Y63-L79 VanDerWaalsContact O-CD1 3.24Å; Y63-L79 WeakPolarHBondContact O-CD1 3.23Å; Y63-Y91 HydrophobicContact CD2-CD2 4.17Å; Y63-Y91 HydrophobicContact CD2-CE1 4.28Å; Y63-Y91 AromaticContact CD2-CE2 3.74Å; Y63-Y91 HydrophobicContact CD2-CE2 3.74Å; Y63-Y91 AromaticContact CD2-CZ 3.81Å; Y63-Y91 AromaticContact CE2-CE2 3.93Å; Y63-Y91 HydrophobicContact CE2-CE2 3.93Å; Y63-V111 HydrophobicContact CD1-CG1 4.28Å; Y63-K112 WeakPolarHBondContact CA-O 3.31Å; Y63-N113 HydrophobicContact CD1-CB 4.35Å; Y63-N113 HydrophobicContact CE1-CB 4.2Å |
| 64 | Q | 92 | Very high | 87 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 34% | 0.341 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 126 | 171 | -170.8 | 172.6 | 41.8 | 0 | 0 | 108.9 | L66 A76 K112 V114 | Q64-L66 HydrophobicContact CG-CD2 3.95Å; Q64-L66 HydrophobicContact CG-CG 4.46Å; Q64-A76 HydrophobicContact CG-CB 4.09Å; Q64-A76 VanDerWaalsContact NE2-CB 3.27Å; Q64-K112 PolarHBondContact N-O 2.93Å; Q64-K112 PolarHBondContact O-N 3.26Å; Q64-V114 HydrophobicContact CB-CG2 3.69Å |
| 65 | L | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.5 | 171.4 | -175.5 | 75.2 | 0 | 0 | 0 | 108.3 | L38 C50 W52 C77 L79 C93 W110 V111 | L38-L65 HydrophobicContact CD1-CD1 4.31Å; L38-L65 HydrophobicContact CD2-CD1 3.82Å; C50-L65 HydrophobicContact CB-CD2 4.18Å; W52-L65 HydrophobicContact CH2-CB 4.45Å; W52-L65 HydrophobicContact CZ3-CB 4.38Å; L65-C77 HydrophobicContact CB-CB 4.41Å; L65-C77 HydrophobicContact CD2-CB 4.27Å; L65-C77 PolarHBondContact O-N 3.35Å; L65-L79 HydrophobicContact CB-CD1 4.41Å; L65-L79 HydrophobicContact CB-CD2 4.11Å; L65-L79 HydrophobicContact CB-CG 4.42Å; L65-C93 HydrophobicContact CD2-CB 3.48Å; L65-C93 VanDerWaalsContact CD2-CB 3.48Å; L65-C93 WeakPolarHBondContact CD2-SG 3.22Å; L65-W110 CarbonylContact C-O 3.53Å; L65-W110 WeakPolarHBondContact CA-O 3.4Å; L65-V111 HydrophobicContact CD1-CG2 3.56Å |
| 66 | L | 93.4 | Very high | 87.7 | Confident | 31 Ų | 31 | 63.3 Ų | 63.3 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 145 | 176.5 | -58.3 | 174.6 | 0 | 0 | 0 | 109.9 | Q64 P74 R75 A76 L109 W110 K112 | Q64-L66 HydrophobicContact CG-CD2 3.95Å; Q64-L66 HydrophobicContact CG-CG 4.46Å; L66-P74 HydrophobicContact CB-CB 4.46Å; L66-R75 CarbonylContact C-O 3.54Å; L66-R75 WeakPolarHBondContact CA-O 3.45Å; L66-A76 HydrophobicContact CD2-CB 3.91Å; L66-L109 WeakPolarHBondContact O-CA 3.16Å; L66-W110 HydrophobicContact CB-CB 4.4Å; L66-W110 HydrophobicContact CB-CE3 4.18Å; L66-W110 PolarHBondContact N-O 3.37Å; L66-W110 PolarHBondContact O-N 2.99Å; L66-K112 HydrophobicContact CD1-CD 4.2Å |
| 67 | Y | 93.4 | Very high | 88.3 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 4% | 0.035 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 147.1 | 177.3 | 66.5 | -82.2 | 0 | 0 | 0 | 112.3 | P74 R75 C77 F95 E100 L107 H108 | Y67-P74 WeakPolarHBondContact O-CA 3.27Å; Y67-R75 HydrophobicContact CD1-CB 4.35Å; Y67-R75 WeakPolarHBondContact CD1-O 3.43Å; Y67-R75 HydrophobicContact CE1-CB 3.85Å; Y67-R75 HydrophobicContact CE2-CB 4.14Å; Y67-R75 PolarHBondContact N-O 3.2Å; Y67-R75 PolarHBondContact O-N 3.35Å; Y67-C77 HydrophobicContact CD1-CB 4.07Å; Y67-C77 HydrophobicContact CE1-CB 4Å; Y67-F95 HydrophobicContact CD1-CE2 4.4Å; Y67-F95 HydrophobicContact CD1-CZ 4.02Å; Y67-F95 HydrophobicContact CD2-CD2 4.42Å; Y67-F95 AromaticContact CD2-CE2 3.5Å; Y67-F95 HydrophobicContact CD2-CE2 3.5Å; Y67-F95 VanDerWaalsContact CD2-CE2 3.5Å; Y67-F95 AromaticContact CD2-CZ 3.78Å; Y67-F95 HydrophobicContact CD2-CZ 3.78Å; Y67-F95 HydrophobicContact CE2-CD2 4.23Å; Y67-F95 AromaticContact CE2-CE2 3.74Å; Y67-F95 HydrophobicContact CE2-CE2 3.74Å; Y67-F95 HydrophobicContact CE2-CZ 4.31Å; Y67-F95 AromaticContact CG-CE2 3.86Å; Y67-F95 HydrophobicContact CG-CE2 3.86Å; Y67-F95 AromaticContact CG-CZ 3.62Å; Y67-F95 HydrophobicContact CG-CZ 3.62Å; Y67-E100 PolarHBondContact OH-OE2 3.02Å; Y67-L107 HydrophobicContact CD2-CD1 4.36Å; Y67-H108 VanDerWaalsContact CA-O 3.24Å; Y67-H108 WeakPolarHBondContact CA-O 3.44Å |
| 68 | A | 94.1 | Very high | 89 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.033 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 148.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H108 W110 | A68-H108 PolarHBondContact N-O 2.79Å; A68-H108 PolarHBondContact O-N 3.19Å; A68-W110 HydrophobicContact CB-CH2 4.05Å; A68-W110 HydrophobicContact CB-CZ3 3.87Å |
| 69 | Y | 93.6 | Very high | 89.7 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 4% | 0.035 | 35% | 0.353 | C | S | . | . | trans | -85.9 | 161.2 | 162 | -66.4 | -79.8 | 0 | 0 | 0 | 111 | G71 E72 E100 R102 F105 L107 | Y69-G71 PolarHBondContact O-N 3.44Å; Y69-E72 WeakPolarHBondContact O-CB 3.32Å; Y69-E72 PolarHBondContact O-N 2.85Å; Y69-E100 VanDerWaalsContact CE2-O 3.23Å; Y69-E100 WeakPolarHBondContact CE2-O 3.43Å; Y69-E100 PolarHBondContact OH-O 3.2Å; Y69-R102 HydrophobicContact CE1-CB 3.8Å; Y69-R102 HydrophobicContact CE1-CG 4.32Å; Y69-R102 HydrophobicContact CE2-CB 4.46Å; Y69-R102 HydrophobicContact CE2-CG 4.13Å; Y69-R102 PolarHBondContact OH-N 2.93Å; Y69-F105 HydrophobicContact CD1-CB 3.93Å; Y69-F105 HydrophobicContact CE1-CB 4.04Å; Y69-L107 HydrophobicContact CD1-CD1 4.33Å; Y69-L107 HydrophobicContact CD2-CD1 4.33Å; Y69-L107 HydrophobicContact CE1-CB 4.09Å; Y69-L107 HydrophobicContact CE1-CD1 3.99Å; Y69-L107 HydrophobicContact CE2-CD1 3.99Å; Y69-L107 HydrophobicContact CG-CD1 4.49Å | ||
| 70 | P | 91.5 | Very high | 90.1 | Very high | 80 Ų | 80 | 54 Ų | 54 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 126.9 | 178 | -26.7 | 35 | 0 | 0 | 0 | 111.9 | E72 P106 | P70-E72 VanDerWaalsContact C-N 3.35Å; P70-P106 VanDerWaalsContact CD-O 3.31Å; P70-P106 WeakPolarHBondContact CD-O 3.41Å; P70-P106 HydrophobicContact CG-CG 3.84Å |
| 71 | G | 89.3 | Confident | 90.7 | Very high | 92 Ų | 92 | 51.8 Ų | 51.8 | 95% | 0.948 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -4.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y69 | Y69-G71 PolarHBondContact O-N 3.44Š|
| 72 | E | 92.4 | Very high | 91 | Very high | 58 Ų | 58 | 50.7 Ų | 50.7 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -96.9 | 161.2 | 177.7 | -61.4 | -168.6 | 168.9 | 0 | 0 | 113.2 | Y69 P70 R75 R102 | Y69-E72 WeakPolarHBondContact O-CB 3.32Å; Y69-E72 PolarHBondContact O-N 2.85Å; P70-E72 VanDerWaalsContact C-N 3.35Å; E72-R75 IonicContact OE1-NH2 3.16Å; E72-R75 IonicContact OE2-CZ 3.8Å; E72-R75 IonicContact OE2-NE 3.78Å; E72-R75 IonicContact OE2-NH2 2.82Å; E72-R75 PolarHBondContact OE2-NH2 3.13Å; E72-R102 IonicContact OE1-CZ 2.67Å; E72-R102 IonicContact OE1-NH1 3.29Å; E72-R102 PolarHBondContact OE1-NH1 3.41Å; E72-R102 IonicContact OE1-NH2 3.36Å; E72-R102 PolarHBondContact OE1-NH2 3.49Å; E72-R102 IonicContact OE2-NH1 3.65Å |
| 73 | K | 92.3 | Very high | 90.9 | Very high | 182 Ų | 182 | 55.5 Ų | 55.5 | 79% | 0.791 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 136.9 | 171.8 | -67.4 | -177.7 | 180 | 177.4 | 0 | 110 | R75 | K73-R75 PolarHBondContact O-N 3.22Š|
| 74 | P | 92.3 | Very high | 90.4 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -56 | 130.6 | 175.3 | -25.6 | 34.5 | 0 | 0 | 0 | 113 | L66 Y67 | L66-P74 HydrophobicContact CB-CB 4.46Å; Y67-P74 WeakPolarHBondContact O-CA 3.27Å |
| 75 | R | 91.7 | Very high | 89.5 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 33% | 0.328 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 152.3 | 176.1 | -52.4 | -178.9 | -147.7 | -174.1 | 5.2 | 109.4 | L66 Y67 E72 K73 E100 | L66-R75 CarbonylContact C-O 3.54Å; L66-R75 WeakPolarHBondContact CA-O 3.45Å; Y67-R75 HydrophobicContact CD1-CB 4.35Å; Y67-R75 WeakPolarHBondContact CD1-O 3.43Å; Y67-R75 HydrophobicContact CE1-CB 3.85Å; Y67-R75 HydrophobicContact CE2-CB 4.14Å; Y67-R75 PolarHBondContact N-O 3.2Å; Y67-R75 PolarHBondContact O-N 3.35Å; E72-R75 IonicContact OE1-NH2 3.16Å; E72-R75 IonicContact OE2-CZ 3.8Å; E72-R75 IonicContact OE2-NE 3.78Å; E72-R75 IonicContact OE2-NH2 2.82Å; E72-R75 PolarHBondContact OE2-NH2 3.13Å; K73-R75 PolarHBondContact O-N 3.22Å; R75-E100 IonicContact NH1-OE1 3.78Å; R75-E100 PolarHBondContact NH1-OE1 3.36Å |
| 76 | A | 91.5 | Very high | 88.3 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 40% | 0.397 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 133.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q64 L66 | Q64-A76 HydrophobicContact CG-CB 4.09Å; Q64-A76 VanDerWaalsContact NE2-CB 3.27Å; L66-A76 HydrophobicContact CD2-CB 3.91Å |
| 77 | C | 90.9 | Very high | 87.2 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 5% | 0.047 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 138.9 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 111 | L65 Y67 L79 C93 | L65-C77 HydrophobicContact CB-CB 4.41Å; L65-C77 HydrophobicContact CD2-CB 4.27Å; L65-C77 PolarHBondContact O-N 3.35Å; Y67-C77 HydrophobicContact CD1-CB 4.07Å; Y67-C77 HydrophobicContact CE1-CB 4Å; C77-L79 PolarHBondContact O-N 3.41Å; C77-C93 HydrophobicContact CB-CB 3.89Å; C77-C93 WeakPolarHBondContact CB-SG 3.21Å; C77-C93 WeakPolarHBondContact SG-CB 3.12Å; C77-C93 CovalentContact SG-SG 2Å; C77-C93 PolarHBondContact SG-SG 2.55Å |
| 78 | P | 90.1 | Very high | 86.8 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 117.6 | 171.4 | 25.9 | -34.5 | 0 | 0 | 0 | 110.8 | ||
| 79 | L | 90.3 | Very high | 86.5 | Confident | 56 Ų | 56 | 75 Ų | 75 | 29% | 0.293 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 132.1 | 179.1 | -76.4 | 168.8 | 0 | 0 | 0 | 111.5 | W52 Y63 L65 C77 V92 C93 | W52-L79 HydrophobicContact CH2-CD1 3.99Å; W52-L79 HydrophobicContact CH2-CD2 3.48Å; W52-L79 VanDerWaalsContact CH2-CD2 3.48Å; W52-L79 HydrophobicContact CH2-CG 4.41Å; W52-L79 HydrophobicContact CZ3-CD2 3.7Å; Y63-L79 VanDerWaalsContact O-CD1 3.24Å; Y63-L79 WeakPolarHBondContact O-CD1 3.23Å; L65-L79 HydrophobicContact CB-CD1 4.41Å; L65-L79 HydrophobicContact CB-CD2 4.11Å; L65-L79 HydrophobicContact CB-CG 4.42Å; C77-L79 PolarHBondContact O-N 3.41Å; L79-V92 CarbonylContact C-O 3.6Å; L79-V92 WeakPolarHBondContact CA-O 3.39Å; L79-C93 HydrophobicContact CD2-CB 3.88Å |
| 80 | S | 89.1 | Confident | 86.3 | Confident | 20 Ų | 20 | 75.2 Ų | 75.2 | 14% | 0.14 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 153.6 | 165 | 72.5 | 0 | 0 | 0 | 0 | 110 | A21 Y91 V92 | A21-S80 PolarHBondContact O-OG 2.8Å; A21-S80 VanDerWaalsContact O-OG 3.14Å; S80-Y91 WeakPolarHBondContact O-CA 3.18Å; S80-V92 PolarHBondContact N-O 3.43Å; S80-V92 PolarHBondContact O-N 2.89Å; S80-V92 PolarHBondContact OG-O 2.89Å |
| 81 | S | 87.6 | Confident | 86.3 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 54% | 0.538 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.5 | 176.3 | 59.5 | 0 | 0 | 0 | 0 | 110.4 | R90 | S81-R90 CarbonylContact C-O 3.57Å; S81-R90 WeakPolarHBondContact CA-O 3.46Å |
| 82 | Q | 86.8 | Confident | 86.4 | Confident | 30 Ų | 30 | 67.9 Ų | 67.9 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.3 | 179.1 | -71.3 | 163 | 53.8 | 0 | 0 | 109.8 | A21 V23 R90 | A21-Q82 PolarHBondContact O-NE2 2.83Å; V23-Q82 PolarHBondContact O-OE1 3.48Å; Q82-R90 HydrophobicContact CB-CB 4.36Å; Q82-R90 PolarHBondContact N-O 2.99Å; Q82-R90 PolarHBondContact O-N 2.66Å |
| 83 | S | 83.5 | Confident | 86.4 | Confident | 111 Ų | 111 | 65.1 Ų | 65.1 | 78% | 0.776 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 125 | 173.8 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 84 | V | 79.8 | Confident | 86.4 | Confident | 23 Ų | 23 | 60 Ų | 60 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.1 | 178.6 | -169.8 | 0 | 0 | 0 | 0 | 109 | R86 F87 G88 R90 | V84-R86 PolarHBondContact O-N 3.24Å; V84-R86 VanDerWaalsContact O-N 3.12Å; V84-F87 HydrophobicContact CB-CB 4.21Å; V84-F87 HydrophobicContact CG1-CB 3.88Å; V84-F87 HydrophobicContact CG1-CD2 4.09Å; V84-F87 HydrophobicContact CG1-CG 4.46Å; V84-F87 PolarHBondContact O-N 2.78Å; V84-F87 VanDerWaalsContact O-N 3.15Å; V84-G88 PolarHBondContact N-O 3.02Å; V84-G88 PolarHBondContact O-N 2.74Å; V84-R90 HydrophobicContact CG2-CB 3.6Å |
| 85 | P | 72.7 | Confident | 86.2 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 70% | 0.695 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 121.5 | -179.5 | -23.2 | 32.4 | 0 | 0 | 0 | 111.2 | F87 | P85-F87 VanDerWaalsContact C-N 3.27Å; P85-F87 VanDerWaalsContact O-CD2 3.27Å; P85-F87 WeakPolarHBondContact O-CD2 3.39Å; P85-F87 PolarHBondContact O-N 3.2Å |
| 86 | R | 67.9 | Low | 85.5 | Confident | 248 Ų | 248 | 56.7 Ų | 56.7 | 94% | 0.936 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | -2.7 | -179.8 | -51.5 | 177.4 | -177.6 | 148.2 | 0.4 | 117.2 | V84 | V84-R86 PolarHBondContact O-N 3.24Å; V84-R86 VanDerWaalsContact O-N 3.12Å |
| 87 | F | 69.6 | Low | 84.6 | Confident | 143 Ų | 143 | 56.6 Ų | 56.6 | 63% | 0.627 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | 13 | -177.1 | -61.1 | -78.4 | 0 | 0 | 0 | 113.7 | V84 P85 | V84-F87 HydrophobicContact CB-CB 4.21Å; V84-F87 HydrophobicContact CG1-CB 3.88Å; V84-F87 HydrophobicContact CG1-CD2 4.09Å; V84-F87 HydrophobicContact CG1-CG 4.46Å; V84-F87 PolarHBondContact O-N 2.78Å; V84-F87 VanDerWaalsContact O-N 3.15Å; P85-F87 VanDerWaalsContact C-N 3.27Å; P85-F87 VanDerWaalsContact O-CD2 3.27Å; P85-F87 WeakPolarHBondContact O-CD2 3.39Å; P85-F87 PolarHBondContact O-N 3.2Å |
| 88 | G | 84.9 | Confident | 83.5 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.8 | -130.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E54 E55 V84 | E54-G88 CarbonylContact O-C 3.51Å; E54-G88 WeakPolarHBondContact O-CA 3.24Å; E55-G88 VanDerWaalsContact O-CA 3.24Å; E55-G88 WeakPolarHBondContact O-CA 3.5Å; V84-G88 PolarHBondContact N-O 3.02Å; V84-G88 PolarHBondContact O-N 2.74Å |
| 89 | T | 88.3 | Confident | 82.5 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.4 | -175.6 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | E54 A57 Y91 | E54-T89 PolarHBondContact N-O 2.88Å; E54-T89 PolarHBondContact O-N 3.26Å; A57-T89 WeakPolarHBondContact CA-OG1 3.08Å; A57-T89 VanDerWaalsContact CB-OG1 3.24Å; A57-T89 WeakPolarHBondContact CB-OG1 3.06Å; T89-Y91 HydrophobicContact CG2-CE1 4.48Å; T89-Y91 HydrophobicContact CG2-CE2 4.18Å |
| 90 | R | 89.9 | Confident | 81.9 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 5% | 0.049 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.6 | 172.6 | 177.6 | 170 | -66.5 | 139.9 | 9.8 | 110.5 | V28 F51 W52 D53 S81 Q82 V84 V92 | V28-R90 VanDerWaalsContact CG2-NH2 3.33Å; F51-R90 HydrophobicContact CB-CG 4.17Å; F51-R90 HydrophobicContact CD2-CG 4.15Å; W52-R90 WeakPolarHBondContact O-CA 3.25Å; D53-R90 WeakPolarHBondContact OD1-CB 3.33Å; D53-R90 VanDerWaalsContact OD1-CG 3.23Å; D53-R90 WeakPolarHBondContact OD1-CG 3.44Å; D53-R90 IonicContact OD1-CZ 3.5Å; D53-R90 IonicContact OD1-NE 3.57Å; D53-R90 PolarHBondContact OD1-NE 2.05Å; D53-R90 IonicContact OD1-NH2 2.76Å; D53-R90 PolarHBondContact OD1-NH2 3.12Å; D53-R90 IonicContact OD2-CZ 2.67Å; D53-R90 IonicContact OD2-NE 3.23Å; D53-R90 IonicContact OD2-NH2 3.89Å; D53-R90 PolarHBondContact OD2-NH2 3.35Å; S81-R90 CarbonylContact C-O 3.57Å; S81-R90 WeakPolarHBondContact CA-O 3.46Å; Q82-R90 HydrophobicContact CB-CB 4.36Å; Q82-R90 PolarHBondContact N-O 2.99Å; Q82-R90 PolarHBondContact O-N 2.66Å; V84-R90 HydrophobicContact CG2-CB 3.6Å; R90-V92 HydrophobicContact CG-CG2 3.67Å |
| 91 | Y | 90.9 | Very high | 81.8 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 7% | 0.071 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 131.3 | 169.3 | -64.7 | -82.2 | 0 | 0 | 0 | 109.3 | F51 W52 E54 A58 Y63 S80 T89 | F51-Y91 WeakPolarHBondContact CA-O 3.41Å; F51-Y91 VanDerWaalsContact CB-O 3.27Å; F51-Y91 WeakPolarHBondContact CB-O 3.37Å; W52-Y91 AromaticContact CE2-CD2 3.88Å; W52-Y91 AromaticContact CE2-CG 3.99Å; W52-Y91 HydrophobicContact CH2-CG 4.31Å; W52-Y91 HydrophobicContact CZ2-CD2 4.01Å; W52-Y91 AromaticContact CZ2-CG 3.74Å; W52-Y91 HydrophobicContact CZ2-CG 3.74Å; W52-Y91 PolarHBondContact N-O 3.4Å; W52-Y91 VanDerWaalsContact N-O 3.13Å; W52-Y91 AromaticContact NE1-CD2 3.71Å; W52-Y91 PolarHBondContact O-N 3.25Å; E54-Y91 HydrophobicContact CB-CE2 4.1Å; E54-Y91 HydrophobicContact CG-CD2 4.23Å; E54-Y91 HydrophobicContact CG-CE2 3.97Å; A58-Y91 WeakPolarHBondContact CA-OH 3.37Å; A58-Y91 VanDerWaalsContact CB-OH 3.27Å; A58-Y91 WeakPolarHBondContact CB-OH 3.25Å; A58-Y91 PolarHBondContact N-OH 3.27Å; A58-Y91 PolarHBondContact O-OH 2.9Å; Y63-Y91 HydrophobicContact CD2-CD2 4.17Å; Y63-Y91 HydrophobicContact CD2-CE1 4.28Å; Y63-Y91 AromaticContact CD2-CE2 3.74Å; Y63-Y91 HydrophobicContact CD2-CE2 3.74Å; Y63-Y91 AromaticContact CD2-CZ 3.81Å; Y63-Y91 AromaticContact CE2-CE2 3.93Å; Y63-Y91 HydrophobicContact CE2-CE2 3.93Å; S80-Y91 WeakPolarHBondContact O-CA 3.18Å; T89-Y91 HydrophobicContact CG2-CE1 4.48Å; T89-Y91 HydrophobicContact CG2-CE2 4.18Å |
| 92 | V | 92.4 | Very high | 82 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.1 | -176.7 | -178 | 0 | 0 | 0 | 0 | 109.7 | A21 V23 T49 C50 F51 L79 S80 R90 | A21-V92 HydrophobicContact CB-CG1 4.04Å; V23-V92 HydrophobicContact CB-CG2 4.28Å; V23-V92 HydrophobicContact CG2-CB 4.34Å; V23-V92 HydrophobicContact CG2-CG1 3.64Å; V23-V92 HydrophobicContact CG2-CG2 3.69Å; T49-V92 HydrophobicContact CG2-CG1 3.79Å; C50-V92 WeakPolarHBondContact O-CA 3.28Å; F51-V92 HydrophobicContact CB-CB 4.46Å; F51-V92 HydrophobicContact CB-CG2 3.87Å; L79-V92 CarbonylContact C-O 3.6Å; L79-V92 WeakPolarHBondContact CA-O 3.39Å; S80-V92 PolarHBondContact N-O 3.43Å; S80-V92 PolarHBondContact O-N 2.89Å; S80-V92 PolarHBondContact OG-O 2.89Å; R90-V92 HydrophobicContact CG-CG2 3.67Å |
| 93 | C | 92.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.2 | 170 | 148.1 | 0 | 0 | 0 | 0 | 108.4 | T49 C50 L65 C77 L79 | T49-C93 CarbonylContact C-O 3.6Å; T49-C93 VanDerWaalsContact CA-O 3.32Å; T49-C93 WeakPolarHBondContact CA-O 3.24Å; C50-C93 PolarHBondContact N-O 3.03Å; C50-C93 PolarHBondContact O-N 2.94Å; L65-C93 HydrophobicContact CD2-CB 3.48Å; L65-C93 VanDerWaalsContact CD2-CB 3.48Å; L65-C93 WeakPolarHBondContact CD2-SG 3.22Å; C77-C93 HydrophobicContact CB-CB 3.89Å; C77-C93 WeakPolarHBondContact CB-SG 3.21Å; C77-C93 WeakPolarHBondContact SG-CB 3.12Å; C77-C93 CovalentContact SG-SG 2Å; C77-C93 PolarHBondContact SG-SG 2.55Å; L79-C93 HydrophobicContact CD2-CB 3.88Å |
| 94 | Q | 91 | Very high | 82.4 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.7 | 166.7 | -175.7 | 177 | 8.9 | 0 | 0 | 108.5 | A21 | A21-Q94 HydrophobicContact CB-CB 3.6Å |
| 95 | F | 89.8 | Confident | 83.1 | Confident | 15 Ų | 15 | 73.6 Ų | 73.6 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | trans | -65.1 | 131.2 | -178.7 | -84.3 | 44.8 | 0 | 0 | 0 | 109.7 | L48 Y67 A97 V101 L107 L109 | L48-F95 HydrophobicContact CB-CB 4.38Å; L48-F95 HydrophobicContact CB-CD1 4.03Å; L48-F95 HydrophobicContact CB-CD2 4.38Å; L48-F95 HydrophobicContact CB-CE1 4.48Å; L48-F95 HydrophobicContact CB-CG 4Å; L48-F95 HydrophobicContact CD2-CD1 4.17Å; L48-F95 HydrophobicContact CD2-CD2 4.43Å; L48-F95 HydrophobicContact CD2-CE1 3.78Å; L48-F95 HydrophobicContact CD2-CE2 4.04Å; L48-F95 HydrophobicContact CD2-CZ 3.72Å; L48-F95 HydrophobicContact CG-CD1 4.26Å; L48-F95 HydrophobicContact CG-CE1 4.27Å; L48-F95 WeakPolarHBondContact O-CD1 3.05Å; L48-F95 PolarHBondContact O-N 2.87Å; Y67-F95 HydrophobicContact CD1-CE2 4.4Å; Y67-F95 HydrophobicContact CD1-CZ 4.02Å; Y67-F95 HydrophobicContact CD2-CD2 4.42Å; Y67-F95 AromaticContact CD2-CE2 3.5Å; Y67-F95 HydrophobicContact CD2-CE2 3.5Å; Y67-F95 VanDerWaalsContact CD2-CE2 3.5Å; Y67-F95 AromaticContact CD2-CZ 3.78Å; Y67-F95 HydrophobicContact CD2-CZ 3.78Å; Y67-F95 HydrophobicContact CE2-CD2 4.23Å; Y67-F95 AromaticContact CE2-CE2 3.74Å; Y67-F95 HydrophobicContact CE2-CE2 3.74Å; Y67-F95 HydrophobicContact CE2-CZ 4.31Å; Y67-F95 AromaticContact CG-CE2 3.86Å; Y67-F95 HydrophobicContact CG-CE2 3.86Å; Y67-F95 AromaticContact CG-CZ 3.62Å; Y67-F95 HydrophobicContact CG-CZ 3.62Å; F95-A97 PolarHBondContact O-N 2.87Å; F95-V101 HydrophobicContact CD2-CG2 4.37Å; F95-L107 HydrophobicContact CE2-CD2 3.94Å; F95-L107 HydrophobicContact CZ-CD2 3.84Å; F95-L109 HydrophobicContact CZ-CD2 4.14Å | ||
| 96 | P | 76.3 | Confident | 84.1 | Confident | 85 Ų | 85 | 70.3 Ų | 70.3 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -75.9 | -19.7 | -165.6 | 27.5 | -34.5 | 0 | 0 | 0 | 114.6 | ||
| 97 | A | 73.3 | Confident | 85.4 | Confident | 45 Ų | 45 | 58.5 Ų | 58.5 | 37% | 0.372 | 29% | 0.29 | S | S | . | . | trans | -141.6 | 140.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F95 E99 E100 | F95-A97 PolarHBondContact O-N 2.87Å; A97-E99 VanDerWaalsContact C-N 3.26Å; A97-E99 PolarHBondContact O-N 2.96Å; A97-E100 HydrophobicContact CB-CG 4.27Å; A97-E100 PolarHBondContact O-N 3.15Å | ||
| 98 | Q | 67.7 | Low | 86.6 | Confident | 128 Ų | 128 | 54.2 Ų | 54.2 | 60% | 0.598 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -61.8 | -33.6 | 177.6 | -70.4 | 173.6 | -37.1 | 0 | 0 | 112.2 | E46 E100 V101 | E46-Q98 HydrophobicContact CB-CB 4.35Å; E46-Q98 HydrophobicContact CB-CG 4.29Å; E46-Q98 WeakPolarHBondContact O-CA 3.47Å; Q98-E100 PolarHBondContact O-N 2Å; Q98-V101 PolarHBondContact O-N 2.62Å |
| 99 | E | 67.8 | Low | 87.1 | Confident | 185 Ų | 185 | 53.2 Ų | 53.2 | 86% | 0.864 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -68.7 | -13 | 179.8 | -60.9 | -176.9 | -177.4 | 0 | 0 | 114.2 | A97 | A97-E99 VanDerWaalsContact C-N 3.26Å; A97-E99 PolarHBondContact O-N 2.96Å |
| 100 | E | 79.2 | Confident | 87.4 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 19% | 0.192 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -85.9 | -12.1 | 176.9 | -64.7 | -164.3 | 150.3 | 0 | 0 | 113.1 | Y67 Y69 R75 A97 Q98 | Y67-E100 PolarHBondContact OH-OE2 3.02Å; Y69-E100 VanDerWaalsContact CE2-O 3.23Å; Y69-E100 WeakPolarHBondContact CE2-O 3.43Å; Y69-E100 PolarHBondContact OH-O 3.2Å; R75-E100 IonicContact NH1-OE1 3.78Å; R75-E100 PolarHBondContact NH1-OE1 3.36Å; A97-E100 HydrophobicContact CB-CG 4.27Å; A97-E100 PolarHBondContact O-N 3.15Å; Q98-E100 PolarHBondContact O-N 2Å |
| 101 | V | 87.3 | Confident | 87.6 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | trans | -87.9 | 123.7 | 177.2 | 178 | 0 | 0 | 0 | 0 | 109.2 | E46 L48 F95 Q98 V127 | E46-V101 WeakPolarHBondContact O-CG2 3.27Å; L48-V101 HydrophobicContact CB-CG2 4.28Å; F95-V101 HydrophobicContact CD2-CG2 4.37Å; Q98-V101 PolarHBondContact O-N 2.62Å; V101-V127 HydrophobicContact CG1-CB 4.09Å; V101-V127 HydrophobicContact CG1-CG1 3.63Å; V101-V127 HydrophobicContact CG1-CG2 4.13Å | ||
| 102 | R | 90 | Very high | 87.7 | Confident | 93 Ų | 93 | 56 Ų | 56 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | trans | -123.7 | 115.7 | 178.5 | -57.9 | -178.3 | -175.2 | 144.5 | 0.3 | 109.2 | Y69 E72 F105 | Y69-R102 HydrophobicContact CE1-CB 3.8Å; Y69-R102 HydrophobicContact CE1-CG 4.32Å; Y69-R102 HydrophobicContact CE2-CB 4.46Å; Y69-R102 HydrophobicContact CE2-CG 4.13Å; Y69-R102 PolarHBondContact OH-N 2.93Å; E72-R102 IonicContact OE1-CZ 2.67Å; E72-R102 IonicContact OE1-NH1 3.29Å; E72-R102 PolarHBondContact OE1-NH1 3.41Å; E72-R102 IonicContact OE1-NH2 3.36Å; E72-R102 PolarHBondContact OE1-NH2 3.49Å; E72-R102 IonicContact OE2-NH1 3.65Å; R102-F105 HydrophobicContact CB-CB 4.39Å; R102-F105 HydrophobicContact CB-CD2 3.98Å | ||
| 103 | L | 89.8 | Confident | 87.6 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 148.7 | 175.7 | -59.8 | 178.5 | 0 | 0 | 0 | 111.1 | F45 F105 V127 D128 | F45-L103 HydrophobicContact CB-CD1 4.21Å; F45-L103 HydrophobicContact CB-CD2 3.97Å; F45-L103 HydrophobicContact CD1-CD2 4.24Å; F45-L103 WeakPolarHBondContact O-CD2 3.41Å; L103-F105 WeakPolarHBondContact O-CD2 3.31Å; L103-F105 PolarHBondContact O-N 3.14Å; L103-F105 VanDerWaalsContact O-N 3.17Å; L103-V127 HydrophobicContact CD2-CB 4.09Å; L103-V127 HydrophobicContact CD2-CG1 4.09Å; L103-D128 HydrophobicContact CB-CB 4.43Å; L103-D128 HydrophobicContact CD2-CB 4.07Å |
| 104 | F | 90.4 | Very high | 87.4 | Confident | 128 Ų | 128 | 59.9 Ų | 59.9 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 10.9 | 177.2 | -42.9 | -69.7 | 0 | 0 | 0 | 115.1 | D128 | F104-D128 WeakPolarHBondContact CA-OD1 3.11Å; F104-D128 HydrophobicContact CD1-CB 3.98Å; F104-D128 HydrophobicContact CE1-CB 3.81Å; F104-D128 HydrophobicContact CZ-CB 4.4Å; F104-D128 PolarHBondContact N-OD1 2.88Å |
| 105 | F | 92.9 | Very high | 87.2 | Confident | 116 Ų | 116 | 63.3 Ų | 63.3 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -112.3 | 139 | 172.5 | -71.4 | -86.1 | 0 | 0 | 0 | 110.9 | Y69 R102 L103 L107 | Y69-F105 HydrophobicContact CD1-CB 3.93Å; Y69-F105 HydrophobicContact CE1-CB 4.04Å; R102-F105 HydrophobicContact CB-CB 4.39Å; R102-F105 HydrophobicContact CB-CD2 3.98Å; L103-F105 WeakPolarHBondContact O-CD2 3.31Å; L103-F105 PolarHBondContact O-N 3.14Å; L103-F105 VanDerWaalsContact O-N 3.17Å; F105-L107 PolarHBondContact O-N 3.44Å |
| 106 | P | 95.4 | Very high | 87 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 24% | 0.24 | 34% | 0.335 | C | S | . | . | trans | -70.4 | 115.7 | 177.9 | 27.5 | -32.1 | 0 | 0 | 0 | 110.2 | P70 V124 F126 | P70-P106 VanDerWaalsContact CD-O 3.31Å; P70-P106 WeakPolarHBondContact CD-O 3.41Å; P70-P106 HydrophobicContact CG-CG 3.84Å; P106-V124 HydrophobicContact CB-CG1 3.78Å; P106-F126 HydrophobicContact CB-CE1 3.88Å; P106-F126 HydrophobicContact CB-CE2 4.38Å; P106-F126 HydrophobicContact CB-CZ 3.74Å; P106-F126 HydrophobicContact CG-CE1 4.38Å; P106-F126 HydrophobicContact CG-CZ 4.46Å | ||
| 107 | L | 94.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.4 | 173.1 | 179.5 | 65.2 | 0 | 0 | 0 | 109.3 | L48 Y67 Y69 F95 F105 L109 V124 L125 V127 | L48-L107 HydrophobicContact CD2-CD2 3.41Å; L48-L107 VanDerWaalsContact CD2-CD2 3.41Å; Y67-L107 HydrophobicContact CD2-CD1 4.36Å; Y69-L107 HydrophobicContact CD1-CD1 4.33Å; Y69-L107 HydrophobicContact CD2-CD1 4.33Å; Y69-L107 HydrophobicContact CE1-CB 4.09Å; Y69-L107 HydrophobicContact CE1-CD1 3.99Å; Y69-L107 HydrophobicContact CE2-CD1 3.99Å; Y69-L107 HydrophobicContact CG-CD1 4.49Å; F95-L107 HydrophobicContact CE2-CD2 3.94Å; F95-L107 HydrophobicContact CZ-CD2 3.84Å; F105-L107 PolarHBondContact O-N 3.44Å; L107-L109 HydrophobicContact CD2-CD2 4.07Å; L107-L109 HydrophobicContact CD2-CG 4.39Å; L107-L109 HydrophobicContact CG-CD2 4.23Å; L107-L109 HydrophobicContact CG-CG 4.29Å; L107-V124 WeakPolarHBondContact O-CA 3.37Å; L107-L125 WeakPolarHBondContact CB-O 3.48Å; L107-L125 PolarHBondContact N-O 2.93Å; L107-L125 PolarHBondContact O-N 2.75Å; L107-V127 HydrophobicContact CD2-CG2 4.39Å |
| 108 | H | 95.2 | Very high | 88.2 | Confident | 53 Ų | 53 | 73.2 Ų | 73.2 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.4 | 174.5 | -66.3 | -103.9 | 0 | 0 | 0 | 110.1 | Y67 A68 W110 | Y67-H108 VanDerWaalsContact CA-O 3.24Å; Y67-H108 WeakPolarHBondContact CA-O 3.44Å; A68-H108 PolarHBondContact N-O 2.79Å; A68-H108 PolarHBondContact O-N 3.19Å; H108-W110 HydrophobicContact CB-CE3 4.47Å; H108-W110 HydrophobicContact CB-CH2 3.19Å; H108-W110 HydrophobicContact CB-CZ2 3.44Å; H108-W110 VanDerWaalsContact CB-CZ2 3.44Å; H108-W110 HydrophobicContact CB-CZ3 3.76Å; H108-W110 WeakPolarHBondContact O-CZ3 3.46Å |
| 109 | L | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.1 | -178.4 | -64.1 | 166.8 | 0 | 0 | 0 | 110 | L38 L66 F95 L107 Q122 R123 L125 | L38-L109 HydrophobicContact CD2-CB 3.88Å; L38-L109 HydrophobicContact CD2-CD1 4.04Å; L66-L109 WeakPolarHBondContact O-CA 3.16Å; F95-L109 HydrophobicContact CZ-CD2 4.14Å; L107-L109 HydrophobicContact CD2-CD2 4.07Å; L107-L109 HydrophobicContact CD2-CG 4.39Å; L107-L109 HydrophobicContact CG-CD2 4.23Å; L107-L109 HydrophobicContact CG-CG 4.29Å; L109-Q122 WeakPolarHBondContact O-CA 3.2Å; L109-R123 PolarHBondContact N-O 2.87Å; L109-R123 PolarHBondContact O-N 2.9Å; L109-L125 HydrophobicContact CD1-CB 4.03Å; L109-L125 HydrophobicContact CD1-CD2 3.97Å |
| 110 | W | 94.4 | Very high | 90.3 | Very high | 52 Ų | 52 | 65.4 Ų | 65.4 | 20% | 0.197 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 124.1 | 177.3 | -55.2 | -87.9 | 0 | 0 | 0 | 111.2 | L65 L66 A68 H108 T119 I121 | L65-W110 CarbonylContact C-O 3.53Å; L65-W110 WeakPolarHBondContact CA-O 3.4Å; L66-W110 HydrophobicContact CB-CB 4.4Å; L66-W110 HydrophobicContact CB-CE3 4.18Å; L66-W110 PolarHBondContact N-O 3.37Å; L66-W110 PolarHBondContact O-N 2.99Å; A68-W110 HydrophobicContact CB-CH2 4.05Å; A68-W110 HydrophobicContact CB-CZ3 3.87Å; H108-W110 HydrophobicContact CB-CE3 4.47Å; H108-W110 HydrophobicContact CB-CH2 3.19Å; H108-W110 HydrophobicContact CB-CZ2 3.44Å; H108-W110 VanDerWaalsContact CB-CZ2 3.44Å; H108-W110 HydrophobicContact CB-CZ3 3.76Å; H108-W110 WeakPolarHBondContact O-CZ3 3.46Å; W110-T119 HydrophobicContact CB-CG2 4.07Å; W110-T119 HydrophobicContact CG-CG2 4.41Å; W110-I121 CarbonylContact C-O 3.55Å; W110-I121 WeakPolarHBondContact CA-O 3.3Å |
| 111 | V | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 114.9 | 166.4 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | L38 W52 Y63 L65 Q120 I121 | L38-V111 HydrophobicContact CD1-CG2 4.12Å; L38-V111 HydrophobicContact CD2-CG2 4.33Å; W52-V111 HydrophobicContact CD2-CG2 4.34Å; W52-V111 HydrophobicContact CE3-CG2 4.18Å; W52-V111 HydrophobicContact CH2-CG1 4.13Å; W52-V111 HydrophobicContact CH2-CG2 4.32Å; W52-V111 HydrophobicContact CZ2-CG1 3.7Å; W52-V111 HydrophobicContact CZ2-CG2 4.48Å; W52-V111 HydrophobicContact CZ3-CG2 4.17Å; Y63-V111 HydrophobicContact CD1-CG1 4.28Å; L65-V111 HydrophobicContact CD1-CG2 3.56Å; V111-Q120 PolarHBondContact O-N 2.73Å; V111-I121 HydrophobicContact CB-CB 3.94Å; V111-I121 HydrophobicContact CB-CD1 4.38Å; V111-I121 HydrophobicContact CB-CG1 4.33Å; V111-I121 HydrophobicContact CG2-CB 3.99Å; V111-I121 HydrophobicContact CG2-CD1 4.15Å; V111-I121 HydrophobicContact CG2-CG1 4.47Å; V111-I121 PolarHBondContact N-O 3.2Å; V111-I121 PolarHBondContact O-N 2.87Å |
| 112 | K | 92.6 | Very high | 91.2 | Very high | 54 Ų | 54 | 70 Ų | 70 | 24% | 0.235 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.3 | -178.6 | -168 | 174.3 | -179.6 | -178.8 | 0 | 110.4 | Y63 Q64 L66 V114 N117 | Y63-K112 WeakPolarHBondContact CA-O 3.31Å; Q64-K112 PolarHBondContact N-O 2.93Å; Q64-K112 PolarHBondContact O-N 3.26Å; L66-K112 HydrophobicContact CD1-CD 4.2Å; K112-V114 PolarHBondContact O-N 3.1Å; K112-N117 WeakPolarHBondContact CE-OD1 3.48Å; K112-N117 PolarHBondContact NZ-OD1 2.81Å |
| 113 | N | 90.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 66.9 Ų | 66.9 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 114.9 | 165 | -173.2 | -52.8 | 0 | 0 | 0 | 108.3 | T62 Y63 F115 L116 N117 Q118 | T62-N113 CarbonylContact O-C 3.45Å; T62-N113 WeakPolarHBondContact O-CA 3.32Å; Y63-N113 HydrophobicContact CD1-CB 4.35Å; Y63-N113 HydrophobicContact CE1-CB 4.2Å; N113-F115 PolarHBondContact OD1-N 3.17Å; N113-F115 VanDerWaalsContact OD1-N 3.1Å; N113-L116 HydrophobicContact CB-CB 4.32Å; N113-L116 PolarHBondContact OD1-N 2.69Å; N113-N117 WeakPolarHBondContact O-CA 3.38Å; N113-N117 PolarHBondContact O-N 2.98Å; N113-Q118 PolarHBondContact N-O 2.95Å; N113-Q118 PolarHBondContact O-N 3.08Å |
| 114 | V | 88.6 | Confident | 91.6 | Very high | 70 Ų | 70 | 67.7 Ų | 67.7 | 42% | 0.424 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -36.2 | -173.2 | -176 | 0 | 0 | 0 | 0 | 111.1 | T62 Q64 K112 | T62-V114 PolarHBondContact O-N 2.79Å; Q64-V114 HydrophobicContact CB-CG2 3.69Å; K112-V114 PolarHBondContact O-N 3.1Å |
| 115 | F | 85.2 | Confident | 91.7 | Very high | 145 Ų | 145 | 61.8 Ų | 61.8 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -42.3 | -179.2 | -65.2 | -73 | 0 | 0 | 0 | 112.5 | T62 N113 N117 | T62-F115 VanDerWaalsContact CA-CE2 3.48Å; T62-F115 HydrophobicContact CG2-CD2 4.02Å; T62-F115 HydrophobicContact CG2-CE2 4.37Å; T62-F115 WeakPolarHBondContact OG1-CE2 2.99Å; N113-F115 PolarHBondContact OD1-N 3.17Å; N113-F115 VanDerWaalsContact OD1-N 3.1Å; F115-N117 VanDerWaalsContact C-N 3.33Å |
| 116 | L | 85.7 | Confident | 91.8 | Very high | 118 Ų | 118 | 60.3 Ų | 60.3 | 62% | 0.618 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -7.5 | 179.4 | -62.4 | 176.2 | 0 | 0 | 0 | 113 | N113 Q118 | N113-L116 HydrophobicContact CB-CB 4.32Å; N113-L116 PolarHBondContact OD1-N 2.69Å; L116-Q118 HydrophobicContact CB-CB 4.19Å; L116-Q118 PolarHBondContact O-N 2.84Å; L116-Q118 VanDerWaalsContact O-N 3.11Å |
| 117 | N | 85.8 | Confident | 91.6 | Very high | 116 Ų | 116 | 58.6 Ų | 58.6 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 29.8 | -173.8 | -162.9 | 22.8 | 0 | 0 | 0 | 113.1 | K112 N113 F115 | K112-N117 WeakPolarHBondContact CE-OD1 3.48Å; K112-N117 PolarHBondContact NZ-OD1 2.81Å; N113-N117 WeakPolarHBondContact O-CA 3.38Å; N113-N117 PolarHBondContact O-N 2.98Å; F115-N117 VanDerWaalsContact C-N 3.33Å |
| 118 | Q | 89.6 | Confident | 91.5 | Very high | 119 Ų | 119 | 59.8 Ų | 59.8 | 56% | 0.556 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.1 | -173.4 | -173.7 | 176.3 | -1.8 | 0 | 0 | 110.4 | N113 L116 | N113-Q118 PolarHBondContact N-O 2.95Å; N113-Q118 PolarHBondContact O-N 3.08Å; L116-Q118 HydrophobicContact CB-CB 4.19Å; L116-Q118 PolarHBondContact O-N 2.84Å; L116-Q118 VanDerWaalsContact O-N 3.11Å |
| 119 | T | 91.6 | Very high | 91.3 | Very high | 67 Ų | 67 | 60 Ų | 60 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 118.2 | 171.3 | -50 | 0 | 0 | 0 | 0 | 109 | W110 | W110-T119 HydrophobicContact CB-CG2 4.07Å; W110-T119 HydrophobicContact CG-CG2 4.41Å |
| 120 | Q | 88.9 | Confident | 91.2 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -44.5 | 179.6 | -73.3 | -172.5 | -12.3 | 0 | 0 | 112 | V111 | V111-Q120 PolarHBondContact O-N 2.73Å |
| 121 | I | 91.9 | Very high | 91.1 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.4 | -178.7 | -53.8 | 170.9 | 0 | 0 | 0 | 108.5 | P37 L38 W110 V111 | P37-I121 HydrophobicContact CB-CD1 4.23Å; P37-I121 HydrophobicContact CG-CG2 3.84Å; L38-I121 HydrophobicContact CB-CG2 3.88Å; W110-I121 CarbonylContact C-O 3.55Å; W110-I121 WeakPolarHBondContact CA-O 3.3Å; V111-I121 HydrophobicContact CB-CB 3.94Å; V111-I121 HydrophobicContact CB-CD1 4.38Å; V111-I121 HydrophobicContact CB-CG1 4.33Å; V111-I121 HydrophobicContact CG2-CB 3.99Å; V111-I121 HydrophobicContact CG2-CD1 4.15Å; V111-I121 HydrophobicContact CG2-CG1 4.47Å; V111-I121 PolarHBondContact N-O 3.2Å; V111-I121 PolarHBondContact O-N 2.87Å |
| 122 | Q | 92.9 | Very high | 91 | Very high | 131 Ų | 131 | 58.7 Ų | 58.7 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 123.5 | 171.3 | 177.2 | 172.2 | -13.6 | 0 | 0 | 108.5 | L109 | L109-Q122 WeakPolarHBondContact O-CA 3.2Å |
| 123 | R | 93.4 | Very high | 90.9 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141.9 | 179.3 | -173 | 173.7 | 177.3 | 173.3 | 5.2 | 109.6 | D34 E36 L38 L109 | D34-R123 IonicContact OD2-CZ 3.66Å; D34-R123 IonicContact OD2-NH1 3.68Å; D34-R123 PolarHBondContact OD2-NH1 3.09Å; D34-R123 IonicContact OD2-NH2 3.23Å; D34-R123 PolarHBondContact OD2-NH2 3.3Å; E36-R123 VanDerWaalsContact CB-CZ 3.48Å; E36-R123 VanDerWaalsContact CG-CZ 3.5Å; E36-R123 IonicContact OE2-NE 2.65Å; L38-R123 WeakPolarHBondContact O-CD 3.24Å; L38-R123 PolarHBondContact O-NH1 3.37Å; L109-R123 PolarHBondContact N-O 2.87Å; L109-R123 PolarHBondContact O-N 2.9Å |
| 124 | V | 94.1 | Very high | 90.8 | Very high | 70 Ų | 70 | 57 Ų | 57 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.4 | 166.6 | -176.3 | 0 | 0 | 0 | 0 | 107.3 | P106 L107 | P106-V124 HydrophobicContact CB-CG1 3.78Å; L107-V124 WeakPolarHBondContact O-CA 3.37Å |
| 125 | L | 93.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.5 | -170.7 | -173.9 | 77.4 | 0 | 0 | 0 | 110.1 | C40 L48 L107 L109 V130 | C40-L125 HydrophobicContact CB-CD1 4.31Å; C40-L125 HydrophobicContact CB-CD2 3.68Å; L48-L125 HydrophobicContact CD1-CD2 3.84Å; L48-L125 HydrophobicContact CD2-CD2 3.97Å; L107-L125 WeakPolarHBondContact CB-O 3.48Å; L107-L125 PolarHBondContact N-O 2.93Å; L107-L125 PolarHBondContact O-N 2.75Å; L109-L125 HydrophobicContact CD1-CB 4.03Å; L109-L125 HydrophobicContact CD1-CD2 3.97Å; L125-V130 HydrophobicContact CD1-CB 4.41Å; L125-V130 HydrophobicContact CD1-CG1 3.47Å; L125-V130 VanDerWaalsContact CD1-CG1 3.47Å; L125-V130 HydrophobicContact CD1-CG2 4.15Å; L125-V130 HydrophobicContact CD2-CG2 4.13Å; L125-V130 HydrophobicContact CG-CG1 4.43Å; L125-V130 HydrophobicContact CG-CG2 4.29Å |
| 126 | F | 93.5 | Very high | 91 | Very high | 85 Ų | 85 | 49 Ų | 49 | 37% | 0.373 | 26% | 0.262 | S | S | . | . | trans | -108.3 | 120.9 | 165.5 | -67.9 | -92 | 0 | 0 | 0 | 107.8 | P106 D128 S129 | P106-F126 HydrophobicContact CB-CE1 3.88Å; P106-F126 HydrophobicContact CB-CE2 4.38Å; P106-F126 HydrophobicContact CB-CZ 3.74Å; P106-F126 HydrophobicContact CG-CE1 4.38Å; P106-F126 HydrophobicContact CG-CZ 4.46Å; F126-D128 PolarHBondContact O-N 3.28Å; F126-S129 PolarHBondContact O-N 2.78Å; F126-S129 PolarHBondContact O-OG 2.88Å | ||
| 127 | V | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -65.5 | -33.4 | -173.9 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | L48 V101 L103 L107 S129 V130 | L48-V127 HydrophobicContact CD1-CG1 4.39Å; L48-V127 HydrophobicContact CD1-CG2 4.34Å; L48-V127 HydrophobicContact CD2-CG2 4.07Å; V101-V127 HydrophobicContact CG1-CB 4.09Å; V101-V127 HydrophobicContact CG1-CG1 3.63Å; V101-V127 HydrophobicContact CG1-CG2 4.13Å; L103-V127 HydrophobicContact CD2-CB 4.09Å; L103-V127 HydrophobicContact CD2-CG1 4.09Å; L107-V127 HydrophobicContact CD2-CG2 4.39Å; V127-S129 PolarHBondContact O-N 2.62Å; V127-S129 VanDerWaalsContact O-N 3.12Å; V127-V130 PolarHBondContact O-N 3.41Å |
| 128 | D | 92.2 | Very high | 90.7 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -61.1 | -13.3 | 171.7 | 52.2 | -71.4 | 0 | 0 | 0 | 114.2 | L103 F104 F126 L265 G266 | L103-D128 HydrophobicContact CB-CB 4.43Å; L103-D128 HydrophobicContact CD2-CB 4.07Å; F104-D128 WeakPolarHBondContact CA-OD1 3.11Å; F104-D128 HydrophobicContact CD1-CB 3.98Å; F104-D128 HydrophobicContact CE1-CB 3.81Å; F104-D128 HydrophobicContact CZ-CB 4.4Å; F104-D128 PolarHBondContact N-OD1 2.88Å; F126-D128 PolarHBondContact O-N 3.28Å; D128-L265 HydrophobicContact CB-CD2 4.21Å; D128-G266 WeakPolarHBondContact O-CA 3.27Å; D128-G266 PolarHBondContact O-N 3.34Å |
| 129 | S | 92 | Very high | 90.4 | Very high | 58 Ų | 58 | 40.8 Ų | 40.8 | 41% | 0.406 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -102.5 | -7.3 | 180 | 71.1 | 0 | 0 | 0 | 0 | 114.7 | F126 V127 G266 | F126-S129 PolarHBondContact O-N 2.78Å; F126-S129 PolarHBondContact O-OG 2.88Å; V127-S129 PolarHBondContact O-N 2.62Å; V127-S129 VanDerWaalsContact O-N 3.12Å; S129-G266 CarbonylContact C-O 3.57Å; S129-G266 VanDerWaalsContact C-O 3.3Å; S129-G266 CarbonylContact O-C 3.51Å |
| 130 | V | 92.2 | Very high | 90.2 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 12% | 0.115 | 23% | 0.225 | C | C | . | . | trans | -118.4 | 37.7 | -173.9 | -66.5 | 0 | 0 | 0 | 0 | 113.3 | F41 S42 L48 L125 V127 L132 | F41-V130 CarbonylContact C-O 3.49Å; F41-V130 VanDerWaalsContact CA-O 3.31Å; F41-V130 WeakPolarHBondContact CA-O 3.39Å; S42-V130 PolarHBondContact N-O 3.39Å; L48-V130 HydrophobicContact CD1-CG2 4.2Å; L125-V130 HydrophobicContact CD1-CB 4.41Å; L125-V130 HydrophobicContact CD1-CG1 3.47Å; L125-V130 VanDerWaalsContact CD1-CG1 3.47Å; L125-V130 HydrophobicContact CD1-CG2 4.15Å; L125-V130 HydrophobicContact CD2-CG2 4.13Å; L125-V130 HydrophobicContact CG-CG1 4.43Å; L125-V130 HydrophobicContact CG-CG2 4.29Å; V127-V130 PolarHBondContact O-N 3.41Å; V130-L132 PolarHBondContact O-N 2.65Å | ||
| 131 | G | 91.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -61.2 | 131 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S42 G266 G267 S268 | S42-G131 CarbonylContact O-C 3.58Å; G131-G266 PolarHBondContact N-O 2.83Å; G131-G267 CarbonylContact O-C 3.51Å; G131-G267 WeakPolarHBondContact O-CA 3.36Å; G131-S268 PolarHBondContact O-N 2.97Å |
| 132 | L | 92.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -136 | 75.5 | 166.9 | -171.5 | 71.7 | 0 | 0 | 0 | 107.5 | D27 L30 L31 F41 S42 V130 S268 | D27-L132 HydrophobicContact CB-CD2 4.29Å; L30-L132 HydrophobicContact CB-CD1 4.14Å; L30-L132 HydrophobicContact CD1-CD1 4.1Å; L31-L132 HydrophobicContact CD1-CD2 4.32Å; L31-L132 HydrophobicContact CG-CD2 4.38Å; F41-L132 HydrophobicContact CB-CB 3.77Å; F41-L132 HydrophobicContact CB-CD2 4.1Å; F41-L132 HydrophobicContact CD1-CD2 4.45Å; F41-L132 HydrophobicContact CD2-CB 4.13Å; F41-L132 HydrophobicContact CD2-CD2 3.94Å; F41-L132 HydrophobicContact CG-CB 4.24Å; F41-L132 HydrophobicContact CG-CD2 3.91Å; S42-L132 CarbonylContact O-C 3.45Å; S42-L132 PolarHBondContact O-N 2.67Å; V130-L132 PolarHBondContact O-N 2.65Å; L132-S268 WeakPolarHBondContact CD1-OG 3.35Å | ||
| 133 | P | 90.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 145.6 | -175.1 | -23.2 | 34.1 | 0 | 0 | 0 | 111.7 | P157 L165 P260 G270 | P133-P157 HydrophobicContact CB-CG 4.45Å; P133-L165 HydrophobicContact CB-CD2 4.21Å; P133-L165 HydrophobicContact CG-CD2 3.73Å; P133-P260 HydrophobicContact CG-CG 3.98Å; P133-G270 VanDerWaalsContact O-CA 3.31Å; P133-G270 WeakPolarHBondContact O-CA 3.43Å |
| 134 | A | 89.1 | Confident | 88.6 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 23% | 0.231 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 155.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P157 S258 | A134-P157 HydrophobicContact CB-CB 3.91Å; A134-P157 WeakPolarHBondContact O-CB 3.23Å; A134-P157 WeakPolarHBondContact O-CG 3.39Å; A134-S258 PolarHBondContact O-OG 2.9Å; A134-S258 VanDerWaalsContact O-OG 3.08Å |
| 135 | P | 89.3 | Confident | 87.9 | Confident | 42 Ų | 42 | 31.7 Ų | 31.7 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -61.5 | 148 | 175.8 | 21.3 | -29.6 | 0 | 0 | 0 | 110.9 | S271 | P135-S271 WeakPolarHBondContact CB-O 3.47Å; P135-S271 WeakPolarHBondContact CD-OG 3.19Å |
| 136 | P | 88.1 | Confident | 87.4 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 5% | 0.045 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 147.6 | 172.8 | -24.6 | 34.9 | 0 | 0 | 0 | 112.2 | W154 Y167 L256 | P136-W154 HydrophobicContact CB-CB 4.21Å; P136-W154 HydrophobicContact CB-CG 4.23Å; P136-Y167 HydrophobicContact CG-CD1 3.72Å; P136-Y167 HydrophobicContact CG-CE1 3.76Å; P136-L256 HydrophobicContact CB-CB 4.49Å; P136-L256 HydrophobicContact CG-CB 4.05Å |
| 137 | S | 83.8 | Confident | 87.1 | Confident | 53 Ų | 53 | 32.9 Ų | 32.9 | 37% | 0.371 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 167.1 | -177.3 | 75.3 | 0 | 0 | 0 | 0 | 111.7 | I139 E155 | S137-I139 VanDerWaalsContact C-N 3.29Å; S137-I139 PolarHBondContact O-N 2.86Å; S137-E155 PolarHBondContact N-O 3.23Å; S137-E155 VanDerWaalsContact N-O 3.09Å; S137-E155 PolarHBondContact O-N 3.19Å |
| 138 | I | 81.2 | Confident | 86.8 | Confident | 103 Ų | 103 | 33.1 Ų | 33.1 | 53% | 0.528 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.6 | 46.8 | 178.4 | -41.5 | -170 | 0 | 0 | 0 | 112.1 | K140 E155 | I138-K140 PolarHBondContact O-N 3.42Å; I138-K140 VanDerWaalsContact O-N 3.11Å; I138-E155 HydrophobicContact CB-CB 4.47Å; I138-E155 WeakPolarHBondContact CD1-OE2 3.06Å |
| 139 | I | 83.9 | Confident | 86.5 | Confident | 24 Ų | 24 | 32.7 Ų | 32.7 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 110.1 | 177.7 | -59.2 | 165.8 | 0 | 0 | 0 | 108.4 | S137 S153 W154 L254 L256 S273 V276 | S137-I139 VanDerWaalsContact C-N 3.29Å; S137-I139 PolarHBondContact O-N 2.86Å; I139-S153 CarbonylContact C-O 3.3Å; I139-S153 WeakPolarHBondContact CA-O 3.45Å; I139-W154 HydrophobicContact CG1-CB 4.08Å; I139-L254 HydrophobicContact CG2-CD1 3.63Å; I139-L256 HydrophobicContact CD1-CB 4.16Å; I139-L256 HydrophobicContact CD1-CD1 4.19Å; I139-L256 HydrophobicContact CG2-CD1 4.18Å; I139-S273 WeakPolarHBondContact CD1-OG 2.98Å; I139-V276 HydrophobicContact CB-CG2 4Å; I139-V276 HydrophobicContact CG2-CG2 4.04Å |
| 140 | K | 86.6 | Confident | 86.3 | Confident | 94 Ų | 94 | 29.9 Ų | 29.9 | 41% | 0.409 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.2 | 172.1 | -65.6 | 176 | -176.9 | 169.8 | 0 | 108.6 | I138 I152 S153 | I138-K140 PolarHBondContact O-N 3.42Å; I138-K140 VanDerWaalsContact O-N 3.11Å; K140-I152 CarbonylContact O-C 3.57Å; K140-I152 VanDerWaalsContact O-CA 3.27Å; K140-I152 WeakPolarHBondContact O-CA 3.39Å; K140-S153 PolarHBondContact N-O 3.27Å; K140-S153 PolarHBondContact O-N 2.82Å |
| 141 | A | 86.6 | Confident | 85.9 | Confident | 16 Ų | 16 | 29.6 Ų | 29.6 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | L150 I152 L254 V276 V278 | A141-L150 HydrophobicContact CB-CD1 4.25Å; A141-I152 HydrophobicContact CB-CG2 4.28Å; A141-L254 HydrophobicContact CB-CD2 3.68Å; A141-V276 HydrophobicContact CB-CG1 4Å; A141-V278 HydrophobicContact CB-CB 4.03Å; A141-V278 HydrophobicContact CB-CG1 4.47Å; A141-V278 HydrophobicContact CB-CG2 4.39Å |
| 142 | M | 84.8 | Confident | 85.7 | Confident | 26 Ų | 26 | 29.6 Ų | 29.6 | 13% | 0.128 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 155.2 | -177 | 57.9 | -173.2 | -71.1 | 0 | 0 | 110.9 | G144 L150 Q151 Y328 | M142-G144 PolarHBondContact O-N 3.21Å; M142-L150 WeakPolarHBondContact O-CD1 3.43Å; M142-Q151 HydrophobicContact CG-CB 4.06Å; M142-Q151 PolarHBondContact N-O 3.46Å; M142-Q151 PolarHBondContact O-N 3.29Å; M142-Y328 HydrophobicContact CB-CE1 4.06Å; M142-Y328 HydrophobicContact CE-CD1 3.81Å; M142-Y328 HydrophobicContact CE-CE1 4.05Å; M142-Y328 HydrophobicContact CE-CG 4.4Å; M142-Y328 HydrophobicContact SD-CE1 4.33Å |
| 143 | G | 82.4 | Confident | 85.4 | Confident | 27 Ų | 27 | 30 Ų | 30 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 138.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 144 | G | 79.9 | Confident | 85.2 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 13% | 0.134 | 18% | 0.181 | C | C | . | . | trans | -75.7 | -162.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M142 E149 | M142-G144 PolarHBondContact O-N 3.21Å; G144-E149 PolarHBondContact N-O 2.74Å | ||
| 145 | S | 79.1 | Confident | 85.1 | Confident | 34 Ų | 34 | 31.9 Ų | 31.9 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -84.6 | -20.2 | -173.8 | 73.8 | 0 | 0 | 0 | 0 | 113.3 | E149 H363 | S145-E149 PolarHBondContact N-OE2 3.25Å; S145-E149 PolarHBondContact OG-OE2 3.33Å; S145-H363 PolarHBondContact O-ND1 3.27Å |
| 146 | Q | 84.1 | Confident | 84.9 | Confident | 89 Ų | 89 | 30.1 Ų | 30.1 | 42% | 0.416 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -121.7 | 157.2 | 177.3 | -46.7 | -174.1 | 22 | 0 | 0 | 111.2 | G148 E149 P382 | Q146-G148 PolarHBondContact O-N 3.01Å; Q146-E149 VanDerWaalsContact CB-CD 3.47Å; Q146-E149 HydrophobicContact CB-CG 3.89Å; Q146-E149 HydrophobicContact CG-CG 4.47Å; Q146-E149 WeakPolarHBondContact CG-OE1 3.09Å; Q146-E149 PolarHBondContact N-OE2 2.89Å; Q146-E149 WeakPolarHBondContact O-CB 3.14Å; Q146-E149 PolarHBondContact O-N 3.06Å; Q146-E149 VanDerWaalsContact O-N 3.09Å; Q146-P382 HydrophobicContact CG-CG 3.78Å |
| 147 | P | 86.7 | Confident | 84.6 | Confident | 26 Ų | 26 | 31.4 Ų | 31.4 | 17% | 0.169 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 131.8 | 173.5 | -24.9 | 36 | 0 | 0 | 0 | 111.5 | E149 P248 D283 L379 | P147-E149 VanDerWaalsContact C-N 3.26Å; P147-E149 PolarHBondContact O-N 3.14Å; P147-P248 HydrophobicContact CB-CB 4.22Å; P147-P248 HydrophobicContact CB-CG 3.88Å; P147-D283 HydrophobicContact CB-CB 4.22Å; P147-L379 HydrophobicContact CG-CB 4.47Å; P147-L379 VanDerWaalsContact CG-O 3.29Å; P147-L379 WeakPolarHBondContact CG-O 3.13Å |
| 148 | G | 85.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 29 Ų | 29 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 7.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q146 G245 L246 | Q146-G148 PolarHBondContact O-N 3.01Å; G148-G245 PolarHBondContact O-N 3.39Å; G148-L246 WeakPolarHBondContact CA-O 3.08Å; G148-L246 WeakPolarHBondContact O-CB 3.26Å; G148-L246 PolarHBondContact O-N 2.83Å |
| 149 | E | 87.1 | Confident | 84.5 | Confident | 16 Ų | 16 | 26.3 Ų | 26.3 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | trans | -90.7 | 143.3 | 165.9 | -67.4 | -178.4 | 164.5 | 0 | 0 | 111.3 | G144 S145 Q146 P147 L242 I243 | G144-E149 PolarHBondContact N-O 2.74Å; S145-E149 PolarHBondContact N-OE2 3.25Å; S145-E149 PolarHBondContact OG-OE2 3.33Å; Q146-E149 VanDerWaalsContact CB-CD 3.47Å; Q146-E149 HydrophobicContact CB-CG 3.89Å; Q146-E149 HydrophobicContact CG-CG 4.47Å; Q146-E149 WeakPolarHBondContact CG-OE1 3.09Å; Q146-E149 PolarHBondContact N-OE2 2.89Å; Q146-E149 WeakPolarHBondContact O-CB 3.14Å; Q146-E149 PolarHBondContact O-N 3.06Å; Q146-E149 VanDerWaalsContact O-N 3.09Å; P147-E149 VanDerWaalsContact C-N 3.26Å; P147-E149 PolarHBondContact O-N 3.14Å; E149-L242 HydrophobicContact CB-CD1 4.16Å; E149-I243 CarbonylContact C-O 3.44Å; E149-I243 VanDerWaalsContact CA-O 3.28Å; E149-I243 WeakPolarHBondContact CA-O 3.34Å | ||
| 150 | L | 86.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120.7 | 174.7 | 168.1 | 60.3 | 0 | 0 | 0 | 108.7 | A141 M142 I152 I243 L246 L254 V278 L280 | A141-L150 HydrophobicContact CB-CD1 4.25Å; M142-L150 WeakPolarHBondContact O-CD1 3.43Å; L150-I152 HydrophobicContact CD1-CG2 4.27Å; L150-I152 HydrophobicContact CD2-CG2 4.38Å; L150-I152 HydrophobicContact CG-CG2 4.08Å; L150-I243 HydrophobicContact CB-CB 4.34Å; L150-I243 HydrophobicContact CD2-CD1 3.98Å; L150-I243 HydrophobicContact CG-CD1 4.24Å; L150-I243 PolarHBondContact N-O 2.77Å; L150-I243 PolarHBondContact O-N 3.29Å; L150-L246 HydrophobicContact CB-CD1 3.55Å; L150-L246 HydrophobicContact CD2-CD1 3.88Å; L150-L246 HydrophobicContact CG-CD1 4.38Å; L150-L254 HydrophobicContact CD2-CD2 3.9Å; L150-V278 HydrophobicContact CD1-CB 4.32Å; L150-V278 HydrophobicContact CD1-CG1 3.72Å; L150-V278 HydrophobicContact CD1-CG2 4.02Å; L150-V278 HydrophobicContact CD2-CG1 4.18Å; L150-L280 HydrophobicContact CB-CD2 4.32Å; L150-L280 HydrophobicContact CD1-CD2 4.37Å |
| 151 | Q | 85.7 | Confident | 84.1 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.1 | 172.5 | -174.8 | 175 | -0.6 | 0 | 0 | 109.7 | M142 C241 L242 P324 | M142-Q151 HydrophobicContact CG-CB 4.06Å; M142-Q151 PolarHBondContact N-O 3.46Å; M142-Q151 PolarHBondContact O-N 3.29Å; Q151-C241 WeakPolarHBondContact CA-O 3.47Å; Q151-L242 HydrophobicContact CB-CD1 4.18Å; Q151-P324 PolarHBondContact NE2-O 2.89Å; Q151-P324 VanDerWaalsContact NE2-O 3.15Å |
| 152 | I | 85.7 | Confident | 83.9 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 142.4 | 175.2 | 56.8 | 165.3 | 0 | 0 | 0 | 110.8 | K140 A141 L150 W154 L169 I188 S240 C241 I243 L254 L256 | K140-I152 CarbonylContact O-C 3.57Å; K140-I152 VanDerWaalsContact O-CA 3.27Å; K140-I152 WeakPolarHBondContact O-CA 3.39Å; A141-I152 HydrophobicContact CB-CG2 4.28Å; L150-I152 HydrophobicContact CD1-CG2 4.27Å; L150-I152 HydrophobicContact CD2-CG2 4.38Å; L150-I152 HydrophobicContact CG-CG2 4.08Å; I152-W154 HydrophobicContact CD1-CE3 4.26Å; I152-W154 HydrophobicContact CD1-CZ3 3.81Å; I152-W154 HydrophobicContact CG1-CE3 4.41Å; I152-W154 HydrophobicContact CG1-CZ3 3.98Å; I152-L169 HydrophobicContact CD1-CD1 4.1Å; I152-L169 HydrophobicContact CD1-CD2 4.13Å; I152-I188 HydrophobicContact CD1-CD1 4.49Å; I152-S240 CarbonylContact O-C 3.54Å; I152-S240 WeakPolarHBondContact O-CA 3.39Å; I152-C241 HydrophobicContact CD1-CB 4.06Å; I152-C241 HydrophobicContact CG1-CB 3.8Å; I152-C241 WeakPolarHBondContact CG1-O 3.14Å; I152-C241 PolarHBondContact N-O 2.06Å; I152-C241 PolarHBondContact O-N 2.83Å; I152-I243 HydrophobicContact CD1-CD1 4.24Å; I152-I243 HydrophobicContact CG1-CD1 4.44Å; I152-I243 HydrophobicContact CG2-CD1 4.48Å; I152-L254 HydrophobicContact CG2-CD2 3.96Å; I152-L256 HydrophobicContact CD1-CD1 4.45Å |
| 153 | S | 86.1 | Confident | 83.8 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 148.2 | 167.7 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | I139 K140 G239 D326 | I139-S153 CarbonylContact C-O 3.3Å; I139-S153 WeakPolarHBondContact CA-O 3.45Å; K140-S153 PolarHBondContact N-O 3.27Å; K140-S153 PolarHBondContact O-N 2.82Å; S153-G239 VanDerWaalsContact CA-O 3.29Å; S153-G239 WeakPolarHBondContact CA-O 3.36Å; S153-D326 WeakPolarHBondContact CB-OD1 3.21Å; S153-D326 PolarHBondContact OG-OD1 2.83Å |
| 154 | W | 86.7 | Confident | 84 | Confident | 14 Ų | 14 | 34.4 Ų | 34.4 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 157.7 | -175 | 64.5 | 91.9 | 0 | 0 | 0 | 111.4 | P136 I139 I152 Y167 I188 G238 G239 C241 L256 | P136-W154 HydrophobicContact CB-CB 4.21Å; P136-W154 HydrophobicContact CB-CG 4.23Å; I139-W154 HydrophobicContact CG1-CB 4.08Å; I152-W154 HydrophobicContact CD1-CE3 4.26Å; I152-W154 HydrophobicContact CD1-CZ3 3.81Å; I152-W154 HydrophobicContact CG1-CE3 4.41Å; I152-W154 HydrophobicContact CG1-CZ3 3.98Å; W154-Y167 AromaticContact CD1-CE1 3.95Å; W154-Y167 AromaticContact CZ2-CD2 3.86Å; W154-Y167 HydrophobicContact CZ2-CD2 3.86Å; W154-Y167 HydrophobicContact CZ2-CE2 4.32Å; W154-Y167 HydrophobicContact CZ2-CG 4.03Å; W154-Y167 AromaticContact NE1-CD1 3.6Å; W154-Y167 AromaticContact NE1-CD2 3.87Å; W154-Y167 AromaticContact NE1-CE1 3.38Å; W154-Y167 AromaticContact NE1-CE2 3.7Å; W154-Y167 AromaticContact NE1-CG 3.83Å; W154-Y167 AromaticContact NE1-CZ 3.45Å; W154-I188 HydrophobicContact CH2-CD1 3.73Å; W154-I188 HydrophobicContact CH2-CG2 3.9Å; W154-I188 HydrophobicContact CZ2-CD1 4.11Å; W154-I188 HydrophobicContact CZ2-CG2 4.33Å; W154-I188 HydrophobicContact CZ3-CD1 4.2Å; W154-G238 CarbonylContact O-C 3.57Å; W154-G238 WeakPolarHBondContact O-CA 3.42Å; W154-G239 PolarHBondContact N-O 3.33Å; W154-G239 PolarHBondContact O-N 3.33Å; W154-C241 HydrophobicContact CH2-CB 4.12Å; W154-C241 HydrophobicContact CZ3-CB 3.97Å; W154-L256 HydrophobicContact CB-CD2 4.31Å; W154-L256 HydrophobicContact CD2-CD2 3.54Å; W154-L256 HydrophobicContact CE3-CD2 3.66Å; W154-L256 HydrophobicContact CG-CD2 3.84Å; W154-L256 HydrophobicContact CZ3-CD2 4.22Å |
| 155 | E | 86.9 | Confident | 84.3 | Confident | 55 Ų | 55 | 34.4 Ų | 34.4 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136 | 171.7 | -170.8 | 165.4 | -165 | 0 | 0 | 110.3 | S137 I138 A236 | S137-E155 PolarHBondContact N-O 3.23Å; S137-E155 VanDerWaalsContact N-O 3.09Å; S137-E155 PolarHBondContact O-N 3.19Å; I138-E155 HydrophobicContact CB-CB 4.47Å; I138-E155 WeakPolarHBondContact CD1-OE2 3.06Å; E155-A236 HydrophobicContact CG-CB 4.45Å; E155-A236 WeakPolarHBondContact OE1-CB 3.21Å |
| 156 | A | 85 | Confident | 84.7 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | trans | -65.5 | 142.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110 | A158 Y167 V237 | A156-A158 PolarHBondContact O-N 2.92Å; A156-Y167 WeakPolarHBondContact CB-OH 3.39Å; A156-V237 VanDerWaalsContact CB-O 3.28Å; A156-V237 WeakPolarHBondContact CB-O 3.49Å; A156-V237 PolarHBondContact N-O 3.13Å | ||
| 157 | P | 82.4 | Confident | 84.8 | Confident | 35 Ų | 35 | 35 Ų | 35 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -64.3 | -29.5 | -179.6 | 28.1 | -37.5 | 0 | 0 | 0 | 113.2 | P133 A134 L165 | P133-P157 HydrophobicContact CB-CG 4.45Å; A134-P157 HydrophobicContact CB-CB 3.91Å; A134-P157 WeakPolarHBondContact O-CB 3.23Å; A134-P157 WeakPolarHBondContact O-CG 3.39Å; P157-L165 HydrophobicContact CG-CD1 3.88Å |
| 158 | A | 82.3 | Confident | 85 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -138.5 | 99.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | T44 A156 E160 I161 S162 | T44-A158 HydrophobicContact CG2-CB 4.17Å; A156-A158 PolarHBondContact O-N 2.92Å; A158-E160 PolarHBondContact O-N 3.03Å; A158-I161 HydrophobicContact CB-CD1 3.7Å; A158-I161 HydrophobicContact CB-CG1 3.57Å; A158-I161 WeakPolarHBondContact O-CG1 3.31Å; A158-I161 PolarHBondContact O-N 2.8Å; A158-S162 PolarHBondContact O-N 3.16Å |
| 159 | P | 79.9 | Confident | 85.1 | Confident | 46 Ų | 46 | 34.7 Ų | 34.7 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -63.5 | -29.3 | -172.3 | 23.2 | -31.9 | 0 | 0 | 0 | 112.9 | I161 S162 V237 | P159-I161 VanDerWaalsContact C-N 3.27Å; P159-I161 PolarHBondContact O-N 2.93Å; P159-S162 WeakPolarHBondContact O-CB 3.4Å; P159-S162 PolarHBondContact O-N 3.33Å; P159-S162 PolarHBondContact O-OG 3.36Å; P159-V237 HydrophobicContact CB-CB 3.86Å; P159-V237 HydrophobicContact CB-CG2 3.86Å |
| 160 | E | 82.3 | Confident | 85.2 | Confident | 132 Ų | 132 | 36.7 Ų | 36.7 | 62% | 0.617 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -63.6 | -30.6 | -178.7 | -60.9 | 75 | -160.1 | 0 | 0 | 113 | A158 | A158-E160 PolarHBondContact O-N 3.03Š|
| 161 | I | 81.3 | Confident | 85.3 | Confident | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -112.5 | 8.2 | -178.3 | 63.3 | 172.9 | 0 | 0 | 0 | 112.6 | F45 A158 P159 D163 F164 L165 L265 | F45-I161 HydrophobicContact CD2-CD1 3.48Å; F45-I161 VanDerWaalsContact CD2-CD1 3.48Å; F45-I161 HydrophobicContact CD2-CG2 4.49Å; F45-I161 HydrophobicContact CE2-CD1 3.83Å; A158-I161 HydrophobicContact CB-CD1 3.7Å; A158-I161 HydrophobicContact CB-CG1 3.57Å; A158-I161 WeakPolarHBondContact O-CG1 3.31Å; A158-I161 PolarHBondContact O-N 2.8Å; P159-I161 VanDerWaalsContact C-N 3.27Å; P159-I161 PolarHBondContact O-N 2.93Å; I161-D163 PolarHBondContact O-N 2.83Å; I161-D163 VanDerWaalsContact O-N 3.1Å; I161-F164 HydrophobicContact CB-CD2 4.26Å; I161-F164 WeakPolarHBondContact O-CA 3.43Å; I161-F164 PolarHBondContact O-N 2.84Å; I161-L165 HydrophobicContact CD1-CD1 4.49Å; I161-L165 HydrophobicContact CD1-CD2 4.31Å; I161-L165 HydrophobicContact CG1-CD1 4.32Å; I161-L165 HydrophobicContact CG1-CG 4.41Å; I161-L265 HydrophobicContact CB-CD1 4.16Å; I161-L265 HydrophobicContact CG2-CD1 4.12Å |
| 162 | S | 81.4 | Confident | 85.3 | Confident | 15 Ų | 15 | 37.5 Ų | 37.5 | 11% | 0.105 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -56.3 | -31.3 | -171.5 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | A158 P159 F164 L165 V237 | A158-S162 PolarHBondContact O-N 3.16Å; P159-S162 WeakPolarHBondContact O-CB 3.4Å; P159-S162 PolarHBondContact O-N 3.33Å; P159-S162 PolarHBondContact O-OG 3.36Å; S162-F164 PolarHBondContact O-N 2.99Å; S162-L165 PolarHBondContact O-N 2.94Å; S162-V237 WeakPolarHBondContact OG-CG1 3.4Å |
| 163 | D | 82.5 | Confident | 85.4 | Confident | 114 Ų | 114 | 38.7 Ų | 38.7 | 61% | 0.61 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -68.3 | -21.4 | 176.6 | -67.6 | -21.8 | 0 | 0 | 0 | 113.2 | I161 Q198 | I161-D163 PolarHBondContact O-N 2.83Å; I161-D163 VanDerWaalsContact O-N 3.1Å; D163-Q198 PolarHBondContact OD1-NE2 3.32Å; D163-Q198 PolarHBondContact OD2-NE2 3.09Å |
| 164 | F | 86.4 | Confident | 85.2 | Confident | 79 Ų | 79 | 42.8 Ų | 42.8 | 35% | 0.346 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -99.1 | 6.8 | 178.2 | -51.4 | -66.7 | 0 | 0 | 0 | 112.8 | I161 S162 P260 D261 S264 L265 | I161-F164 HydrophobicContact CB-CD2 4.26Å; I161-F164 WeakPolarHBondContact O-CA 3.43Å; I161-F164 PolarHBondContact O-N 2.84Å; S162-F164 PolarHBondContact O-N 2.99Å; F164-P260 CarbonylContact O-C 3.57Å; F164-D261 WeakPolarHBondContact O-CB 3.05Å; F164-D261 PolarHBondContact O-N 3.27Å; F164-S264 VanDerWaalsContact CD1-CB 3.41Å; F164-S264 WeakPolarHBondContact CD1-OG 3.11Å; F164-S264 WeakPolarHBondContact CE1-OG 3.32Å; F164-L265 HydrophobicContact CB-CD1 3.79Å; F164-L265 HydrophobicContact CB-CG 4.29Å; F164-L265 HydrophobicContact CD2-CD1 4.01Å; F164-L265 HydrophobicContact CG-CD1 4.11Å |
| 165 | L | 86.3 | Confident | 84.7 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 135.7 | 178.8 | -64 | -180 | 0 | 0 | 0 | 111.1 | P133 P157 I161 S162 Y167 | P133-L165 HydrophobicContact CB-CD2 4.21Å; P133-L165 HydrophobicContact CG-CD2 3.73Å; P157-L165 HydrophobicContact CG-CD1 3.88Å; I161-L165 HydrophobicContact CD1-CD1 4.49Å; I161-L165 HydrophobicContact CD1-CD2 4.31Å; I161-L165 HydrophobicContact CG1-CD1 4.32Å; I161-L165 HydrophobicContact CG1-CG 4.41Å; S162-L165 PolarHBondContact O-N 2.94Å; L165-Y167 HydrophobicContact CB-CE2 4.35Å |
| 166 | R | 86.9 | Confident | 83.3 | Confident | 112 Ų | 112 | 51.7 Ų | 51.7 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 150.9 | 166.7 | -64.2 | -178.9 | -178.3 | 155.3 | 8.3 | 109.5 | S258 E259 D261 | R166-S258 CarbonylContact O-C 3.55Å; R166-S258 WeakPolarHBondContact O-CA 3.32Å; R166-E259 PolarHBondContact N-O 3.26Å; R166-E259 PolarHBondContact O-N 3.11Å; R166-D261 HydrophobicContact CG-CB 4.41Å; R166-D261 PolarHBondContact NH1-O 3.08Å; R166-D261 PolarHBondContact NH2-O 3.02Å |
| 167 | Y | 87.9 | Confident | 81.9 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.2 | -177.8 | -58.1 | -84 | 0 | 0 | 0 | 110.8 | P136 W154 A156 L165 I188 R257 | P136-Y167 HydrophobicContact CG-CD1 3.72Å; P136-Y167 HydrophobicContact CG-CE1 3.76Å; W154-Y167 AromaticContact CD1-CE1 3.95Å; W154-Y167 AromaticContact CZ2-CD2 3.86Å; W154-Y167 HydrophobicContact CZ2-CD2 3.86Å; W154-Y167 HydrophobicContact CZ2-CE2 4.32Å; W154-Y167 HydrophobicContact CZ2-CG 4.03Å; W154-Y167 AromaticContact NE1-CD1 3.6Å; W154-Y167 AromaticContact NE1-CD2 3.87Å; W154-Y167 AromaticContact NE1-CE1 3.38Å; W154-Y167 AromaticContact NE1-CE2 3.7Å; W154-Y167 AromaticContact NE1-CG 3.83Å; W154-Y167 AromaticContact NE1-CZ 3.45Å; A156-Y167 WeakPolarHBondContact CB-OH 3.39Å; L165-Y167 HydrophobicContact CB-CE2 4.35Å; Y167-I188 WeakPolarHBondContact O-CB 3.35Å; Y167-I188 PolarHBondContact O-N 3.38Å; Y167-R257 WeakPolarHBondContact CA-O 3.48Å |
| 168 | E | 89.3 | Confident | 80.4 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 9% | 0.093 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.3 | 170.9 | -166.7 | -170.6 | -116.6 | 0 | 0 | 109.2 | I185 Q186 L256 R257 W269 W272 | E168-I185 HydrophobicContact CG-CG2 3.82Å; E168-I185 WeakPolarHBondContact OE1-CG2 3.11Å; E168-Q186 WeakPolarHBondContact CG-O 3.21Å; E168-L256 WeakPolarHBondContact O-CA 3.37Å; E168-R257 HydrophobicContact CB-CG 4.04Å; E168-R257 PolarHBondContact N-O 2.87Å; E168-R257 PolarHBondContact O-N 2.93Å; E168-R257 IonicContact OE1-NH2 2.92Å; E168-R257 PolarHBondContact OE1-NH2 2.91Å; E168-R257 IonicContact OE2-CZ 3.25Å; E168-R257 IonicContact OE2-NE 3.72Å; E168-R257 PolarHBondContact OE2-NE 2.84Å; E168-R257 IonicContact OE2-NH2 3.95Å; E168-R257 PolarHBondContact OE2-NH2 2.8Å; E168-W269 HydrophobicContact CB-CE3 4.33Å; E168-W269 HydrophobicContact CB-CH2 3.62Å; E168-W269 HydrophobicContact CB-CZ2 4.43Å; E168-W269 HydrophobicContact CB-CZ3 3.55Å; E168-W272 HydrophobicContact CB-CH2 4.44Å; E168-W272 HydrophobicContact CG-CH2 4.2Å; E168-W272 WeakPolarHBondContact O-CZ3 3.35Å; E168-W272 WeakPolarHBondContact OE2-CH2 3.36Å; E168-W272 WeakPolarHBondContact OE2-CZ2 3.35Å |
| 169 | L | 89.3 | Confident | 78.9 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.3 | 177.9 | 178.1 | 70.4 | 0 | 0 | 0 | 109.1 | I152 Y171 I185 Q186 I188 I243 L254 L256 | I152-L169 HydrophobicContact CD1-CD1 4.1Å; I152-L169 HydrophobicContact CD1-CD2 4.13Å; L169-Y171 HydrophobicContact CD2-CD1 3.71Å; L169-Y171 HydrophobicContact CD2-CE1 4.15Å; L169-Y171 HydrophobicContact CG-CD1 3.98Å; L169-I185 WeakPolarHBondContact O-CA 3.46Å; L169-Q186 PolarHBondContact N-O 2.96Å; L169-Q186 PolarHBondContact O-N 2.93Å; L169-I188 HydrophobicContact CB-CD1 4.07Å; L169-I188 HydrophobicContact CB-CG1 4Å; L169-I243 HydrophobicContact CD2-CD1 3.32Å; L169-I243 HydrophobicContact CD2-CG1 4.17Å; L169-L254 HydrophobicContact CD1-CB 4.21Å; L169-L256 HydrophobicContact CD1-CD1 3.41Å; L169-L256 VanDerWaalsContact CD1-CD1 3.41Å; L169-L256 HydrophobicContact CD1-CG 4.03Å |
| 170 | R | 88.1 | Confident | 77.3 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.6 | 161 | 70.5 | -179.1 | -177.6 | -166.4 | -2.2 | 110.2 | T183 V184 I185 W253 L254 Q255 W272 | R170-T183 HydrophobicContact CB-CG2 4.44Å; R170-V184 VanDerWaalsContact CA-O 3.28Å; R170-V184 WeakPolarHBondContact CA-O 3.26Å; R170-I185 HydrophobicContact CB-CG1 4.07Å; R170-W253 HydrophobicContact CG-CH2 4.08Å; R170-W253 HydrophobicContact CG-CZ3 3.83Å; R170-L254 CarbonylContact O-C 3.44Å; R170-L254 VanDerWaalsContact O-CA 3.26Å; R170-L254 WeakPolarHBondContact O-CA 3.48Å; R170-Q255 HydrophobicContact CG-CB 3.82Å; R170-Q255 PolarHBondContact N-O 2.97Å; R170-Q255 PolarHBondContact O-N 3.4Å; R170-W272 HydrophobicContact CB-CH2 3.7Å; R170-W272 HydrophobicContact CB-CZ2 4.38Å; R170-W272 HydrophobicContact CB-CZ3 3.85Å; R170-W272 HydrophobicContact CG-CD2 4.3Å; R170-W272 HydrophobicContact CG-CE3 3.77Å; R170-W272 HydrophobicContact CG-CH2 3.7Å; R170-W272 HydrophobicContact CG-CZ2 4.24Å; R170-W272 HydrophobicContact CG-CZ3 3.45Å; R170-W272 VanDerWaalsContact CG-CZ3 3.45Å; R170-W272 VanDerWaalsContact CZ-CD2 3.42Å; R170-W272 VanDerWaalsContact NH1-NE1 3.11Å; R170-W272 VanDerWaalsContact NH2-CG 3.34Å |
| 171 | Y | 88.8 | Confident | 76 | Confident | 28 Ų | 28 | 69.2 Ų | 69.2 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 158.6 | 177.6 | 67 | -87.1 | 0 | 0 | 0 | 111.9 | L169 V184 L246 W253 | L169-Y171 HydrophobicContact CD2-CD1 3.71Å; L169-Y171 HydrophobicContact CD2-CE1 4.15Å; L169-Y171 HydrophobicContact CG-CD1 3.98Å; Y171-V184 HydrophobicContact CD1-CB 4.33Å; Y171-V184 HydrophobicContact CE1-CB 3.83Å; Y171-V184 HydrophobicContact CE1-CG1 3.82Å; Y171-V184 HydrophobicContact CE2-CB 4.08Å; Y171-V184 HydrophobicContact CE2-CG2 4.23Å; Y171-V184 PolarHBondContact N-O 2.87Å; Y171-V184 PolarHBondContact O-N 3.27Å; Y171-L246 HydrophobicContact CD2-CD2 4.14Å; Y171-L246 HydrophobicContact CE2-CD2 3.48Å; Y171-L246 VanDerWaalsContact CE2-CD2 3.48Å; Y171-W253 CarbonylContact C-O 3.48Å; Y171-W253 WeakPolarHBondContact CA-O 3.2Å; Y171-W253 WeakPolarHBondContact CB-O 3.21Å |
| 172 | G | 86.3 | Confident | 75.1 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 167.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y252 W253 | G172-Y252 CarbonylContact O-C 3.58Å; G172-Y252 VanDerWaalsContact O-CA 3.26Å; G172-Y252 WeakPolarHBondContact O-CA 3.28Å; G172-W253 PolarHBondContact N-O 2.81Å; G172-W253 PolarHBondContact O-N 2.8Å |
| 173 | P | 86.9 | Confident | 74.8 | Confident | 26 Ų | 26 | 76.3 Ų | 76.3 | 17% | 0.169 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 143.6 | 175 | 22.9 | -27.8 | 0 | 0 | 0 | 110.8 | S179 Y252 W253 | P173-S179 WeakPolarHBondContact CG-OG 3.35Å; P173-Y252 HydrophobicContact CB-CE1 4.48Å; P173-W253 PolarHBondContact O-NE1 3.43Å |
| 174 | K | 83.3 | Confident | 74.6 | Confident | 98 Ų | 98 | 73.5 Ų | 73.5 | 43% | 0.426 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -69.2 | -40.1 | -178.3 | -171.9 | 178.8 | 178 | -179.7 | 0 | 112.2 | L176 S251 T277 | K174-L176 PolarHBondContact O-N 2.84Å; K174-S251 WeakPolarHBondContact CB-O 3.18Å; K174-S251 PolarHBondContact N-O 2.99Å; K174-T277 HydrophobicContact CD-CG2 4.44Å |
| 175 | D | 74.9 | Confident | 74.2 | Confident | 107 Ų | 107 | 74.6 Ų | 74.6 | 57% | 0.572 | 40% | 0.395 | S | S | * | . | trans | -89.3 | 91 | -176.7 | -69.4 | -34.1 | 0 | 0 | 0 | 112.2 | K177 N178 S179 | D175-K177 PolarHBondContact O-N 3.49Å; D175-K177 VanDerWaalsContact O-N 3.1Å; D175-N178 PolarHBondContact O-N 2.93Å; D175-S179 PolarHBondContact O-N 3.43Å | ||
| 176 | L | 58.3 | Low | 73.9 | Confident | 149 Ų | 149 | 77.7 Ų | 77.7 | 78% | 0.78 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.1 | 178.1 | -133.7 | 84.7 | 0 | 0 | 0 | 113.9 | K174 | K174-L176 PolarHBondContact O-N 2.84Š|
| 177 | K | 55.9 | Low | 73.3 | Confident | 206 Ų | 206 | 77.2 Ų | 77.2 | 90% | 0.896 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -28.7 | -175.6 | -79.9 | -175 | 176.7 | -179.9 | 0 | 114.4 | D175 | D175-K177 PolarHBondContact O-N 3.49Å; D175-K177 VanDerWaalsContact O-N 3.1Å |
| 178 | N | 51.1 | Low | 72.7 | Confident | 158 Ų | 158 | 77.6 Ų | 77.6 | 85% | 0.845 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -10.3 | -178.7 | -78.9 | -5.8 | 0 | 0 | 0 | 113.1 | D175 | D175-N178 PolarHBondContact O-N 2.93Š|
| 179 | S | 49.8 | Very low | 71.3 | Confident | 38 Ų | 38 | 79 Ų | 79 | 27% | 0.266 | 43% | 0.433 | S | S | . | . | trans | -120.9 | 112 | -178.4 | 141.4 | 0 | 0 | 0 | 0 | 110.4 | P173 D175 G181 | P173-S179 WeakPolarHBondContact CG-OG 3.35Å; D175-S179 PolarHBondContact O-N 3.43Å; S179-G181 PolarHBondContact O-N 2.87Å; S179-G181 VanDerWaalsContact O-N 3.14Å; S179-G181 PolarHBondContact OG-N 3.45Å | ||
| 180 | T | 47.4 | Very low | 69.7 | Low | 151 Ų | 151 | 85 Ų | 85 | 93% | 0.926 | 47% | 0.47 | S | S | * | . | trans | -78.1 | 32.9 | 160.3 | -27.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 181 | G | 54.1 | Low | 67.8 | Low | 36 Ų | 36 | 91.3 Ų | 91.3 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 127.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S179 | S179-G181 PolarHBondContact O-N 2.87Å; S179-G181 VanDerWaalsContact O-N 3.14Å; S179-G181 PolarHBondContact OG-N 3.45Å |
| 182 | P | 62.4 | Low | 65.9 | Low | 104 Ų | 104 | 93.6 Ų | 93.6 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 140.6 | 172.6 | 26.5 | -32.5 | 0 | 0 | 0 | 109.9 | V184 | P182-V184 PolarHBondContact O-N 3.1Š|
| 183 | T | 74.1 | Confident | 64.7 | Low | 76 Ų | 76 | 94.3 Ų | 94.3 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 118.8 | 164.3 | -56.6 | 0 | 0 | 0 | 0 | 107.6 | R170 W253 | R170-T183 HydrophobicContact CB-CG2 4.44Å; T183-W253 HydrophobicContact CG2-CH2 3.78Å; T183-W253 HydrophobicContact CG2-CZ2 3.81Å |
| 184 | V | 78.4 | Confident | 63.4 | Low | 55 Ų | 55 | 94.3 Ų | 94.3 | 33% | 0.333 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.9 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | R170 Y171 P182 | R170-V184 VanDerWaalsContact CA-O 3.28Å; R170-V184 WeakPolarHBondContact CA-O 3.26Å; Y171-V184 HydrophobicContact CD1-CB 4.33Å; Y171-V184 HydrophobicContact CE1-CB 3.83Å; Y171-V184 HydrophobicContact CE1-CG1 3.82Å; Y171-V184 HydrophobicContact CE2-CB 4.08Å; Y171-V184 HydrophobicContact CE2-CG2 4.23Å; Y171-V184 PolarHBondContact N-O 2.87Å; Y171-V184 PolarHBondContact O-N 3.27Å; P182-V184 PolarHBondContact O-N 3.1Å |
| 185 | I | 79.4 | Confident | 61.7 | Low | 102 Ų | 102 | 95.2 Ų | 95.2 | 52% | 0.523 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.7 | 172.4 | -59.6 | 171.1 | 0 | 0 | 0 | 106.4 | E168 L169 R170 | E168-I185 HydrophobicContact CG-CG2 3.82Å; E168-I185 WeakPolarHBondContact OE1-CG2 3.11Å; L169-I185 WeakPolarHBondContact O-CA 3.46Å; R170-I185 HydrophobicContact CB-CG1 4.07Å |
| 186 | Q | 78.8 | Confident | 60.4 | Low | 80 Ų | 80 | 92.2 Ų | 92.2 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 129.5 | -174.6 | -174.3 | 177 | 13.1 | 0 | 0 | 110.2 | E168 L169 | E168-Q186 WeakPolarHBondContact CG-O 3.21Å; L169-Q186 PolarHBondContact N-O 2.96Å; L169-Q186 PolarHBondContact O-N 2.93Å |
| 187 | L | 75.8 | Confident | 59.6 | Low | 102 Ų | 102 | 92 Ų | 92 | 53% | 0.534 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 129.5 | 165 | -88 | 133.6 | 0 | 0 | 0 | 109.4 | A189 W269 | L187-A189 PolarHBondContact O-N 3.5Å; L187-W269 HydrophobicContact CD2-CH2 3.99Å; L187-W269 HydrophobicContact CD2-CZ2 4.16Å |
| 188 | I | 73.9 | Confident | 58.8 | Low | 31 Ų | 31 | 88.5 Ų | 88.5 | 16% | 0.159 | 52% | 0.515 | C | S | . | . | trans | -74 | 98.2 | 179.6 | -61.9 | -167.1 | 0 | 0 | 0 | 107.5 | I152 W154 Y167 L169 C193 L256 | I152-I188 HydrophobicContact CD1-CD1 4.49Å; W154-I188 HydrophobicContact CH2-CD1 3.73Å; W154-I188 HydrophobicContact CH2-CG2 3.9Å; W154-I188 HydrophobicContact CZ2-CD1 4.11Å; W154-I188 HydrophobicContact CZ2-CG2 4.33Å; W154-I188 HydrophobicContact CZ3-CD1 4.2Å; Y167-I188 WeakPolarHBondContact O-CB 3.35Å; Y167-I188 PolarHBondContact O-N 3.38Å; L169-I188 HydrophobicContact CB-CD1 4.07Å; L169-I188 HydrophobicContact CB-CG1 4Å; I188-C193 HydrophobicContact CG2-CB 4.15Å; I188-C193 WeakPolarHBondContact CG2-SG 3.31Å; I188-L256 HydrophobicContact CD1-CD2 4.04Å; I188-L256 HydrophobicContact CD1-CG 4.45Å | ||
| 189 | A | 60.5 | Low | 57.7 | Low | 50 Ų | 50 | 89.8 Ų | 89.8 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | trans | -74.9 | 137.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L187 E191 T192 C193 | L187-A189 PolarHBondContact O-N 3.5Å; A189-E191 PolarHBondContact O-N 3.42Å; A189-E191 VanDerWaalsContact O-N 3.13Å; A189-T192 PolarHBondContact O-N 2.87Å; A189-T192 PolarHBondContact O-OG1 3.1Å; A189-C193 PolarHBondContact O-SG 3.31Å | ||
| 190 | T | 54.6 | Low | 56.7 | Low | 129 Ų | 129 | 93.2 Ų | 93.2 | 79% | 0.791 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.4 | 177.9 | 38.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 191 | E | 48.5 | Very low | 55.7 | Low | 190 Ų | 190 | 94.5 Ų | 94.5 | 89% | 0.888 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -26.7 | -179.8 | -57.3 | -162.1 | 178.6 | 0 | 0 | 113.9 | A189 | A189-E191 PolarHBondContact O-N 3.42Å; A189-E191 VanDerWaalsContact O-N 3.13Å |
| 192 | T | 50 | Low | 54.3 | Low | 75 Ų | 75 | 98.4 Ų | 98.4 | 46% | 0.46 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -5.7 | 178.5 | 40.7 | 0 | 0 | 0 | 0 | 113.4 | A189 C241 | A189-T192 PolarHBondContact O-N 2.87Å; A189-T192 PolarHBondContact O-OG1 3.1Å; T192-C241 PolarHBondContact O-SG 3.38Å |
| 193 | C | 61.4 | Low | 52.5 | Low | 17 Ų | 17 | 97.8 Ų | 97.8 | 12% | 0.115 | 55% | 0.55 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.3 | -167.9 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | I188 A189 P195 S240 C241 | I188-C193 HydrophobicContact CG2-CB 4.15Å; I188-C193 WeakPolarHBondContact CG2-SG 3.31Å; A189-C193 PolarHBondContact O-SG 3.31Å; C193-P195 WeakPolarHBondContact O-CD 3.5Å; C193-S240 CarbonylContact C-O 3.54Å; C193-S240 WeakPolarHBondContact CA-O 2.8Å; C193-S240 VanDerWaalsContact CB-O 3.31Å; C193-S240 WeakPolarHBondContact CB-O 3.26Å; C193-C241 HydrophobicContact CB-CB 3.7Å; C193-C241 WeakPolarHBondContact CB-SG 3.26Å; C193-C241 WeakPolarHBondContact SG-CB 3.43Å; C193-C241 CovalentContact SG-SG 2.06Å; C193-C241 PolarHBondContact SG-SG 2.94Å |
| 194 | C | 58.1 | Low | 50.2 | Low | 26 Ų | 26 | 100.1 Ų | 100.1 | 18% | 0.176 | 57% | 0.57 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.1 | 116.7 | -179.7 | -75.8 | 0 | 0 | 0 | 0 | 109.5 | A196 S240 C322 C323 | C194-A196 PolarHBondContact O-N 3.32Å; C194-S240 VanDerWaalsContact CB-OG 3.24Å; C194-S240 WeakPolarHBondContact CB-OG 3.43Å; C194-S240 PolarHBondContact N-O 3.3Å; C194-S240 PolarHBondContact O-N 3.26Å; C194-S240 PolarHBondContact O-OG 3.34Å; C194-C322 PolarHBondContact SG-O 2.85Å; C194-C323 HydrophobicContact CB-CB 3.58Å; C194-C323 WeakPolarHBondContact CB-SG 3.5Å; C194-C323 WeakPolarHBondContact SG-CB 3.44Å; C194-C323 CovalentContact SG-SG 2Å; C194-C323 PolarHBondContact SG-SG 3.32Å |
| 195 | P | 48.3 | Very low | 47.9 | Very low | 117 Ų | 117 | 102 Ų | 102 | 76% | 0.76 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -59.6 | 128.4 | 170.6 | 24.5 | -30.8 | 0 | 0 | 0 | 108 | C193 L197 | C193-P195 WeakPolarHBondContact O-CD 3.5Å; P195-L197 PolarHBondContact O-N 3.33Å |
| 196 | A | 48 | Very low | 45.4 | Very low | 44 Ų | 44 | 105.1 Ų | 105.1 | 36% | 0.364 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -59 | 138 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108 | C194 Q198 G238 | C194-A196 PolarHBondContact O-N 3.32Å; A196-Q198 PolarHBondContact O-N 3.3Å; A196-G238 WeakPolarHBondContact CB-O 3.28Å |
| 197 | L | 41.7 | Very low | 42.9 | Very low | 146 Ų | 146 | 108.4 Ų | 108.4 | 76% | 0.764 | 63% | 0.627 | S | S | * | * | trans | -51.7 | 98.6 | -177.8 | -108.6 | 115.6 | 0 | 0 | 0 | 111.2 | P195 R199 | P195-L197 PolarHBondContact O-N 3.33Å; L197-R199 PolarHBondContact O-N 3.01Å | ||
| 198 | Q | 38.1 | Very low | 40.5 | Very low | 131 Ų | 131 | 112.2 Ų | 112.2 | 61% | 0.612 | 64% | 0.643 | S | S | * | * | trans | -63.5 | 120.3 | 149.3 | -77.5 | -179.8 | -5.4 | 0 | 0 | 105.8 | D163 A196 P200 | D163-Q198 PolarHBondContact OD1-NE2 3.32Å; D163-Q198 PolarHBondContact OD2-NE2 3.09Å; A196-Q198 PolarHBondContact O-N 3.3Å; Q198-P200 VanDerWaalsContact O-CD 3.3Å; Q198-P200 WeakPolarHBondContact O-CD 3.14Å | ||
| 199 | R | 27.8 | Very low | 38 | Very low | 185 Ų | 185 | 116 Ų | 116 | 70% | 0.698 | 67% | 0.672 | S | S | * | * | trans | -61.2 | 120.7 | 178 | -162.7 | -176.5 | -76.3 | 158.7 | -4.7 | 107 | L197 H201 | L197-R199 PolarHBondContact O-N 3.01Å; R199-H201 PolarHBondContact O-N 3.11Å | ||
| 200 | P | 29.6 | Very low | 36.4 | Very low | 111 Ų | 111 | 119.7 Ų | 119.7 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | trans | -68.9 | 111.1 | 177.6 | -13.4 | 27.1 | 0 | 0 | 0 | 108.2 | Q198 | Q198-P200 VanDerWaalsContact O-CD 3.3Å; Q198-P200 WeakPolarHBondContact O-CD 3.14Å | ||
| 201 | H | 26.2 | Very low | 34.9 | Very low | 178 Ų | 178 | 120 Ų | 120 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | trans | -66.2 | 127.9 | 147.2 | -80.2 | -75.9 | 0 | 0 | 0 | 107.3 | R199 A203 | R199-H201 PolarHBondContact O-N 3.11Å; H201-A203 PolarHBondContact O-N 2.93Å | ||
| 202 | S | 25.3 | Very low | 33.7 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -19.4 | 117.2 | 177.3 | -52.8 | 0 | 0 | 0 | 0 | 117.7 | ||
| 203 | A | 24.4 | Very low | 32.5 | Very low | 91 Ų | 91 | 120.9 Ų | 120.9 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | 58.5 | 117.8 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120 | H201 | H201-A203 PolarHBondContact O-N 2.93Š| ||
| 204 | S | 25.3 | Very low | 30.8 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 88% | 0.881 | 75% | 0.745 | S | S | * | * | -148.2 | 124.5 | 113 | -79.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 205 | A | 29.4 | Very low | 29.1 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 131.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 206 | L | 27 | Very low | 28 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | 169.3 | 113.9 | 159.7 | -91.2 | 142.1 | 0 | 0 | 0 | 102.6 | ||||
| 207 | D | 26.1 | Very low | 26.9 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | -160.2 | 163.3 | 44.9 | -155.4 | -4.7 | 0 | 0 | 0 | 110.6 | ||||
| 208 | Q | 25.6 | Very low | 25.9 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -83.1 | 154.7 | -154.7 | -62.5 | 170.2 | -11.1 | 0 | 0 | 115.7 | ||||
| 209 | S | 23 | Very low | 25.2 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -117.4 | 144.8 | 150.1 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 210 | P | 26.4 | Very low | 25 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -95.7 | 113.7 | -167.3 | 33.8 | -27.9 | 0 | 0 | 0 | 111.7 | ||||
| 211 | C | 23.1 | Very low | 24.6 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | trans | -140.4 | 99.4 | 151 | -88.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 212 | A | 22.6 | Very low | 24.7 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -72 | 137.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 213 | Q | 25.1 | Very low | 24.6 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -175.2 | 158.3 | 131.9 | -101 | -175.3 | 0.2 | 0 | 0 | 111 | ||||
| 214 | P | 25.8 | Very low | 24.6 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | -101.4 | 155.2 | -128.5 | 10.9 | 9.1 | 0 | 0 | 0 | 116.2 | |||||
| 215 | T | 22.1 | Very low | 24.4 | Very low | 122 Ų | 122 | 144 Ų | 144 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -44.9 | 137.6 | 172.7 | -40.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 216 | V | 24.7 | Very low | 24 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | -142.7 | 134.8 | 131.5 | -160.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 217 | P | 25.3 | Very low | 23.9 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 61% | 0.61 | 82% | 0.815 | S | S | * | * | trans | -107.7 | 144.6 | -166.2 | 32.9 | -20 | 0 | 0 | 0 | 114.2 | ||||
| 218 | W | 22 | Very low | 23.8 | Very low | 243 Ų | 243 | 141.4 Ų | 141.4 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | trans | -137 | 108.5 | 156.9 | -86.8 | 92.2 | 0 | 0 | 0 | 112.3 | ||||
| 219 | Q | 22.7 | Very low | 23.6 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | 3.4 | 142.6 | 160.6 | -69.7 | -179.8 | -33.8 | 0 | 0 | 124.6 | ||||
| 220 | D | 23.1 | Very low | 23.9 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -52.8 | 156.2 | 170.4 | -78.5 | -56.3 | 0 | 0 | 0 | 118.3 | ||||
| 221 | G | 22.1 | Very low | 23.6 | Very low | 73 Ų | 73 | 145.6 Ų | 145.6 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -163.7 | 118.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 222 | P | 27.5 | Very low | 23.7 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | trans | -108 | 172.5 | -167.2 | 39.4 | -33.5 | 0 | 0 | 0 | 115.6 | ||||
| 223 | K | 23.2 | Very low | 23.7 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | 93.8 | 130.7 | 165.1 | -57.9 | 175.8 | 179.7 | 179.7 | 0 | 113.5 | ||||
| 224 | Q | 24.2 | Very low | 23.8 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | -165.7 | 130.5 | 60 | -157.7 | 162.6 | 12.7 | 0 | 0 | 111.2 | |||||
| 225 | T | 22.2 | Very low | 24 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -80 | 140.8 | 170.4 | 35.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 226 | S | 21.2 | Very low | 24.6 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -142.5 | 155.9 | 157.5 | 64.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 227 | P | 24.8 | Very low | 26.3 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -101.6 | 155.5 | -147.7 | 37.4 | -32.1 | 0 | 0 | 0 | 115.1 | ||||
| 228 | T | 22.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | 47.4 | 110.6 | 143.4 | -39.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 229 | R | 22.6 | Very low | 30.8 | Very low | 242 Ų | 242 | 120.9 Ų | 120.9 | 91% | 0.913 | 70% | 0.704 | S | S | * | * | trans | -132.5 | 113.3 | 138.8 | -159.7 | 172.9 | -174.9 | 171.2 | 1 | 108.7 | A231 | R229-A231 PolarHBondContact O-N 3.16Š| ||
| 230 | E | 28.3 | Very low | 33.4 | Very low | 176 Ų | 176 | 113.4 Ų | 113.4 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | trans | -49.4 | 121.8 | 169.9 | -75.3 | 160.9 | 140.3 | 0 | 0 | 110 | ||||
| 231 | A | 21.2 | Very low | 36.1 | Very low | 91 Ų | 91 | 105.9 Ų | 105.9 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | trans | -127.3 | 96.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | R229 A233 | R229-A231 PolarHBondContact O-N 3.16Å; A231-A233 PolarHBondContact O-N 2.86Å | ||
| 232 | S | 25.5 | Very low | 39 | Very low | 128 Ų | 128 | 105.6 Ų | 105.6 | 90% | 0.895 | 61% | 0.612 | S | S | * | * | trans | -55.1 | 102 | 168.3 | -51.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 233 | A | 22.6 | Very low | 41.6 | Very low | 65 Ų | 65 | 101 Ų | 101 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | trans | -111.6 | 100.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | A231 T235 | A231-A233 PolarHBondContact O-N 2.86Å; A233-T235 PolarHBondContact O-N 2.53Å; A233-T235 PolarHBondContact O-OG1 2.88Å | ||
| 234 | L | 26.1 | Very low | 44.6 | Very low | 181 Ų | 181 | 95.1 Ų | 95.1 | 95% | 0.948 | 57% | 0.565 | S | S | * | * | trans | -42.8 | 115 | 165.1 | -78.5 | 146 | 0 | 0 | 0 | 108.1 | A236 | L234-A236 PolarHBondContact O-N 2.87Š| ||
| 235 | T | 29.9 | Very low | 47.3 | Very low | 97 Ų | 97 | 89.9 Ų | 89.9 | 60% | 0.595 | 56% | 0.562 | S | S | * | * | trans | -88.8 | 99.4 | -174.5 | -24.6 | 0 | 0 | 0 | 0 | 105.7 | A233 V237 | A233-T235 PolarHBondContact O-N 2.53Å; A233-T235 PolarHBondContact O-OG1 2.88Å; T235-V237 WeakPolarHBondContact O-CG2 3.39Å; T235-V237 PolarHBondContact O-N 3.18Å; T235-V237 VanDerWaalsContact O-N 3.08Å | ||
| 236 | A | 35.2 | Very low | 50.4 | Low | 68 Ų | 68 | 83.7 Ų | 83.7 | 56% | 0.562 | 52% | 0.523 | S | S | * | . | trans | -62.2 | 111.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108 | E155 L234 | E155-A236 HydrophobicContact CG-CB 4.45Å; E155-A236 WeakPolarHBondContact OE1-CB 3.21Å; L234-A236 PolarHBondContact O-N 2.87Å | ||
| 237 | V | 59.6 | Low | 53.6 | Low | 46 Ų | 46 | 84.4 Ų | 84.4 | 28% | 0.279 | 51% | 0.514 | S | S | . | . | trans | -93.4 | 116.8 | 177.9 | -168 | 0 | 0 | 0 | 0 | 107.3 | A156 P159 S162 T235 | A156-V237 VanDerWaalsContact CB-O 3.28Å; A156-V237 WeakPolarHBondContact CB-O 3.49Å; A156-V237 PolarHBondContact N-O 3.13Å; P159-V237 HydrophobicContact CB-CB 3.86Å; P159-V237 HydrophobicContact CB-CG2 3.86Å; S162-V237 WeakPolarHBondContact OG-CG1 3.4Å; T235-V237 WeakPolarHBondContact O-CG2 3.39Å; T235-V237 PolarHBondContact O-N 3.18Å; T235-V237 VanDerWaalsContact O-N 3.08Å | ||
| 238 | G | 65.6 | Low | 56.7 | Low | 20 Ų | 20 | 81.2 Ų | 81.2 | 21% | 0.206 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 176.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W154 A196 | W154-G238 CarbonylContact O-C 3.57Å; W154-G238 WeakPolarHBondContact O-CA 3.42Å; A196-G238 WeakPolarHBondContact CB-O 3.28Å |
| 239 | G | 76.2 | Confident | 59.8 | Low | 14 Ų | 14 | 77.5 Ų | 77.5 | 14% | 0.144 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 157.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S153 W154 | S153-G239 VanDerWaalsContact CA-O 3.29Å; S153-G239 WeakPolarHBondContact CA-O 3.36Å; W154-G239 PolarHBondContact N-O 3.33Å; W154-G239 PolarHBondContact O-N 3.33Å |
| 240 | S | 78.8 | Confident | 63 | Low | 17 Ų | 17 | 69.1 Ų | 69.1 | 12% | 0.119 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 140.3 | 169.6 | 64 | 0 | 0 | 0 | 0 | 110.7 | I152 C193 C194 | I152-S240 CarbonylContact O-C 3.54Å; I152-S240 WeakPolarHBondContact O-CA 3.39Å; C193-S240 CarbonylContact C-O 3.54Å; C193-S240 WeakPolarHBondContact CA-O 2.8Å; C193-S240 VanDerWaalsContact CB-O 3.31Å; C193-S240 WeakPolarHBondContact CB-O 3.26Å; C194-S240 VanDerWaalsContact CB-OG 3.24Å; C194-S240 WeakPolarHBondContact CB-OG 3.43Å; C194-S240 PolarHBondContact N-O 3.3Å; C194-S240 PolarHBondContact O-N 3.26Å; C194-S240 PolarHBondContact O-OG 3.34Å |
| 241 | C | 79.9 | Confident | 65.9 | Low | 10 Ų | 10 | 62.2 Ų | 62.2 | 7% | 0.068 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149.3 | -177.9 | -154.9 | 0 | 0 | 0 | 0 | 112.5 | Q151 I152 W154 T192 C193 | Q151-C241 WeakPolarHBondContact CA-O 3.47Å; I152-C241 HydrophobicContact CD1-CB 4.06Å; I152-C241 HydrophobicContact CG1-CB 3.8Å; I152-C241 WeakPolarHBondContact CG1-O 3.14Å; I152-C241 PolarHBondContact N-O 2.06Å; I152-C241 PolarHBondContact O-N 2.83Å; W154-C241 HydrophobicContact CH2-CB 4.12Å; W154-C241 HydrophobicContact CZ3-CB 3.97Å; T192-C241 PolarHBondContact O-SG 3.38Å; C193-C241 HydrophobicContact CB-CB 3.7Å; C193-C241 WeakPolarHBondContact CB-SG 3.26Å; C193-C241 WeakPolarHBondContact SG-CB 3.43Å; C193-C241 CovalentContact SG-SG 2.06Å; C193-C241 PolarHBondContact SG-SG 2.94Å |
| 242 | L | 82.3 | Confident | 69.1 | Low | 66 Ų | 66 | 58.6 Ų | 58.6 | 35% | 0.346 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.4 | 176 | -172.2 | 73.8 | 0 | 0 | 0 | 109.3 | E149 Q151 | E149-L242 HydrophobicContact CB-CD1 4.16Å; Q151-L242 HydrophobicContact CB-CD1 4.18Å |
| 243 | I | 82.9 | Confident | 72.2 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.4 | 178.3 | -56 | 154.7 | 0 | 0 | 0 | 107.2 | E149 L150 I152 L169 L246 | E149-I243 CarbonylContact C-O 3.44Å; E149-I243 VanDerWaalsContact CA-O 3.28Å; E149-I243 WeakPolarHBondContact CA-O 3.34Å; L150-I243 HydrophobicContact CB-CB 4.34Å; L150-I243 HydrophobicContact CD2-CD1 3.98Å; L150-I243 HydrophobicContact CG-CD1 4.24Å; L150-I243 PolarHBondContact N-O 2.77Å; L150-I243 PolarHBondContact O-N 3.29Å; I152-I243 HydrophobicContact CD1-CD1 4.24Å; I152-I243 HydrophobicContact CG1-CD1 4.44Å; I152-I243 HydrophobicContact CG2-CD1 4.48Å; L169-I243 HydrophobicContact CD2-CD1 3.32Å; L169-I243 HydrophobicContact CD2-CG1 4.17Å; I243-L246 HydrophobicContact CG2-CD1 4.33Å; I243-L246 HydrophobicContact CG2-CG 4.36Å |
| 244 | S | 84.9 | Confident | 75.5 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 52% | 0.524 | 33% | 0.333 | S | S | . | . | trans | -111.7 | 161.6 | -179.3 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 245 | G | 82 | Confident | 78.6 | Confident | 80 Ų | 80 | 44.7 Ų | 44.7 | 83% | 0.825 | 29% | 0.293 | S | S | * | . | trans | 85.2 | 15.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | G148 | G148-G245 PolarHBondContact O-N 3.39Š| ||
| 246 | L | 86.4 | Confident | 81.5 | Confident | 16 Ų | 16 | 40 Ų | 40 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 153.4 | 169.8 | -58.1 | 174.7 | 0 | 0 | 0 | 109.9 | G148 L150 Y171 I243 P248 Y252 L280 | G148-L246 WeakPolarHBondContact CA-O 3.08Å; G148-L246 WeakPolarHBondContact O-CB 3.26Å; G148-L246 PolarHBondContact O-N 2.83Å; L150-L246 HydrophobicContact CB-CD1 3.55Å; L150-L246 HydrophobicContact CD2-CD1 3.88Å; L150-L246 HydrophobicContact CG-CD1 4.38Å; Y171-L246 HydrophobicContact CD2-CD2 4.14Å; Y171-L246 HydrophobicContact CE2-CD2 3.48Å; Y171-L246 VanDerWaalsContact CE2-CD2 3.48Å; I243-L246 HydrophobicContact CG2-CD1 4.33Å; I243-L246 HydrophobicContact CG2-CG 4.36Å; L246-P248 WeakPolarHBondContact O-CD 3.24Å; L246-Y252 HydrophobicContact CB-CE2 4.24Å; L246-Y252 HydrophobicContact CD2-CD1 4.44Å; L246-Y252 HydrophobicContact CD2-CE1 4.04Å; L246-L280 HydrophobicContact CB-CD1 3.77Å; L246-L280 HydrophobicContact CD1-CD1 3.83Å; L246-L280 HydrophobicContact CG-CD1 4.46Å |
| 247 | Q | 88.6 | Confident | 84.2 | Confident | 131 Ų | 131 | 38.9 Ų | 38.9 | 61% | 0.612 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -71.1 | 122.3 | 173.5 | -65.5 | -173.7 | -21.1 | 0 | 0 | 110 | N250 Y252 | Q247-N250 PolarHBondContact OE1-ND2 2.86Å; Q247-N250 VanDerWaalsContact OE1-ND2 3.11Å; Q247-Y252 WeakPolarHBondContact CB-OH 3.31Å; Q247-Y252 PolarHBondContact N-OH 2.87Å; Q247-Y252 PolarHBondContact O-OH 2.98Å |
| 248 | P | 90.2 | Very high | 85.6 | Confident | 48 Ų | 48 | 36.7 Ų | 36.7 | 31% | 0.312 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 151.8 | 174.6 | -18.5 | 30.7 | 0 | 0 | 0 | 112 | P147 L246 N250 P281 D283 | P147-P248 HydrophobicContact CB-CB 4.22Å; P147-P248 HydrophobicContact CB-CG 3.88Å; L246-P248 WeakPolarHBondContact O-CD 3.24Å; P248-N250 VanDerWaalsContact C-N 3.26Å; P248-N250 PolarHBondContact O-N 2.82Å; P248-P281 WeakPolarHBondContact CB-O 3.39Å; P248-D283 HydrophobicContact CB-CB 4.12Å; P248-D283 HydrophobicContact CG-CB 4.18Å |
| 249 | G | 88.1 | Confident | 86.8 | Confident | 44 Ų | 44 | 38 Ų | 38 | 45% | 0.454 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 0.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L280 P281 | G249-L280 CarbonylContact C-O 3.53Å; G249-L280 WeakPolarHBondContact CA-O 3.12Å; G249-L280 PolarHBondContact N-O 2.98Å; G249-P281 PolarHBondContact N-O 2.89Å |
| 250 | N | 88.3 | Confident | 87.5 | Confident | 66 Ų | 66 | 37.5 Ų | 37.5 | 35% | 0.353 | 23% | 0.227 | S | C | . | . | trans | -105.7 | 155.1 | 179.7 | -72.4 | -20.2 | 0 | 0 | 0 | 111.8 | Q247 P248 Y252 L280 | Q247-N250 PolarHBondContact OE1-ND2 2.86Å; Q247-N250 VanDerWaalsContact OE1-ND2 3.11Å; P248-N250 VanDerWaalsContact C-N 3.26Å; P248-N250 PolarHBondContact O-N 2.82Å; N250-Y252 HydrophobicContact CB-CE2 3.74Å; N250-Y252 WeakPolarHBondContact O-CD2 3.07Å; N250-L280 WeakPolarHBondContact O-CB 3.36Å; N250-L280 PolarHBondContact O-N 2.96Å | ||
| 251 | S | 89.8 | Confident | 87.8 | Confident | 31 Ų | 31 | 37.7 Ų | 37.7 | 22% | 0.217 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.1 | 173.9 | -54 | 0 | 0 | 0 | 0 | 111.6 | K174 V278 D279 | K174-S251 WeakPolarHBondContact CB-O 3.18Å; K174-S251 PolarHBondContact N-O 2.99Å; S251-V278 CarbonylContact C-O 3.5Å; S251-V278 WeakPolarHBondContact CA-O 2.99Å; S251-D279 WeakPolarHBondContact CB-OD1 3.45Å; S251-D279 PolarHBondContact OG-OD1 2.96Å |
| 252 | Y | 89.2 | Confident | 88 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 149.6 | 178.7 | -64.2 | -96 | 0 | 0 | 0 | 111.1 | G172 P173 L246 Q247 N250 T277 V278 L280 | G172-Y252 CarbonylContact O-C 3.58Å; G172-Y252 VanDerWaalsContact O-CA 3.26Å; G172-Y252 WeakPolarHBondContact O-CA 3.28Å; P173-Y252 HydrophobicContact CB-CE1 4.48Å; L246-Y252 HydrophobicContact CB-CE2 4.24Å; L246-Y252 HydrophobicContact CD2-CD1 4.44Å; L246-Y252 HydrophobicContact CD2-CE1 4.04Å; Q247-Y252 WeakPolarHBondContact CB-OH 3.31Å; Q247-Y252 PolarHBondContact N-OH 2.87Å; Q247-Y252 PolarHBondContact O-OH 2.98Å; N250-Y252 HydrophobicContact CB-CE2 3.74Å; N250-Y252 WeakPolarHBondContact O-CD2 3.07Å; Y252-T277 CarbonylContact O-C 3.51Å; Y252-T277 VanDerWaalsContact O-CA 3.26Å; Y252-T277 WeakPolarHBondContact O-CA 3.39Å; Y252-V278 PolarHBondContact N-O 2.98Å; Y252-V278 PolarHBondContact O-N 2.65Å; Y252-L280 HydrophobicContact CD2-CD1 3.75Å; Y252-L280 HydrophobicContact CD2-CG 4.04Å; Y252-L280 HydrophobicContact CE2-CD1 3.59Å; Y252-L280 HydrophobicContact CE2-CG 4.22Å |
| 253 | W | 90.8 | Very high | 88.2 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 21% | 0.208 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 149.5 | 166.3 | 69.4 | -92 | 0 | 0 | 0 | 109.7 | R170 Y171 G172 P173 T183 Q255 V276 T277 | R170-W253 HydrophobicContact CG-CH2 4.08Å; R170-W253 HydrophobicContact CG-CZ3 3.83Å; Y171-W253 CarbonylContact C-O 3.48Å; Y171-W253 WeakPolarHBondContact CA-O 3.2Å; Y171-W253 WeakPolarHBondContact CB-O 3.21Å; G172-W253 PolarHBondContact N-O 2.81Å; G172-W253 PolarHBondContact O-N 2.8Å; P173-W253 PolarHBondContact O-NE1 3.43Å; T183-W253 HydrophobicContact CG2-CH2 3.78Å; T183-W253 HydrophobicContact CG2-CZ2 3.81Å; W253-Q255 HydrophobicContact CE3-CG 4.38Å; W253-Q255 HydrophobicContact CZ3-CG 4.23Å; W253-Q255 VanDerWaalsContact CZ3-OE1 3.27Å; W253-V276 CarbonylContact C-O 3.57Å; W253-V276 VanDerWaalsContact CA-O 3.26Å; W253-V276 WeakPolarHBondContact CA-O 3.41Å; W253-T277 HydrophobicContact CB-CG2 4.21Å |
| 254 | L | 91.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 150.8 | 179.1 | 60.3 | 94.7 | 0 | 0 | 0 | 112.8 | I139 A141 L150 I152 L169 R170 L256 P275 V276 V278 | I139-L254 HydrophobicContact CG2-CD1 3.63Å; A141-L254 HydrophobicContact CB-CD2 3.68Å; L150-L254 HydrophobicContact CD2-CD2 3.9Å; I152-L254 HydrophobicContact CG2-CD2 3.96Å; L169-L254 HydrophobicContact CD1-CB 4.21Å; R170-L254 CarbonylContact O-C 3.44Å; R170-L254 VanDerWaalsContact O-CA 3.26Å; R170-L254 WeakPolarHBondContact O-CA 3.48Å; L254-L256 HydrophobicContact CD1-CD1 4.04Å; L254-P275 WeakPolarHBondContact O-CA 3.24Å; L254-V276 HydrophobicContact CD1-CB 3.95Å; L254-V276 HydrophobicContact CG-CB 4.22Å; L254-V276 PolarHBondContact N-O 3.09Å; L254-V276 PolarHBondContact O-N 3.35Å; L254-V278 HydrophobicContact CD2-CG1 4.34Å |
| 255 | Q | 91.6 | Very high | 88.5 | Confident | 25 Ų | 25 | 42 Ų | 42 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 145.4 | 174.8 | -70.2 | 173.9 | -71.6 | 0 | 0 | 109.9 | R170 W253 W272 S273 P275 | R170-Q255 HydrophobicContact CG-CB 3.82Å; R170-Q255 PolarHBondContact N-O 2.97Å; R170-Q255 PolarHBondContact O-N 3.4Å; W253-Q255 HydrophobicContact CE3-CG 4.38Å; W253-Q255 HydrophobicContact CZ3-CG 4.23Å; W253-Q255 VanDerWaalsContact CZ3-OE1 3.27Å; Q255-W272 HydrophobicContact CB-CE3 3.85Å; Q255-W272 WeakPolarHBondContact O-CZ3 3.34Å; Q255-S273 WeakPolarHBondContact CA-OG 3.49Å; Q255-S273 WeakPolarHBondContact CG-O 3.2Å; Q255-S273 PolarHBondContact NE2-O 2.81Å; Q255-P275 VanDerWaalsContact CG-CA 3.5Å; Q255-P275 HydrophobicContact CG-CB 3.91Å |
| 256 | L | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 150.5 | 175.3 | -81.5 | 76.9 | 0 | 0 | 0 | 110.2 | P136 I139 I152 W154 E168 L169 I188 L254 S273 | P136-L256 HydrophobicContact CB-CB 4.49Å; P136-L256 HydrophobicContact CG-CB 4.05Å; I139-L256 HydrophobicContact CD1-CB 4.16Å; I139-L256 HydrophobicContact CD1-CD1 4.19Å; I139-L256 HydrophobicContact CG2-CD1 4.18Å; I152-L256 HydrophobicContact CD1-CD1 4.45Å; W154-L256 HydrophobicContact CB-CD2 4.31Å; W154-L256 HydrophobicContact CD2-CD2 3.54Å; W154-L256 HydrophobicContact CE3-CD2 3.66Å; W154-L256 HydrophobicContact CG-CD2 3.84Å; W154-L256 HydrophobicContact CZ3-CD2 4.22Å; E168-L256 WeakPolarHBondContact O-CA 3.37Å; L169-L256 HydrophobicContact CD1-CD1 3.41Å; L169-L256 VanDerWaalsContact CD1-CD1 3.41Å; L169-L256 HydrophobicContact CD1-CG 4.03Å; I188-L256 HydrophobicContact CD1-CD2 4.04Å; I188-L256 HydrophobicContact CD1-CG 4.45Å; L254-L256 HydrophobicContact CD1-CD1 4.04Å; L256-S273 PolarHBondContact N-OG 2.82Å; L256-S273 VanDerWaalsContact O-CB 3.31Å; L256-S273 WeakPolarHBondContact O-CB 2.84Å; L256-S273 PolarHBondContact O-N 3.35Å; L256-S273 PolarHBondContact O-OG 3.07Å |
| 257 | R | 90.5 | Very high | 89.1 | Confident | 44 Ų | 44 | 40.2 Ų | 40.2 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 165.8 | 164.3 | 63.1 | 173.6 | 177.7 | 165.3 | 5.8 | 109.9 | Y167 E168 W269 S271 W272 | Y167-R257 WeakPolarHBondContact CA-O 3.48Å; E168-R257 HydrophobicContact CB-CG 4.04Å; E168-R257 PolarHBondContact N-O 2.87Å; E168-R257 PolarHBondContact O-N 2.93Å; E168-R257 IonicContact OE1-NH2 2.92Å; E168-R257 PolarHBondContact OE1-NH2 2.91Å; E168-R257 IonicContact OE2-CZ 3.25Å; E168-R257 IonicContact OE2-NE 3.72Å; E168-R257 PolarHBondContact OE2-NE 2.84Å; E168-R257 IonicContact OE2-NH2 3.95Å; E168-R257 PolarHBondContact OE2-NH2 2.8Å; R257-W269 HydrophobicContact CB-CE3 4.47Å; R257-W269 HydrophobicContact CG-CE3 3.59Å; R257-W269 HydrophobicContact CG-CZ3 4.01Å; R257-W269 VanDerWaalsContact NH1-CB 3.34Å; R257-S271 WeakPolarHBondContact CB-O 3.29Å; R257-W272 HydrophobicContact CB-CD2 4.12Å; R257-W272 HydrophobicContact CB-CE3 3.9Å; R257-W272 HydrophobicContact CB-CZ3 4.23Å; R257-W272 VanDerWaalsContact CD-CE2 3.49Å; R257-W272 HydrophobicContact CG-CD2 3.99Å; R257-W272 HydrophobicContact CG-CE3 3.78Å; R257-W272 HydrophobicContact CG-CH2 3.79Å; R257-W272 HydrophobicContact CG-CZ2 3.99Å; R257-W272 HydrophobicContact CG-CZ3 3.67Å |
| 258 | S | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 152 | -178.5 | 42.4 | 0 | 0 | 0 | 0 | 111.5 | A134 R166 G270 | A134-S258 PolarHBondContact O-OG 2.9Å; A134-S258 VanDerWaalsContact O-OG 3.08Å; R166-S258 CarbonylContact O-C 3.55Å; R166-S258 WeakPolarHBondContact O-CA 3.32Å; S258-G270 PolarHBondContact O-N 3.08Å |
| 259 | E | 90.3 | Very high | 89.2 | Confident | 46 Ų | 46 | 35.7 Ų | 35.7 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 146.9 | 172.1 | -174.4 | 179 | -133.2 | 0 | 0 | 108.7 | R166 W269 | R166-E259 PolarHBondContact N-O 3.26Å; R166-E259 PolarHBondContact O-N 3.11Å; E259-W269 HydrophobicContact CB-CD2 3.63Å; E259-W269 HydrophobicContact CB-CE3 3.49Å; E259-W269 VanDerWaalsContact CB-CE3 3.49Å; E259-W269 HydrophobicContact CB-CG 4.24Å; E259-W269 HydrophobicContact CB-CH2 3.83Å; E259-W269 HydrophobicContact CB-CZ2 3.97Å; E259-W269 HydrophobicContact CB-CZ3 3.6Å; E259-W269 VanDerWaalsContact CD-CE2 3.5Å; E259-W269 VanDerWaalsContact CD-NE1 3.31Å; E259-W269 HydrophobicContact CG-CD2 4.23Å; E259-W269 HydrophobicContact CG-CG 4.44Å; E259-W269 PolarHBondContact OE1-NE1 3.37Å; E259-W269 WeakPolarHBondContact OE2-CZ2 3.14Å; E259-W269 PolarHBondContact OE2-NE1 3.15Å; E259-W269 VanDerWaalsContact OE2-NE1 3.09Å |
| 260 | P | 90.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 149.5 | 167.1 | -22.9 | 36.4 | 0 | 0 | 0 | 111.9 | F45 P133 F164 G262 L265 | F45-P260 HydrophobicContact CE2-CG 4.2Å; F45-P260 HydrophobicContact CZ-CB 4.17Å; F45-P260 HydrophobicContact CZ-CG 3.74Å; P133-P260 HydrophobicContact CG-CG 3.98Å; F164-P260 CarbonylContact O-C 3.57Å; P260-G262 PolarHBondContact O-N 2Å; P260-G262 VanDerWaalsContact O-N 3.08Å; P260-L265 HydrophobicContact CB-CB 3.99Å; P260-L265 WeakPolarHBondContact CB-O 3.28Å |
| 261 | D | 85.3 | Confident | 89.3 | Confident | 21 Ų | 21 | 31.3 Ų | 31.3 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | trans | -62.7 | -16.8 | -176.1 | 66.9 | -1.7 | 0 | 0 | 0 | 114.9 | F164 R166 I263 S264 L265 | F164-D261 WeakPolarHBondContact O-CB 3.05Å; F164-D261 PolarHBondContact O-N 3.27Å; R166-D261 HydrophobicContact CG-CB 4.41Å; R166-D261 PolarHBondContact NH1-O 3.08Å; R166-D261 PolarHBondContact NH2-O 3.02Å; D261-I263 PolarHBondContact O-N 3.4Å; D261-I263 PolarHBondContact OD1-N 3.03Å; D261-S264 PolarHBondContact OD1-N 3.43Å; D261-S264 PolarHBondContact OD2-N 3.06Å; D261-S264 PolarHBondContact OD2-OG 2.8Å; D261-L265 PolarHBondContact OD1-N 3.24Å; D261-L265 VanDerWaalsContact OD1-N 3.1Å | ||
| 262 | G | 85.4 | Confident | 89.3 | Confident | 61 Ų | 61 | 32 Ų | 32 | 63% | 0.629 | 19% | 0.189 | S | C | * | . | S | Bend | trans | 70.7 | 5.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P260 L265 | P260-G262 PolarHBondContact O-N 2Å; P260-G262 VanDerWaalsContact O-N 3.08Å; G262-L265 VanDerWaalsContact CA-O 3.24Å; G262-L265 WeakPolarHBondContact CA-O 3.35Å; G262-L265 PolarHBondContact N-O 3.43Å |
| 263 | I | 84.5 | Confident | 89.4 | Confident | 135 Ų | 135 | 31.6 Ų | 31.6 | 69% | 0.692 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -105.7 | -55.3 | 178.8 | -55.9 | 173.5 | 0 | 0 | 0 | 109 | D261 | D261-I263 PolarHBondContact O-N 3.4Å; D261-I263 PolarHBondContact OD1-N 3.03Å |
| 264 | S | 85.9 | Confident | 89.3 | Confident | 49 Ų | 49 | 36 Ų | 36 | 34% | 0.343 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -96.9 | -39.7 | -179.4 | -46.3 | 0 | 0 | 0 | 0 | 110.5 | F164 D261 | F164-S264 VanDerWaalsContact CD1-CB 3.41Å; F164-S264 WeakPolarHBondContact CD1-OG 3.11Å; F164-S264 WeakPolarHBondContact CE1-OG 3.32Å; D261-S264 PolarHBondContact OD1-N 3.43Å; D261-S264 PolarHBondContact OD2-N 3.06Å; D261-S264 PolarHBondContact OD2-OG 2.8Å |
| 265 | L | 90 | Very high | 89.2 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -129.9 | 132.1 | -179.6 | -62.7 | 175.3 | 0 | 0 | 0 | 108.8 | F45 D128 I161 F164 P260 D261 G262 | F45-L265 HydrophobicContact CD1-CD1 4.5Å; F45-L265 HydrophobicContact CD1-CD2 3.88Å; F45-L265 HydrophobicContact CD2-CD1 3.73Å; F45-L265 HydrophobicContact CE1-CB 3.99Å; F45-L265 HydrophobicContact CE1-CD1 4.46Å; F45-L265 HydrophobicContact CE1-CD2 3.98Å; F45-L265 HydrophobicContact CE1-CG 4.36Å; F45-L265 HydrophobicContact CE2-CB 4.14Å; F45-L265 HydrophobicContact CE2-CD1 3.69Å; F45-L265 HydrophobicContact CE2-CG 4.37Å; F45-L265 HydrophobicContact CG-CD1 4.12Å; F45-L265 HydrophobicContact CG-CD2 4.14Å; F45-L265 HydrophobicContact CZ-CB 3.66Å; F45-L265 HydrophobicContact CZ-CD1 4.05Å; F45-L265 HydrophobicContact CZ-CD2 4.34Å; F45-L265 HydrophobicContact CZ-CG 4.22Å; D128-L265 HydrophobicContact CB-CD2 4.21Å; I161-L265 HydrophobicContact CB-CD1 4.16Å; I161-L265 HydrophobicContact CG2-CD1 4.12Å; F164-L265 HydrophobicContact CB-CD1 3.79Å; F164-L265 HydrophobicContact CB-CG 4.29Å; F164-L265 HydrophobicContact CD2-CD1 4.01Å; F164-L265 HydrophobicContact CG-CD1 4.11Å; P260-L265 HydrophobicContact CB-CB 3.99Å; P260-L265 WeakPolarHBondContact CB-O 3.28Å; D261-L265 PolarHBondContact OD1-N 3.24Å; D261-L265 VanDerWaalsContact OD1-N 3.1Å; G262-L265 VanDerWaalsContact CA-O 3.24Å; G262-L265 WeakPolarHBondContact CA-O 3.35Å; G262-L265 PolarHBondContact N-O 3.43Å |
| 266 | G | 89.5 | Confident | 89.2 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | trans | -100.6 | 159.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D128 S129 G131 | D128-G266 WeakPolarHBondContact O-CA 3.27Å; D128-G266 PolarHBondContact O-N 3.34Å; S129-G266 CarbonylContact C-O 3.57Å; S129-G266 VanDerWaalsContact C-O 3.3Å; S129-G266 CarbonylContact O-C 3.51Å; G131-G266 PolarHBondContact N-O 2.83Å | ||
| 267 | G | 90 | Very high | 89.2 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 37% | 0.371 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | 162.2 | -154.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G131 | G131-G267 CarbonylContact O-C 3.51Å; G131-G267 WeakPolarHBondContact O-CA 3.36Å |
| 268 | S | 90 | Very high | 89.2 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | trans | -132.8 | 164.2 | -180 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | G131 L132 G270 | G131-S268 PolarHBondContact O-N 2.97Å; L132-S268 WeakPolarHBondContact CD1-OG 3.35Å; S268-G270 PolarHBondContact O-N 2.91Å | ||
| 269 | W | 90.8 | Very high | 89.2 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | trans | -55.3 | 126.2 | 174.6 | -73 | 95.7 | 0 | 0 | 0 | 112.4 | E168 L187 R257 E259 | E168-W269 HydrophobicContact CB-CE3 4.33Å; E168-W269 HydrophobicContact CB-CH2 3.62Å; E168-W269 HydrophobicContact CB-CZ2 4.43Å; E168-W269 HydrophobicContact CB-CZ3 3.55Å; L187-W269 HydrophobicContact CD2-CH2 3.99Å; L187-W269 HydrophobicContact CD2-CZ2 4.16Å; R257-W269 HydrophobicContact CB-CE3 4.47Å; R257-W269 HydrophobicContact CG-CE3 3.59Å; R257-W269 HydrophobicContact CG-CZ3 4.01Å; R257-W269 VanDerWaalsContact NH1-CB 3.34Å; E259-W269 HydrophobicContact CB-CD2 3.63Å; E259-W269 HydrophobicContact CB-CE3 3.49Å; E259-W269 VanDerWaalsContact CB-CE3 3.49Å; E259-W269 HydrophobicContact CB-CG 4.24Å; E259-W269 HydrophobicContact CB-CH2 3.83Å; E259-W269 HydrophobicContact CB-CZ2 3.97Å; E259-W269 HydrophobicContact CB-CZ3 3.6Å; E259-W269 VanDerWaalsContact CD-CE2 3.5Å; E259-W269 VanDerWaalsContact CD-NE1 3.31Å; E259-W269 HydrophobicContact CG-CD2 4.23Å; E259-W269 HydrophobicContact CG-CG 4.44Å; E259-W269 PolarHBondContact OE1-NE1 3.37Å; E259-W269 WeakPolarHBondContact OE2-CZ2 3.14Å; E259-W269 PolarHBondContact OE2-NE1 3.15Å; E259-W269 VanDerWaalsContact OE2-NE1 3.09Å | ||
| 270 | G | 89.2 | Confident | 89.2 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | trans | -64.5 | 175 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P133 S258 S268 | P133-G270 VanDerWaalsContact O-CA 3.31Å; P133-G270 WeakPolarHBondContact O-CA 3.43Å; S258-G270 PolarHBondContact O-N 3.08Å; S268-G270 PolarHBondContact O-N 2.91Å | ||
| 271 | S | 89.8 | Confident | 89.2 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 156.8 | 174 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | Q26 P135 R257 | Q26-S271 VanDerWaalsContact CD-CB 3.49Å; Q26-S271 VanDerWaalsContact NE2-CB 3.32Å; P135-S271 WeakPolarHBondContact CB-O 3.47Å; P135-S271 WeakPolarHBondContact CD-OG 3.19Å; R257-S271 WeakPolarHBondContact CB-O 3.29Å |
| 272 | W | 90.6 | Very high | 89.5 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 139.8 | 170.4 | -70.2 | 97.9 | 0 | 0 | 0 | 110.5 | E168 R170 Q255 R257 | E168-W272 HydrophobicContact CB-CH2 4.44Å; E168-W272 HydrophobicContact CG-CH2 4.2Å; E168-W272 WeakPolarHBondContact O-CZ3 3.35Å; E168-W272 WeakPolarHBondContact OE2-CH2 3.36Å; E168-W272 WeakPolarHBondContact OE2-CZ2 3.35Å; R170-W272 HydrophobicContact CB-CH2 3.7Å; R170-W272 HydrophobicContact CB-CZ2 4.38Å; R170-W272 HydrophobicContact CB-CZ3 3.85Å; R170-W272 HydrophobicContact CG-CD2 4.3Å; R170-W272 HydrophobicContact CG-CE3 3.77Å; R170-W272 HydrophobicContact CG-CH2 3.7Å; R170-W272 HydrophobicContact CG-CZ2 4.24Å; R170-W272 HydrophobicContact CG-CZ3 3.45Å; R170-W272 VanDerWaalsContact CG-CZ3 3.45Å; R170-W272 VanDerWaalsContact CZ-CD2 3.42Å; R170-W272 VanDerWaalsContact NH1-NE1 3.11Å; R170-W272 VanDerWaalsContact NH2-CG 3.34Å; Q255-W272 HydrophobicContact CB-CE3 3.85Å; Q255-W272 WeakPolarHBondContact O-CZ3 3.34Å; R257-W272 HydrophobicContact CB-CD2 4.12Å; R257-W272 HydrophobicContact CB-CE3 3.9Å; R257-W272 HydrophobicContact CB-CZ3 4.23Å; R257-W272 VanDerWaalsContact CD-CE2 3.49Å; R257-W272 HydrophobicContact CG-CD2 3.99Å; R257-W272 HydrophobicContact CG-CE3 3.78Å; R257-W272 HydrophobicContact CG-CH2 3.79Å; R257-W272 HydrophobicContact CG-CZ2 3.99Å; R257-W272 HydrophobicContact CG-CZ3 3.67Å |
| 273 | S | 91.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -59 | 167 | 171 | 74.1 | 0 | 0 | 0 | 0 | 111.6 | I139 Q255 L256 | I139-S273 WeakPolarHBondContact CD1-OG 2.98Å; Q255-S273 WeakPolarHBondContact CA-OG 3.49Å; Q255-S273 WeakPolarHBondContact CG-O 3.2Å; Q255-S273 PolarHBondContact NE2-O 2.81Å; L256-S273 PolarHBondContact N-OG 2.82Å; L256-S273 VanDerWaalsContact O-CB 3.31Å; L256-S273 WeakPolarHBondContact O-CB 2.84Å; L256-S273 PolarHBondContact O-N 3.35Å; L256-S273 PolarHBondContact O-OG 3.07Å |
| 274 | L | 88.8 | Confident | 90.2 | Very high | 149 Ų | 149 | 39.1 Ų | 39.1 | 78% | 0.78 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -61.2 | 144.2 | 167.4 | -64.9 | 174.5 | 0 | 0 | 0 | 110.2 | V276 | L274-V276 PolarHBondContact O-N 3.46Š|
| 275 | P | 89.1 | Confident | 90.5 | Very high | 81 Ų | 81 | 41.8 Ų | 41.8 | 53% | 0.526 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -67.7 | 129.4 | 178.6 | 28.2 | -33.1 | 0 | 0 | 0 | 110.6 | L254 Q255 | L254-P275 WeakPolarHBondContact O-CA 3.24Å; Q255-P275 VanDerWaalsContact CG-CA 3.5Å; Q255-P275 HydrophobicContact CG-CB 3.91Å |
| 276 | V | 90.4 | Very high | 90.5 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.9 | 172.1 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | I139 A141 W253 L254 L274 | I139-V276 HydrophobicContact CB-CG2 4Å; I139-V276 HydrophobicContact CG2-CG2 4.04Å; A141-V276 HydrophobicContact CB-CG1 4Å; W253-V276 CarbonylContact C-O 3.57Å; W253-V276 VanDerWaalsContact CA-O 3.26Å; W253-V276 WeakPolarHBondContact CA-O 3.41Å; L254-V276 HydrophobicContact CD1-CB 3.95Å; L254-V276 HydrophobicContact CG-CB 4.22Å; L254-V276 PolarHBondContact N-O 3.09Å; L254-V276 PolarHBondContact O-N 3.35Å; L274-V276 PolarHBondContact O-N 3.46Å |
| 277 | T | 90.7 | Very high | 90.5 | Very high | 78 Ų | 78 | 45.3 Ų | 45.3 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.6 | 175.6 | 57 | 0 | 0 | 0 | 0 | 110.9 | K174 Y252 W253 | K174-T277 HydrophobicContact CD-CG2 4.44Å; Y252-T277 CarbonylContact O-C 3.51Å; Y252-T277 VanDerWaalsContact O-CA 3.26Å; Y252-T277 WeakPolarHBondContact O-CA 3.39Å; W253-T277 HydrophobicContact CB-CG2 4.21Å |
| 278 | V | 90.1 | Very high | 90.4 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.7 | 177.6 | 62.6 | 0 | 0 | 0 | 0 | 109.2 | A141 L150 S251 Y252 L254 L280 | A141-V278 HydrophobicContact CB-CB 4.03Å; A141-V278 HydrophobicContact CB-CG1 4.47Å; A141-V278 HydrophobicContact CB-CG2 4.39Å; L150-V278 HydrophobicContact CD1-CB 4.32Å; L150-V278 HydrophobicContact CD1-CG1 3.72Å; L150-V278 HydrophobicContact CD1-CG2 4.02Å; L150-V278 HydrophobicContact CD2-CG1 4.18Å; S251-V278 CarbonylContact C-O 3.5Å; S251-V278 WeakPolarHBondContact CA-O 2.99Å; Y252-V278 PolarHBondContact N-O 2.98Å; Y252-V278 PolarHBondContact O-N 2.65Å; L254-V278 HydrophobicContact CD2-CG1 4.34Å; V278-L280 HydrophobicContact CG2-CD2 4.3Å |
| 279 | D | 90.3 | Very high | 90.5 | Very high | 104 Ų | 104 | 45 Ų | 45 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.8 | 174 | -60 | -35.4 | 0 | 0 | 0 | 107.6 | S251 | S251-D279 WeakPolarHBondContact CB-OD1 3.45Å; S251-D279 PolarHBondContact OG-OD1 2.96Å |
| 280 | L | 91 | Very high | 90.6 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 138.1 | 178.3 | -63.4 | -176.5 | 0 | 0 | 0 | 110 | L150 L246 G249 N250 Y252 V278 | L150-L280 HydrophobicContact CB-CD2 4.32Å; L150-L280 HydrophobicContact CD1-CD2 4.37Å; L246-L280 HydrophobicContact CB-CD1 3.77Å; L246-L280 HydrophobicContact CD1-CD1 3.83Å; L246-L280 HydrophobicContact CG-CD1 4.46Å; G249-L280 CarbonylContact C-O 3.53Å; G249-L280 WeakPolarHBondContact CA-O 3.12Å; G249-L280 PolarHBondContact N-O 2.98Å; N250-L280 WeakPolarHBondContact O-CB 3.36Å; N250-L280 PolarHBondContact O-N 2.96Å; Y252-L280 HydrophobicContact CD2-CD1 3.75Å; Y252-L280 HydrophobicContact CD2-CG 4.04Å; Y252-L280 HydrophobicContact CE2-CD1 3.59Å; Y252-L280 HydrophobicContact CE2-CG 4.22Å; V278-L280 HydrophobicContact CG2-CD2 4.3Å |
| 281 | P | 91.3 | Very high | 90.7 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 10% | 0.104 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 150.2 | 173.9 | 27.9 | -33.9 | 0 | 0 | 0 | 110.4 | P248 G249 L365 S377 L379 | P248-P281 WeakPolarHBondContact CB-O 3.39Å; G249-P281 PolarHBondContact N-O 2.89Å; P281-L365 HydrophobicContact CB-CD1 4.45Å; P281-S377 CarbonylContact C-O 3.55Å; P281-S377 WeakPolarHBondContact CA-O 3.48Å; P281-L379 HydrophobicContact CB-CB 3.91Å; P281-L379 HydrophobicContact CG-CB 3.69Å; P281-L379 HydrophobicContact CG-CD2 4.08Å; P281-L379 HydrophobicContact CG-CG 4.47Å |
| 282 | G | 91.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 162.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S377 Y378 L379 | G282-S377 PolarHBondContact N-O 2.91Å; G282-Y378 CarbonylContact O-C 3.54Å; G282-Y378 VanDerWaalsContact O-CA 3.32Å; G282-Y378 WeakPolarHBondContact O-CA 3.34Å; G282-L379 PolarHBondContact O-N 3.43Å |
| 283 | D | 92.6 | Very high | 90.9 | Very high | 57 Ų | 57 | 46.6 Ų | 46.6 | 31% | 0.305 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.5 | 170.6 | -172.9 | -11.5 | 0 | 0 | 0 | 109.5 | P147 P248 V285 A286 | P147-D283 HydrophobicContact CB-CB 4.22Å; P248-D283 HydrophobicContact CB-CB 4.12Å; P248-D283 HydrophobicContact CG-CB 4.18Å; D283-V285 PolarHBondContact O-N 3Å; D283-V285 VanDerWaalsContact O-N 3.12Å; D283-V285 WeakPolarHBondContact OD1-CG2 3.43Å; D283-V285 PolarHBondContact OD1-N 3.3Å; D283-A286 VanDerWaalsContact O-CB 3.24Å; D283-A286 WeakPolarHBondContact O-CB 3.32Å; D283-A286 PolarHBondContact O-N 2.86Å |
| 284 | A | 92.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -66 | -10.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | A286 I287 G288 L289 L379 | A284-A286 PolarHBondContact O-N 2.88Å; A284-I287 HydrophobicContact CB-CD1 4.45Å; A284-I287 HydrophobicContact CB-CG1 4.31Å; A284-I287 WeakPolarHBondContact O-CG1 3.29Å; A284-I287 PolarHBondContact O-N 3.04Å; A284-G288 PolarHBondContact O-N 2.86Å; A284-L289 HydrophobicContact CB-CB 3.7Å; A284-L289 HydrophobicContact CB-CD2 3.48Å; A284-L289 VanDerWaalsContact CB-CD2 3.48Å; A284-L289 HydrophobicContact CB-CG 4.22Å; A284-L289 WeakPolarHBondContact O-CB 3.24Å; A284-L289 PolarHBondContact O-N 3.48Å; A284-L379 WeakPolarHBondContact CB-O 3.5Å; A284-L379 PolarHBondContact N-O 2.98Å |
| 285 | V | 90.6 | Very high | 90.6 | Very high | 105 Ų | 105 | 48.1 Ų | 48.1 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -58.5 | -31.2 | 166.4 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | D283 I287 G288 | D283-V285 PolarHBondContact O-N 3Å; D283-V285 VanDerWaalsContact O-N 3.12Å; D283-V285 WeakPolarHBondContact OD1-CG2 3.43Å; D283-V285 PolarHBondContact OD1-N 3.3Å; V285-I287 VanDerWaalsContact C-N 3.27Å; V285-I287 PolarHBondContact O-N 3.32Å; V285-G288 PolarHBondContact O-N 2.81Å |
| 286 | A | 90.1 | Very high | 90.5 | Very high | 83 Ų | 83 | 46.7 Ų | 46.7 | 69% | 0.686 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -62.9 | -31.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D283 A284 Y378 | D283-A286 VanDerWaalsContact O-CB 3.24Å; D283-A286 WeakPolarHBondContact O-CB 3.32Å; D283-A286 PolarHBondContact O-N 2.86Å; A284-A286 PolarHBondContact O-N 2.88Å; A286-Y378 HydrophobicContact CB-CE1 4.32Å |
| 287 | I | 89.5 | Confident | 90.3 | Very high | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.108 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -94.9 | 7.2 | 175.6 | 63.6 | 169.1 | 0 | 0 | 0 | 112.5 | A284 V285 L289 W303 Q304 V366 Y378 | A284-I287 HydrophobicContact CB-CD1 4.45Å; A284-I287 HydrophobicContact CB-CG1 4.31Å; A284-I287 WeakPolarHBondContact O-CG1 3.29Å; A284-I287 PolarHBondContact O-N 3.04Å; V285-I287 VanDerWaalsContact C-N 3.27Å; V285-I287 PolarHBondContact O-N 3.32Å; I287-L289 VanDerWaalsContact C-N 3.32Å; I287-L289 HydrophobicContact CD1-CB 4.46Å; I287-L289 HydrophobicContact CG1-CB 4.22Å; I287-L289 PolarHBondContact O-N 3.1Å; I287-W303 HydrophobicContact CD1-CB 3.97Å; I287-W303 HydrophobicContact CD1-CG 4.12Å; I287-W303 HydrophobicContact CG1-CB 4.2Å; I287-Q304 PolarHBondContact O-N 3.14Å; I287-V366 HydrophobicContact CD1-CB 3.77Å; I287-V366 HydrophobicContact CD1-CG1 3.81Å; I287-V366 HydrophobicContact CD1-CG2 4.04Å; I287-Y378 HydrophobicContact CD1-CD2 4.44Å; I287-Y378 HydrophobicContact CD1-CG 4.29Å; I287-Y378 HydrophobicContact CG2-CD1 4.07Å; I287-Y378 HydrophobicContact CG2-CD2 4.03Å; I287-Y378 HydrophobicContact CG2-CE1 3.99Å; I287-Y378 HydrophobicContact CG2-CE2 3.95Å; I287-Y378 HydrophobicContact CG2-CG 4.08Å |
| 288 | G | 89.4 | Confident | 90.3 | Very high | 36 Ų | 36 | 51 Ų | 51 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 32.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A284 V285 Q290 | A284-G288 PolarHBondContact O-N 2.86Å; V285-G288 PolarHBondContact O-N 2.81Å; G288-Q290 PolarHBondContact O-N 3.02Å |
| 289 | L | 92.1 | Very high | 90.4 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 15% | 0.152 | 29% | 0.286 | C | S | . | . | trans | -59.8 | 125.1 | 178.8 | -178.2 | 69.2 | 0 | 0 | 0 | 110.7 | A284 I287 C301 Q302 W303 I364 V366 | A284-L289 HydrophobicContact CB-CB 3.7Å; A284-L289 HydrophobicContact CB-CD2 3.48Å; A284-L289 VanDerWaalsContact CB-CD2 3.48Å; A284-L289 HydrophobicContact CB-CG 4.22Å; A284-L289 WeakPolarHBondContact O-CB 3.24Å; A284-L289 PolarHBondContact O-N 3.48Å; I287-L289 VanDerWaalsContact C-N 3.32Å; I287-L289 HydrophobicContact CD1-CB 4.46Å; I287-L289 HydrophobicContact CG1-CB 4.22Å; I287-L289 PolarHBondContact O-N 3.1Å; L289-C301 HydrophobicContact CD1-CB 4.31Å; L289-Q302 CarbonylContact C-O 2.9Å; L289-Q302 WeakPolarHBondContact CA-O 3.36Å; L289-W303 HydrophobicContact CB-CB 4.42Å; L289-W303 HydrophobicContact CD1-CB 4.05Å; L289-W303 HydrophobicContact CD1-CD2 4.27Å; L289-W303 HydrophobicContact CD1-CE3 3.58Å; L289-W303 HydrophobicContact CD1-CZ3 4.39Å; L289-I364 HydrophobicContact CD2-CB 4.43Å; L289-I364 HydrophobicContact CD2-CG2 3.96Å; L289-V366 HydrophobicContact CD1-CG2 4.11Å; L289-V366 HydrophobicContact CD2-CG2 4.41Å | ||
| 290 | Q | 91.9 | Very high | 90.5 | Very high | 114 Ų | 114 | 47.3 Ų | 47.3 | 53% | 0.533 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 126 | 176 | -67.3 | 174.8 | 14.4 | 0 | 0 | 109.6 | G288 C301 Q302 | G288-Q290 PolarHBondContact O-N 3.02Å; Q290-C301 CarbonylContact O-C 3.55Å; Q290-C301 WeakPolarHBondContact O-CA 3.48Å; Q290-Q302 HydrophobicContact CB-CG 4.03Å; Q290-Q302 PolarHBondContact N-O 3.32Å; Q290-Q302 PolarHBondContact O-N 3.02Å |
| 291 | C | 92.4 | Very high | 90.6 | Very high | 24 Ų | 24 | 47 Ų | 47 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.9 | 178.2 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | V299 T300 C301 I364 F383 | C291-V299 HydrophobicContact CB-CG1 4.37Å; C291-T300 WeakPolarHBondContact CA-O 3.13Å; C291-C301 HydrophobicContact CB-CB 4.22Å; C291-C301 WeakPolarHBondContact CB-SG 3.44Å; C291-C301 WeakPolarHBondContact SG-CB 3.44Å; C291-C301 CovalentContact SG-SG 2.04Å; C291-C301 PolarHBondContact SG-SG 3.03Å; C291-I364 HydrophobicContact CB-CD1 4.19Å; C291-I364 WeakPolarHBondContact SG-CD1 3.27Å; C291-F383 HydrophobicContact CB-CE1 3.83Å; C291-F383 HydrophobicContact CB-CE2 4.4Å; C291-F383 HydrophobicContact CB-CZ 3.52Å |
| 292 | F | 92.3 | Very high | 90.6 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 159.9 | 178.7 | 57.2 | -89.5 | 0 | 0 | 0 | 111.6 | L294 T300 Q302 A388 R390 P473 | F292-L294 HydrophobicContact CD2-CD2 4.38Å; F292-L294 HydrophobicContact CD2-CG 4.46Å; F292-T300 HydrophobicContact CE2-CG2 4.3Å; F292-T300 HydrophobicContact CZ-CG2 3.93Å; F292-T300 PolarHBondContact N-O 3.06Å; F292-T300 PolarHBondContact O-N 2.96Å; F292-Q302 HydrophobicContact CE1-CG 4.3Å; F292-A388 CarbonylContact C-O 3.57Å; F292-A388 WeakPolarHBondContact CA-O 3.43Å; F292-A388 WeakPolarHBondContact CB-O 3.4Å; F292-R390 HydrophobicContact CB-CB 3.76Å; F292-R390 HydrophobicContact CD2-CB 4.06Å; F292-R390 HydrophobicContact CG-CB 4.09Å; F292-P473 HydrophobicContact CB-CG 4.2Å |
| 293 | T | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.7 | 170.5 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | D295 L296 N298 I385 A388 V389 R390 | T293-D295 PolarHBondContact OG1-N 3.2Å; T293-D295 PolarHBondContact OG1-OD1 3.4Å; T293-L296 HydrophobicContact CG2-CD2 4.26Å; T293-L296 WeakPolarHBondContact OG1-CA 3.49Å; T293-L296 PolarHBondContact OG1-N 2.73Å; T293-N298 VanDerWaalsContact CB-O 3.25Å; T293-N298 WeakPolarHBondContact CB-O 3.46Å; T293-N298 PolarHBondContact OG1-O 3.4Å; T293-I385 HydrophobicContact CG2-CD1 4.42Å; T293-I385 HydrophobicContact CG2-CG1 3.78Å; T293-A388 PolarHBondContact N-O 2.84Å; T293-V389 HydrophobicContact CG2-CB 4.46Å; T293-V389 HydrophobicContact CG2-CG2 4.02Å; T293-V389 WeakPolarHBondContact O-CA 3.33Å; T293-R390 PolarHBondContact O-N 3.11Å |
| 294 | L | 88 | Confident | 90.4 | Very high | 109 Ų | 109 | 50.3 Ų | 50.3 | 57% | 0.571 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -99.7 | -22.8 | 174.6 | -61.4 | 177.7 | 0 | 0 | 0 | 112 | F292 R390 | F292-L294 HydrophobicContact CD2-CD2 4.38Å; F292-L294 HydrophobicContact CD2-CG 4.46Å; L294-R390 HydrophobicContact CD2-CB 4.1Å; L294-R390 VanDerWaalsContact CD2-O 3.24Å; L294-R390 WeakPolarHBondContact CD2-O 3.36Å |
| 295 | D | 86.3 | Confident | 89.9 | Confident | 78 Ų | 78 | 52.4 Ų | 52.4 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -128.7 | 4.3 | -166.5 | 67.4 | -11.3 | 0 | 0 | 0 | 113.7 | T293 K297 N298 | T293-D295 PolarHBondContact OG1-N 3.2Å; T293-D295 PolarHBondContact OG1-OD1 3.4Å; D295-K297 PolarHBondContact O-N 2.68Å; D295-K297 VanDerWaalsContact O-N 3.15Å; D295-K297 PolarHBondContact OD1-N 3.12Å; D295-N298 PolarHBondContact OD1-N 2.85Å |
| 296 | L | 86 | Confident | 89.1 | Confident | 51 Ų | 51 | 54 Ų | 54 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 58.3 | 18.6 | -174.4 | -68.2 | 164.5 | 0 | 0 | 0 | 113.7 | T293 I385 V389 W416 Y470 | T293-L296 HydrophobicContact CG2-CD2 4.26Å; T293-L296 WeakPolarHBondContact OG1-CA 3.49Å; T293-L296 PolarHBondContact OG1-N 2.73Å; L296-I385 HydrophobicContact CD2-CG1 4.34Å; L296-I385 VanDerWaalsContact O-CD1 3.25Å; L296-I385 WeakPolarHBondContact O-CD1 3.3Å; L296-V389 HydrophobicContact CD2-CG2 3.44Å; L296-V389 VanDerWaalsContact CD2-CG2 3.44Å; L296-V389 HydrophobicContact CG-CG2 4.26Å; L296-W416 HydrophobicContact CD1-CH2 4.2Å; L296-W416 HydrophobicContact CD1-CZ2 4.38Å; L296-Y470 HydrophobicContact CD1-CD1 4.42Å; L296-Y470 HydrophobicContact CD1-CE1 3.69Å; L296-Y470 HydrophobicContact CD2-CD1 4.2Å; L296-Y470 HydrophobicContact CD2-CE1 3.94Å; L296-Y470 HydrophobicContact CG-CE1 4.49Å |
| 297 | K | 86.7 | Confident | 88.1 | Confident | 149 Ų | 149 | 56.1 Ų | 56.1 | 65% | 0.648 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -126.1 | -52.3 | 178.7 | -65.8 | 177.8 | -179.2 | 177.8 | 0 | 111.6 | D295 S356 | D295-K297 PolarHBondContact O-N 2.68Å; D295-K297 VanDerWaalsContact O-N 3.15Å; D295-K297 PolarHBondContact OD1-N 3.12Å; K297-S356 PolarHBondContact O-N 3.01Å |
| 298 | N | 90.8 | Very high | 87.1 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.9 | 177.1 | -79.2 | 2.9 | 0 | 0 | 0 | 109.9 | T293 D295 F354 K355 | T293-N298 VanDerWaalsContact CB-O 3.25Å; T293-N298 WeakPolarHBondContact CB-O 3.46Å; T293-N298 PolarHBondContact OG1-O 3.4Å; D295-N298 PolarHBondContact OD1-N 2.85Å; N298-F354 WeakPolarHBondContact CA-O 3.28Å; N298-K355 WeakPolarHBondContact OD1-CG 3.36Å |
| 299 | V | 92.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.5 | 171.3 | -179 | 0 | 0 | 0 | 0 | 107.7 | C291 H353 F354 I362 F383 I385 | C291-V299 HydrophobicContact CB-CG1 4.37Å; V299-H353 VanDerWaalsContact O-CA 3.32Å; V299-H353 WeakPolarHBondContact O-CA 3.34Å; V299-F354 HydrophobicContact CB-CD1 4.39Å; V299-F354 HydrophobicContact CB-CD2 4.36Å; V299-F354 HydrophobicContact CB-CE1 3.93Å; V299-F354 HydrophobicContact CB-CE2 3.87Å; V299-F354 HydrophobicContact CB-CZ 3.64Å; V299-F354 HydrophobicContact CG1-CE1 3.83Å; V299-F354 HydrophobicContact CG1-CE2 4.3Å; V299-F354 HydrophobicContact CG1-CZ 3.59Å; V299-F354 HydrophobicContact CG2-CE2 4.19Å; V299-F354 HydrophobicContact CG2-CZ 4.3Å; V299-F354 PolarHBondContact N-O 2.81Å; V299-F354 PolarHBondContact O-N 3.42Å; V299-I362 HydrophobicContact CG2-CD1 3.89Å; V299-F383 HydrophobicContact CG1-CE2 4.31Å; V299-F383 HydrophobicContact CG1-CZ 4.13Å; V299-I385 HydrophobicContact CG2-CD1 3.9Å; V299-I385 HydrophobicContact CG2-CG1 4.29Å |
| 300 | T | 92.5 | Very high | 86.1 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 23% | 0.233 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.9 | 174 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | C291 F292 C352 | C291-T300 WeakPolarHBondContact CA-O 3.13Å; F292-T300 HydrophobicContact CE2-CG2 4.3Å; F292-T300 HydrophobicContact CZ-CG2 3.93Å; F292-T300 PolarHBondContact N-O 3.06Å; F292-T300 PolarHBondContact O-N 2.96Å; T300-C352 WeakPolarHBondContact CA-O 3.35Å |
| 301 | C | 92.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.1 | 175.8 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | L289 Q290 C291 W303 R351 C352 I364 | L289-C301 HydrophobicContact CD1-CB 4.31Å; Q290-C301 CarbonylContact O-C 3.55Å; Q290-C301 WeakPolarHBondContact O-CA 3.48Å; C291-C301 HydrophobicContact CB-CB 4.22Å; C291-C301 WeakPolarHBondContact CB-SG 3.44Å; C291-C301 WeakPolarHBondContact SG-CB 3.44Å; C291-C301 CovalentContact SG-SG 2.04Å; C291-C301 PolarHBondContact SG-SG 3.03Å; C301-W303 HydrophobicContact CB-CZ3 4.29Å; C301-R351 WeakPolarHBondContact O-CA 3.41Å; C301-C352 PolarHBondContact N-O 3.39Å; C301-C352 PolarHBondContact O-N 2.94Å; C301-I364 WeakPolarHBondContact SG-CD1 3.24Å |
| 302 | Q | 91.9 | Very high | 85.6 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.7 | 179.3 | 66.6 | 179.1 | 42.6 | 0 | 0 | 110.2 | L289 Q290 F292 S350 R351 | L289-Q302 CarbonylContact C-O 2.9Å; L289-Q302 WeakPolarHBondContact CA-O 3.36Å; Q290-Q302 HydrophobicContact CB-CG 4.03Å; Q290-Q302 PolarHBondContact N-O 3.32Å; Q290-Q302 PolarHBondContact O-N 3.02Å; F292-Q302 HydrophobicContact CE1-CG 4.3Å; Q302-S350 VanDerWaalsContact CA-O 3.26Å; Q302-S350 WeakPolarHBondContact CA-O 3.35Å; Q302-R351 HydrophobicContact CB-CG 3.9Å |
| 303 | W | 91.4 | Very high | 85.5 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 160.4 | 175.3 | 58.1 | 92.2 | 0 | 0 | 0 | 110.1 | I287 L289 C301 S311 F349 S350 C352 V366 | I287-W303 HydrophobicContact CD1-CB 3.97Å; I287-W303 HydrophobicContact CD1-CG 4.12Å; I287-W303 HydrophobicContact CG1-CB 4.2Å; L289-W303 HydrophobicContact CB-CB 4.42Å; L289-W303 HydrophobicContact CD1-CB 4.05Å; L289-W303 HydrophobicContact CD1-CD2 4.27Å; L289-W303 HydrophobicContact CD1-CE3 3.58Å; L289-W303 HydrophobicContact CD1-CZ3 4.39Å; C301-W303 HydrophobicContact CB-CZ3 4.29Å; W303-S311 PolarHBondContact NE1-OG 3.27Å; W303-F349 CarbonylContact O-C 3.55Å; W303-F349 WeakPolarHBondContact O-CA 3.17Å; W303-S350 PolarHBondContact N-O 3.24Å; W303-S350 VanDerWaalsContact N-O 3.08Å; W303-S350 PolarHBondContact O-N 2.84Å; W303-C352 HydrophobicContact CH2-CB 3.84Å; W303-C352 HydrophobicContact CZ3-CB 4.06Å; W303-V366 HydrophobicContact CD2-CG1 4.2Å; W303-V366 HydrophobicContact CD2-CG2 4.22Å; W303-V366 HydrophobicContact CE3-CG2 4.21Å; W303-V366 HydrophobicContact CG-CG1 4.45Å; W303-V366 HydrophobicContact CZ2-CG1 4.1Å; W303-V366 HydrophobicContact CZ3-CG2 4.4Å |
| 304 | Q | 88.3 | Confident | 85.4 | Confident | 125 Ų | 125 | 67.1 Ų | 67.1 | 58% | 0.584 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 130.1 | -179.7 | -169.5 | 167.2 | 12.9 | 0 | 0 | 110.2 | I287 F349 | I287-Q304 PolarHBondContact O-N 3.14Å; Q304-F349 HydrophobicContact CB-CD1 4.4Å; Q304-F349 HydrophobicContact CB-CE1 4.36Å |
| 305 | Q | 80.3 | Confident | 85.6 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 125.2 | 176.6 | -177.7 | 155.6 | 70.2 | 0 | 0 | 109.4 | Q348 S350 | Q305-Q348 PolarHBondContact N-O 3.3Å; Q305-S350 VanDerWaalsContact CD-OG 3.3Å; Q305-S350 PolarHBondContact NE2-OG 2.93Å |
| 306 | E | 75.3 | Confident | 85.7 | Confident | 137 Ų | 137 | 60.4 Ų | 60.4 | 64% | 0.64 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 144.9 | 176.4 | -162.5 | 170.4 | -152.9 | 0 | 0 | 110.9 | H308 A309 | E306-H308 PolarHBondContact O-N 2.8Å; E306-A309 HydrophobicContact CB-CB 4.02Å; E306-A309 PolarHBondContact O-N 2.81Å; E306-A309 VanDerWaalsContact O-N 3.15Å |
| 307 | D | 68.8 | Low | 85.7 | Confident | 129 Ų | 129 | 59.4 Ų | 59.4 | 69% | 0.69 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 125.8 | -177.1 | -72.7 | -37.6 | 0 | 0 | 0 | 110.6 | A309 | D307-A309 PolarHBondContact O-N 2.88Š|
| 308 | H | 68.6 | Low | 85.5 | Confident | 172 Ų | 172 | 53.7 Ų | 53.7 | 80% | 0.796 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 9.4 | -178.9 | -45.3 | -41.6 | 0 | 0 | 0 | 115.9 | E306 A371 | E306-H308 PolarHBondContact O-N 2.8Å; H308-A371 HydrophobicContact CB-CB 4.23Å |
| 309 | A | 76.8 | Confident | 84.7 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | trans | -95.1 | 139.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | E306 D307 V368 T369 | E306-A309 HydrophobicContact CB-CB 4.02Å; E306-A309 PolarHBondContact O-N 2.81Å; E306-A309 VanDerWaalsContact O-N 3.15Å; D307-A309 PolarHBondContact O-N 2.88Å; A309-V368 HydrophobicContact CB-CG1 3.86Å; A309-T369 CarbonylContact C-O 3.58Å; A309-T369 WeakPolarHBondContact CA-O 3.38Å | ||
| 310 | R | 83 | Confident | 83.1 | Confident | 175 Ų | 175 | 63.2 Ų | 63.2 | 66% | 0.66 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.1 | 170.2 | -176.1 | 178.2 | 179.6 | -177.2 | -1.8 | 108.2 | T369 | R310-T369 PolarHBondContact N-O 2.96Å; R310-T369 PolarHBondContact O-N 2.87Å |
| 311 | S | 86.3 | Confident | 81.6 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.8 | 176 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | W303 S350 E367 | W303-S311 PolarHBondContact NE1-OG 3.27Å; S311-S350 PolarHBondContact OG-OG 3.04Å; S311-E367 CarbonylContact C-O 3.54Å; S311-E367 VanDerWaalsContact CA-O 3.27Å; S311-E367 WeakPolarHBondContact CA-O 3.44Å |
| 312 | Q | 88.6 | Confident | 79.6 | Confident | 67 Ų | 67 | 75.7 Ų | 75.7 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.6 | 174.1 | -175.4 | 168.5 | -0.1 | 0 | 0 | 109.6 | F314 D333 V366 E367 | Q312-F314 HydrophobicContact CB-CE2 4.23Å; Q312-F314 HydrophobicContact CB-CZ 4.41Å; Q312-F314 HydrophobicContact CG-CE1 4.32Å; Q312-F314 HydrophobicContact CG-CE2 3.93Å; Q312-F314 HydrophobicContact CG-CZ 3.74Å; Q312-D333 PolarHBondContact NE2-OD1 2.81Å; Q312-V366 WeakPolarHBondContact O-CA 3.39Å; Q312-E367 PolarHBondContact N-O 2.83Å; Q312-E367 PolarHBondContact O-N 2.88Å |
| 313 | G | 89.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 139.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | C334 | G313-C334 WeakPolarHBondContact O-CB 3.22Å; G313-C334 PolarHBondContact O-N 3.22Å |
| 314 | F | 90.6 | Very high | 76 | Confident | 26 Ų | 26 | 80 Ų | 80 | 11% | 0.114 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 150.4 | 175.7 | -57.5 | -86.5 | 0 | 0 | 0 | 110.4 | Q312 W331 E332 D333 I364 L365 E367 | Q312-F314 HydrophobicContact CB-CE2 4.23Å; Q312-F314 HydrophobicContact CB-CZ 4.41Å; Q312-F314 HydrophobicContact CG-CE1 4.32Å; Q312-F314 HydrophobicContact CG-CE2 3.93Å; Q312-F314 HydrophobicContact CG-CZ 3.74Å; F314-W331 HydrophobicContact CB-CB 4.1Å; F314-W331 HydrophobicContact CB-CD2 4.32Å; F314-W331 HydrophobicContact CB-CE3 3.76Å; F314-W331 HydrophobicContact CB-CG 4.49Å; F314-W331 HydrophobicContact CD1-CB 4.42Å; F314-E332 WeakPolarHBondContact CA-O 3.19Å; F314-D333 WeakPolarHBondContact CE1-OD1 3.46Å; F314-I364 WeakPolarHBondContact O-CA 3.25Å; F314-L365 HydrophobicContact CB-CB 4.38Å; F314-L365 PolarHBondContact N-O 3.24Å; F314-L365 PolarHBondContact O-N 3.31Å; F314-E367 HydrophobicContact CD2-CG 4.25Å; F314-E367 HydrophobicContact CE2-CB 4.12Å; F314-E367 HydrophobicContact CE2-CG 3.84Å |
| 315 | F | 90.7 | Very high | 74.3 | Confident | 13 Ų | 13 | 83.8 Ų | 83.8 | 6% | 0.057 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.4 | 174.9 | 69.3 | -83.9 | 0 | 0 | 0 | 111.5 | H317 E332 D333 C334 F354 H363 | F315-H317 AromaticContact CD2-CE1 3.69Å; F315-H317 AromaticContact CE2-CE1 3.59Å; F315-H317 AromaticContact CE2-ND1 3.99Å; F315-E332 HydrophobicContact CD1-CB 4.5Å; F315-E332 HydrophobicContact CE1-CB 4.01Å; F315-E332 HydrophobicContact CE2-CB 4Å; F315-E332 HydrophobicContact CZ-CB 3.73Å; F315-E332 PolarHBondContact N-O 3.15Å; F315-E332 PolarHBondContact O-N 2.88Å; F315-D333 WeakPolarHBondContact CE1-O 3.46Å; F315-C334 HydrophobicContact CD1-CB 4.08Å; F315-C334 HydrophobicContact CE1-CB 4.49Å; F315-F354 HydrophobicContact CB-CD1 4.37Å; F315-F354 HydrophobicContact CB-CD2 4.38Å; F315-F354 HydrophobicContact CB-CE1 4.16Å; F315-F354 HydrophobicContact CB-CE2 4.18Å; F315-F354 HydrophobicContact CB-CG 4.47Å; F315-F354 HydrophobicContact CB-CZ 4.06Å; F315-F354 HydrophobicContact CD1-CB 3.72Å; F315-F354 AromaticContact CD1-CD1 3.88Å; F315-F354 HydrophobicContact CD1-CD1 3.88Å; F315-F354 HydrophobicContact CD1-CD2 4.11Å; F315-F354 HydrophobicContact CD1-CE1 4.5Å; F315-F354 AromaticContact CD1-CG 3.64Å; F315-F354 HydrophobicContact CD1-CG 3.64Å; F315-F354 HydrophobicContact CD2-CB 4.34Å; F315-F354 AromaticContact CD2-CD2 3.5Å; F315-F354 HydrophobicContact CD2-CD2 3.5Å; F315-F354 VanDerWaalsContact CD2-CD2 3.5Å; F315-F354 AromaticContact CD2-CE2 3.87Å; F315-F354 HydrophobicContact CD2-CE2 3.87Å; F315-F354 AromaticContact CD2-CG 3.92Å; F315-F354 HydrophobicContact CD2-CG 3.92Å; F315-F354 HydrophobicContact CE1-CB 3.33Å; F315-F354 HydrophobicContact CE1-CD1 4.38Å; F315-F354 HydrophobicContact CE1-CD2 4.31Å; F315-F354 AromaticContact CE1-CG 3.79Å; F315-F354 HydrophobicContact CE1-CG 3.79Å; F315-F354 HydrophobicContact CE2-CB 4.02Å; F315-F354 AromaticContact CE2-CD2 3.75Å; F315-F354 HydrophobicContact CE2-CD2 3.75Å; F315-F354 HydrophobicContact CE2-CG 4.07Å; F315-F354 HydrophobicContact CG-CB 4.22Å; F315-F354 HydrophobicContact CG-CD1 4.02Å; F315-F354 AromaticContact CG-CD2 3.71Å; F315-F354 HydrophobicContact CG-CD2 3.71Å; F315-F354 HydrophobicContact CG-CE1 4.28Å; F315-F354 AromaticContact CG-CE2 4Å; F315-F354 HydrophobicContact CG-CE2 4Å; F315-F354 AromaticContact CG-CG 3.72Å; F315-F354 HydrophobicContact CG-CG 3.72Å; F315-F354 HydrophobicContact CG-CZ 4.26Å; F315-F354 HydrophobicContact CZ-CB 3.51Å; F315-F354 HydrophobicContact CZ-CD2 4.15Å; F315-F354 HydrophobicContact CZ-CG 4.01Å; F315-H363 VanDerWaalsContact CA-O 3.26Å; F315-H363 WeakPolarHBondContact CA-O 3.49Å |
| 316 | Y | 89.1 | Confident | 72.9 | Confident | 34 Ų | 34 | 86 Ų | 86 | 13% | 0.133 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 158.5 | 163.4 | 80.1 | -87.9 | 0 | 0 | 0 | 111.3 | P329 V330 W331 H363 | Y316-P329 HydrophobicContact CD1-CB 3.91Å; Y316-P329 HydrophobicContact CD2-CB 3.95Å; Y316-P329 HydrophobicContact CE1-CB 3.79Å; Y316-P329 HydrophobicContact CE1-CG 4.09Å; Y316-P329 HydrophobicContact CE2-CB 3.83Å; Y316-P329 HydrophobicContact CG-CB 4.01Å; Y316-V330 WeakPolarHBondContact CB-O 3.17Å; Y316-W331 AromaticContact CD1-CD2 3.78Å; Y316-W331 HydrophobicContact CD1-CD2 3.78Å; Y316-W331 AromaticContact CD1-CE2 3.75Å; Y316-W331 AromaticContact CD1-CE3 3.61Å; Y316-W331 HydrophobicContact CD1-CE3 3.61Å; Y316-W331 AromaticContact CD1-CH2 3.4Å; Y316-W331 HydrophobicContact CD1-CH2 3.4Å; Y316-W331 AromaticContact CD1-CZ2 3.59Å; Y316-W331 HydrophobicContact CD1-CZ2 3.59Å; Y316-W331 AromaticContact CD1-CZ3 3.42Å; Y316-W331 HydrophobicContact CD1-CZ3 3.42Å; Y316-W331 VanDerWaalsContact CD1-CZ3 3.42Å; Y316-W331 HydrophobicContact CE1-CD2 4.44Å; Y316-W331 AromaticContact CE1-CE2 3.95Å; Y316-W331 HydrophobicContact CE1-CE3 4.4Å; Y316-W331 AromaticContact CE1-CH2 3.35Å; Y316-W331 HydrophobicContact CE1-CH2 3.35Å; Y316-W331 AromaticContact CE1-CZ2 3.4Å; Y316-W331 HydrophobicContact CE1-CZ2 3.4Å; Y316-W331 VanDerWaalsContact CE1-CZ2 3.4Å; Y316-W331 AromaticContact CE1-CZ3 3.9Å; Y316-W331 HydrophobicContact CE1-CZ3 3.9Å; Y316-H363 HydrophobicContact CD1-CB 3.64Å; Y316-H363 HydrophobicContact CE1-CB 3.21Å; Y316-H363 AromaticContact CE1-CD2 3.96Å; Y316-H363 AromaticContact CE1-CG 3.58Å; Y316-H363 HydrophobicContact CE2-CB 4.31Å; Y316-H363 AromaticContact CE2-CD2 3.5Å; Y316-H363 VanDerWaalsContact CE2-CD2 3.5Å; Y316-H363 WeakPolarHBondContact CE2-CD2 3.38Å; Y316-H363 AromaticContact CE2-CG 3.98Å; Y316-H363 HydrophobicContact CG-CB 4.33Å; Y316-H363 AromaticContact CZ-CD2 3.34Å; Y316-H363 AromaticContact CZ-CG 3.34Å; Y316-H363 AromaticContact CZ-ND1 3.96Å; Y316-H363 AromaticContact CZ-NE2 3.99Å; Y316-H363 PolarHBondContact N-O 3.01Å; Y316-H363 PolarHBondContact O-N 3.23Å; Y316-H363 PolarHBondContact OH-CD2 2.89Å; Y316-H363 VanDerWaalsContact OH-CG 3.28Å; Y316-H363 PolarHBondContact OH-ND1 3.08Å |
| 317 | H | 86.9 | Confident | 72.2 | Confident | 29 Ų | 29 | 89.4 Ų | 89.4 | 13% | 0.134 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.1 | 179.1 | -64.2 | 92.9 | 0 | 0 | 0 | 109.9 | F315 K355 S356 R357 S360 V361 | F315-H317 AromaticContact CD2-CE1 3.69Å; F315-H317 AromaticContact CE2-CE1 3.59Å; F315-H317 AromaticContact CE2-ND1 3.99Å; H317-K355 PolarHBondContact CE1-O 3.04Å; H317-S356 WeakPolarHBondContact NE2-CA 3.34Å; H317-R357 PolarHBondContact NE2-N 2.9Å; H317-S360 PolarHBondContact CD2-OG 2.84Å; H317-V361 WeakPolarHBondContact CA-O 3.09Å |
| 318 | S | 81 | Confident | 72 | Confident | 30 Ų | 30 | 90.3 Ų | 90.3 | 21% | 0.21 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151.1 | 173.1 | 87 | 0 | 0 | 0 | 0 | 110.3 | S360 V361 H363 | S318-S360 CarbonylContact O-C 3.54Å; S318-S360 WeakPolarHBondContact O-CA 3.19Å; S318-S360 WeakPolarHBondContact O-CB 3.27Å; S318-V361 PolarHBondContact N-O 3.43Å; S318-V361 PolarHBondContact O-N 3.46Å; S318-H363 WeakPolarHBondContact CB-NE2 3.34Å; S318-H363 PolarHBondContact OG-NE2 2.74Å |
| 319 | R | 74.3 | Confident | 72.2 | Confident | 181 Ų | 181 | 84 Ų | 84 | 68% | 0.683 | 39% | 0.394 | S | S | * | . | trans | -88.8 | 144.6 | 164.3 | -68 | -174.3 | -178.7 | -178.3 | -0.4 | 106.9 | R321 | R319-R321 VanDerWaalsContact C-N 3.27Å; R319-R321 PolarHBondContact O-N 3.23Å | ||
| 320 | A | 59.6 | Low | 72.5 | Confident | 77 Ų | 77 | 88.8 Ų | 88.8 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | trans | -56.7 | 94.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | W384 | A320-W384 HydrophobicContact CB-CH2 4.11Å; A320-W384 HydrophobicContact CB-CZ2 4.11Å | ||
| 321 | R | 60.3 | Low | 72.7 | Confident | 173 Ų | 173 | 84 Ų | 84 | 65% | 0.653 | 40% | 0.404 | S | S | * | . | trans | -127.8 | 133.4 | 173.1 | -77.2 | -169 | -78.6 | -124.8 | -0.5 | 105.2 | R319 C323 | R319-R321 VanDerWaalsContact C-N 3.27Å; R319-R321 PolarHBondContact O-N 3.23Å; R321-C323 PolarHBondContact O-N 3.5Å | ||
| 322 | C | 50.9 | Low | 72.8 | Confident | 127 Ų | 127 | 87 Ų | 87 | 86% | 0.858 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -58.9 | -21.1 | 179.2 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | C194 | C194-C322 PolarHBondContact SG-O 2.85Š|
| 323 | C | 53 | Low | 72.8 | Confident | 46 Ų | 46 | 88.6 Ų | 88.6 | 31% | 0.311 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -139.1 | 113.9 | -174.5 | -40 | 0 | 0 | 0 | 0 | 111 | C194 R321 | C194-C323 HydrophobicContact CB-CB 3.58Å; C194-C323 WeakPolarHBondContact CB-SG 3.5Å; C194-C323 WeakPolarHBondContact SG-CB 3.44Å; C194-C323 CovalentContact SG-SG 2Å; C194-C323 PolarHBondContact SG-SG 3.32Å; R321-C323 PolarHBondContact O-N 3.5Å |
| 324 | P | 54.7 | Low | 72.8 | Confident | 68 Ų | 68 | 89 Ų | 89 | 44% | 0.442 | 43% | 0.431 | S | S | . | . | trans | -63.4 | 134.2 | 165.6 | -16.6 | 30.4 | 0 | 0 | 0 | 109.2 | Q151 | Q151-P324 PolarHBondContact NE2-O 2.89Å; Q151-P324 VanDerWaalsContact NE2-O 3.15Å | ||
| 325 | R | 53.4 | Low | 72.5 | Confident | 205 Ų | 205 | 93.8 Ų | 93.8 | 77% | 0.774 | 45% | 0.454 | S | S | * | . | trans | -57.5 | 156.9 | 170.7 | -94.8 | -176 | 178.5 | -167.5 | -1.1 | 109.4 | R327 | R325-R327 PolarHBondContact O-N 2.74Š| ||
| 326 | D | 50.8 | Low | 72 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -54.7 | 10.5 | 172.9 | -71.4 | -52.1 | 0 | 0 | 0 | 116.3 | S153 | S153-D326 WeakPolarHBondContact CB-OD1 3.21Å; S153-D326 PolarHBondContact OG-OD1 2.83Å |
| 327 | R | 60.7 | Low | 71.3 | Confident | 209 Ų | 209 | 101.6 Ų | 101.6 | 79% | 0.789 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -99.5 | 122.4 | 178.3 | -145.9 | -179.4 | -120.7 | -157.4 | -1.6 | 108.2 | R325 | R325-R327 PolarHBondContact O-N 2.74Š|
| 328 | Y | 63.6 | Low | 70.1 | Confident | 147 Ų | 147 | 108.4 Ų | 108.4 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | trans | -45.8 | 134.4 | 168.5 | -80.3 | -85.4 | 0 | 0 | 0 | 110.3 | M142 V330 | M142-Y328 HydrophobicContact CB-CE1 4.06Å; M142-Y328 HydrophobicContact CE-CD1 3.81Å; M142-Y328 HydrophobicContact CE-CE1 4.05Å; M142-Y328 HydrophobicContact CE-CG 4.4Å; M142-Y328 HydrophobicContact SD-CE1 4.33Å; Y328-V330 PolarHBondContact O-N 3.29Å | ||
| 329 | P | 73.5 | Confident | 69.1 | Low | 39 Ų | 39 | 114.7 Ų | 114.7 | 25% | 0.253 | 55% | 0.547 | S | S | . | . | trans | -58.5 | 135.5 | 174.5 | 24.6 | -31.7 | 0 | 0 | 0 | 108.7 | Y316 W331 | Y316-P329 HydrophobicContact CD1-CB 3.91Å; Y316-P329 HydrophobicContact CD2-CB 3.95Å; Y316-P329 HydrophobicContact CE1-CB 3.79Å; Y316-P329 HydrophobicContact CE1-CG 4.09Å; Y316-P329 HydrophobicContact CE2-CB 3.83Å; Y316-P329 HydrophobicContact CG-CB 4.01Å; P329-W331 HydrophobicContact CG-CZ2 4.5Å; P329-W331 PolarHBondContact O-N 2.76Å | ||
| 330 | V | 82.6 | Confident | 67.7 | Low | 116 Ų | 116 | 111.5 Ų | 111.5 | 70% | 0.703 | 55% | 0.547 | S | S | * | . | trans | -83.9 | 105.1 | 174.1 | -178.2 | 0 | 0 | 0 | 0 | 106.4 | Y316 Y328 | Y316-V330 WeakPolarHBondContact CB-O 3.17Å; Y328-V330 PolarHBondContact O-N 3.29Å | ||
| 331 | W | 86.1 | Confident | 67.2 | Low | 73 Ų | 73 | 113.9 Ų | 113.9 | 28% | 0.277 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 132.1 | 176.3 | -68.7 | 96.6 | 0 | 0 | 0 | 110 | F314 Y316 P329 H363 L365 L379 | F314-W331 HydrophobicContact CB-CB 4.1Å; F314-W331 HydrophobicContact CB-CD2 4.32Å; F314-W331 HydrophobicContact CB-CE3 3.76Å; F314-W331 HydrophobicContact CB-CG 4.49Å; F314-W331 HydrophobicContact CD1-CB 4.42Å; Y316-W331 AromaticContact CD1-CD2 3.78Å; Y316-W331 HydrophobicContact CD1-CD2 3.78Å; Y316-W331 AromaticContact CD1-CE2 3.75Å; Y316-W331 AromaticContact CD1-CE3 3.61Å; Y316-W331 HydrophobicContact CD1-CE3 3.61Å; Y316-W331 AromaticContact CD1-CH2 3.4Å; Y316-W331 HydrophobicContact CD1-CH2 3.4Å; Y316-W331 AromaticContact CD1-CZ2 3.59Å; Y316-W331 HydrophobicContact CD1-CZ2 3.59Å; Y316-W331 AromaticContact CD1-CZ3 3.42Å; Y316-W331 HydrophobicContact CD1-CZ3 3.42Å; Y316-W331 VanDerWaalsContact CD1-CZ3 3.42Å; Y316-W331 HydrophobicContact CE1-CD2 4.44Å; Y316-W331 AromaticContact CE1-CE2 3.95Å; Y316-W331 HydrophobicContact CE1-CE3 4.4Å; Y316-W331 AromaticContact CE1-CH2 3.35Å; Y316-W331 HydrophobicContact CE1-CH2 3.35Å; Y316-W331 AromaticContact CE1-CZ2 3.4Å; Y316-W331 HydrophobicContact CE1-CZ2 3.4Å; Y316-W331 VanDerWaalsContact CE1-CZ2 3.4Å; Y316-W331 AromaticContact CE1-CZ3 3.9Å; Y316-W331 HydrophobicContact CE1-CZ3 3.9Å; P329-W331 HydrophobicContact CG-CZ2 4.5Å; P329-W331 PolarHBondContact O-N 2.76Å; W331-H363 HydrophobicContact CH2-CB 4.11Å; W331-H363 HydrophobicContact CZ3-CB 4.4Å; W331-L365 HydrophobicContact CD2-CB 4.2Å; W331-L365 HydrophobicContact CD2-CD2 4.15Å; W331-L365 HydrophobicContact CE3-CB 3.76Å; W331-L365 HydrophobicContact CH2-CB 3.42Å; W331-L365 VanDerWaalsContact CH2-CB 3.42Å; W331-L365 HydrophobicContact CH2-CG 4.47Å; W331-L365 HydrophobicContact CZ2-CB 3.86Å; W331-L365 HydrophobicContact CZ2-CD2 4.1Å; W331-L365 HydrophobicContact CZ2-CG 4.48Å; W331-L365 HydrophobicContact CZ3-CB 3.35Å; W331-L379 HydrophobicContact CH2-CD1 3.87Å; W331-L379 HydrophobicContact CZ2-CD1 4.28Å |
| 332 | E | 89.4 | Confident | 66.8 | Low | 72 Ų | 72 | 112.8 Ų | 112.8 | 34% | 0.336 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.4 | 174 | -63.6 | 175.9 | -155.9 | 0 | 0 | 108.5 | F314 F315 R357 | F314-E332 WeakPolarHBondContact CA-O 3.19Å; F315-E332 HydrophobicContact CD1-CB 4.5Å; F315-E332 HydrophobicContact CE1-CB 4.01Å; F315-E332 HydrophobicContact CE2-CB 4Å; F315-E332 HydrophobicContact CZ-CB 3.73Å; F315-E332 PolarHBondContact N-O 3.15Å; F315-E332 PolarHBondContact O-N 2.88Å; E332-R357 IonicContact OE1-CZ 2.74Å; E332-R357 IonicContact OE1-NH2 3.92Å; E332-R357 PolarHBondContact OE1-NH2 3.18Å; E332-R357 IonicContact OE2-NH2 3.52Å |
| 333 | D | 89.1 | Confident | 66.6 | Low | 100 Ų | 100 | 110.1 Ų | 110.1 | 54% | 0.535 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.2 | 131.6 | 175.7 | -71.5 | -70.6 | 0 | 0 | 0 | 110.8 | Q312 F314 F315 | Q312-D333 PolarHBondContact NE2-OD1 2.81Å; F314-D333 WeakPolarHBondContact CE1-OD1 3.46Å; F315-D333 WeakPolarHBondContact CE1-O 3.46Å |
| 334 | C | 88.5 | Confident | 66.4 | Low | 10 Ų | 10 | 114.7 Ų | 114.7 | 7% | 0.068 | 58% | 0.579 | C | S | . | * | P | Polyproline II helix | trans | -79.8 | 136.7 | 174.4 | -159.9 | 0 | 0 | 0 | 0 | 110.5 | G313 F315 E336 C352 H353 | G313-C334 WeakPolarHBondContact O-CB 3.22Å; G313-C334 PolarHBondContact O-N 3.22Å; F315-C334 HydrophobicContact CD1-CB 4.08Å; F315-C334 HydrophobicContact CE1-CB 4.49Å; C334-E336 PolarHBondContact O-N 2.97Å; C334-E336 VanDerWaalsContact O-N 3.1Å; C334-C352 HydrophobicContact CB-CB 3.59Å; C334-C352 WeakPolarHBondContact CB-SG 3.41Å; C334-C352 VanDerWaalsContact SG-C 3.54Å; C334-C352 WeakPolarHBondContact SG-CB 3.5Å; C334-C352 CovalentContact SG-SG 2.03Å; C334-C352 PolarHBondContact SG-SG 3.37Å; C334-H353 PolarHBondContact SG-N 2.9Å; C334-H353 VanDerWaalsContact SG-N 3.45Å |
| 335 | E | 85.4 | Confident | 66.2 | Low | 127 Ų | 127 | 119.7 Ų | 119.7 | 59% | 0.593 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.2 | 109.9 | 178.1 | -63.9 | 175.5 | 176.4 | 0 | 0 | 109 | C352 H353 | E335-C352 CarbonylContact O-C 3.52Å; E335-C352 VanDerWaalsContact O-CA 3.26Å; E335-C352 WeakPolarHBondContact O-CA 3.26Å; E335-H353 WeakPolarHBondContact CB-O 3.49Å; E335-H353 PolarHBondContact N-O 2.76Å; E335-H353 PolarHBondContact O-CE1 2.84Å; E335-H353 PolarHBondContact O-N 3.08Å; E335-H353 PolarHBondContact O-ND1 3.14Å; E335-H353 IonicContact OE2-CD2 2.69Å; E335-H353 IonicContact OE2-NE2 2.79Å; E335-H353 PolarHBondContact OE2-NE2 3.41Å |
| 336 | E | 80.3 | Confident | 66.1 | Low | 92 Ų | 92 | 115.3 Ų | 115.3 | 43% | 0.43 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.4 | 142.2 | 178 | -70.7 | -176.3 | -174.4 | 0 | 0 | 111.2 | C334 E338 | C334-E336 PolarHBondContact O-N 2.97Å; C334-E336 VanDerWaalsContact O-N 3.1Å; E336-E338 PolarHBondContact O-N 2.84Å |
| 337 | E | 72.4 | Confident | 66.5 | Low | 118 Ų | 118 | 113.5 Ų | 113.5 | 55% | 0.551 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 116.4 | 174.6 | -165.9 | 171.2 | -166.5 | 0 | 0 | 109.9 | K339 R351 | E337-K339 PolarHBondContact O-N 2.84Å; E337-R351 HydrophobicContact CB-CB 4.31Å; E337-R351 PolarHBondContact N-O 3.32Å; E337-R351 WeakPolarHBondContact OE2-CB 3.02Å; E337-R351 WeakPolarHBondContact OE2-CD 3.42Å |
| 338 | E | 62.4 | Low | 67 | Low | 173 Ų | 173 | 110.1 Ų | 110.1 | 81% | 0.808 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.4 | 176.7 | -78.6 | -172 | 168.3 | 0 | 0 | 110.5 | E336 T340 | E336-E338 PolarHBondContact O-N 2.84Å; E338-T340 VanDerWaalsContact C-N 3.27Å; E338-T340 PolarHBondContact O-N 3Å; E338-T340 PolarHBondContact O-OG1 3.05Å; E338-T340 VanDerWaalsContact O-OG1 3.09Å |
| 339 | K | 59.8 | Low | 67.8 | Low | 161 Ų | 161 | 107.4 Ų | 107.4 | 70% | 0.7 | 57% | 0.571 | S | S | * | * | trans | -61.9 | 85.2 | 177.8 | -65 | -179.1 | -178 | -179.6 | 0 | 110.5 | E337 N341 P347 | E337-K339 PolarHBondContact O-N 2.84Å; K339-N341 PolarHBondContact O-N 3.45Å; K339-P347 HydrophobicContact CD-CG 4.5Å | ||
| 340 | T | 45.3 | Very low | 68.4 | Low | 114 Ų | 114 | 106.3 Ų | 106.3 | 70% | 0.699 | 56% | 0.564 | S | S | * | * | trans | -78.1 | 108.3 | 175.7 | -1.3 | 0 | 0 | 0 | 0 | 107.3 | E338 | E338-T340 VanDerWaalsContact C-N 3.27Å; E338-T340 PolarHBondContact O-N 3Å; E338-T340 PolarHBondContact O-OG1 3.05Å; E338-T340 VanDerWaalsContact O-OG1 3.09Å | ||
| 341 | N | 49.3 | Very low | 68.7 | Low | 128 Ų | 128 | 105.6 Ų | 105.6 | 68% | 0.684 | 55% | 0.549 | S | S | * | . | trans | 101.1 | 97.7 | 177.5 | -50.7 | -46.6 | 0 | 0 | 0 | 115.6 | K339 G343 | K339-N341 PolarHBondContact O-N 3.45Å; N341-G343 PolarHBondContact O-N 3.19Å | ||
| 342 | P | 51.4 | Low | 68.9 | Low | 150 Ų | 150 | 102.2 Ų | 102.2 | 97% | 0.974 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 7.8 | 172.6 | 28.1 | -33.2 | 0 | 0 | 0 | 114.7 | ||
| 343 | G | 48 | Very low | 69 | Low | 71 Ų | 71 | 101.9 Ų | 101.9 | 73% | 0.732 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -7.2 | -171 | 0 | 0 | 0 | 0 | 0 | 116.6 | N341 | N341-G343 PolarHBondContact O-N 3.19Š|
| 344 | L | 48.3 | Very low | 69.1 | Low | 141 Ų | 141 | 97.4 Ų | 97.4 | 74% | 0.738 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -141.7 | 93.3 | -174.6 | -157.9 | 73.3 | 0 | 0 | 0 | 112.1 | ||
| 345 | Q | 50.9 | Low | 69.2 | Low | 174 Ų | 174 | 104.5 Ų | 104.5 | 81% | 0.813 | 54% | 0.54 | S | S | * | . | trans | 63.8 | 133.3 | 165.4 | -57.8 | 178.2 | 6.7 | 0 | 0 | 115.6 | ||||
| 346 | T | 51 | Low | 69.3 | Low | 112 Ų | 112 | 99.4 Ų | 99.4 | 69% | 0.687 | 52% | 0.519 | S | S | * | . | trans | -54 | 128.5 | 170.3 | 31 | 0 | 0 | 0 | 0 | 109 | Q348 | T346-Q348 PolarHBondContact O-N 2.82Š| ||
| 347 | P | 58.3 | Low | 69.5 | Low | 56 Ų | 56 | 101.7 Ų | 101.7 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | trans | -62.3 | 113.2 | 175.1 | 24.3 | -30.8 | 0 | 0 | 0 | 107.9 | K339 F349 | K339-P347 HydrophobicContact CD-CG 4.5Å; P347-F349 PolarHBondContact O-N 2.04Å; P347-F349 VanDerWaalsContact O-N 3.12Å | ||
| 348 | Q | 72.1 | Confident | 69.6 | Low | 139 Ų | 139 | 103.1 Ų | 103.1 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -61.2 | -16.5 | 174.8 | -73.5 | -179.7 | -11.8 | 0 | 0 | 112.2 | Q305 T346 | Q305-Q348 PolarHBondContact N-O 3.3Å; T346-Q348 PolarHBondContact O-N 2.82Å |
| 349 | F | 79.2 | Confident | 70.3 | Confident | 90 Ų | 90 | 101.7 Ų | 101.7 | 40% | 0.395 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133.8 | -177.5 | -57.8 | -81.7 | 0 | 0 | 0 | 110.6 | W303 Q304 P347 | W303-F349 CarbonylContact O-C 3.55Å; W303-F349 WeakPolarHBondContact O-CA 3.17Å; Q304-F349 HydrophobicContact CB-CD1 4.4Å; Q304-F349 HydrophobicContact CB-CE1 4.36Å; P347-F349 PolarHBondContact O-N 2.04Å; P347-F349 VanDerWaalsContact O-N 3.12Å |
| 350 | S | 86 | Confident | 71.5 | Confident | 16 Ų | 16 | 94.4 Ų | 94.4 | 11% | 0.112 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 143.5 | 164.8 | -62.3 | 0 | 0 | 0 | 0 | 109.5 | Q302 W303 Q305 S311 | Q302-S350 VanDerWaalsContact CA-O 3.26Å; Q302-S350 WeakPolarHBondContact CA-O 3.35Å; W303-S350 PolarHBondContact N-O 3.24Å; W303-S350 VanDerWaalsContact N-O 3.08Å; W303-S350 PolarHBondContact O-N 2.84Å; Q305-S350 VanDerWaalsContact CD-OG 3.3Å; Q305-S350 PolarHBondContact NE2-OG 2.93Å; S311-S350 PolarHBondContact OG-OG 3.04Å |
| 351 | R | 89.4 | Confident | 73.6 | Confident | 100 Ų | 100 | 89.8 Ų | 89.8 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.1 | 178.9 | -75.8 | -168.5 | 160.6 | 114.2 | 1.5 | 110.6 | C301 Q302 E337 | C301-R351 WeakPolarHBondContact O-CA 3.41Å; Q302-R351 HydrophobicContact CB-CG 3.9Å; E337-R351 HydrophobicContact CB-CB 4.31Å; E337-R351 PolarHBondContact N-O 3.32Å; E337-R351 WeakPolarHBondContact OE2-CB 3.02Å; E337-R351 WeakPolarHBondContact OE2-CD 3.42Å |
| 352 | C | 89.5 | Confident | 75.5 | Confident | 3 Ų | 3 | 83.7 Ų | 83.7 | 2% | 0.02 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.6 | 173.3 | 94.9 | 0 | 0 | 0 | 0 | 110.6 | T300 C301 W303 C334 E335 | T300-C352 WeakPolarHBondContact CA-O 3.35Å; C301-C352 PolarHBondContact N-O 3.39Å; C301-C352 PolarHBondContact O-N 2.94Å; W303-C352 HydrophobicContact CH2-CB 3.84Å; W303-C352 HydrophobicContact CZ3-CB 4.06Å; C334-C352 HydrophobicContact CB-CB 3.59Å; C334-C352 WeakPolarHBondContact CB-SG 3.41Å; C334-C352 VanDerWaalsContact SG-C 3.54Å; C334-C352 WeakPolarHBondContact SG-CB 3.5Å; C334-C352 CovalentContact SG-SG 2.03Å; C334-C352 PolarHBondContact SG-SG 3.37Å; E335-C352 CarbonylContact O-C 3.52Å; E335-C352 VanDerWaalsContact O-CA 3.26Å; E335-C352 WeakPolarHBondContact O-CA 3.26Å |
| 353 | H | 91.5 | Very high | 77.4 | Confident | 64 Ų | 64 | 76.7 Ų | 76.7 | 30% | 0.296 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.8 | -178.6 | 58.3 | -73.1 | 0 | 0 | 0 | 111.6 | V299 C334 E335 | V299-H353 VanDerWaalsContact O-CA 3.32Å; V299-H353 WeakPolarHBondContact O-CA 3.34Å; C334-H353 PolarHBondContact SG-N 2.9Å; C334-H353 VanDerWaalsContact SG-N 3.45Å; E335-H353 WeakPolarHBondContact CB-O 3.49Å; E335-H353 PolarHBondContact N-O 2.76Å; E335-H353 PolarHBondContact O-CE1 2.84Å; E335-H353 PolarHBondContact O-N 3.08Å; E335-H353 PolarHBondContact O-ND1 3.14Å; E335-H353 IonicContact OE2-CD2 2.69Å; E335-H353 IonicContact OE2-NE2 2.79Å; E335-H353 PolarHBondContact OE2-NE2 3.41Å |
| 354 | F | 92.3 | Very high | 79.5 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 161.3 | 175.7 | 61.5 | -84.4 | 0 | 0 | 0 | 111.5 | N298 V299 F315 I362 I364 | N298-F354 WeakPolarHBondContact CA-O 3.28Å; V299-F354 HydrophobicContact CB-CD1 4.39Å; V299-F354 HydrophobicContact CB-CD2 4.36Å; V299-F354 HydrophobicContact CB-CE1 3.93Å; V299-F354 HydrophobicContact CB-CE2 3.87Å; V299-F354 HydrophobicContact CB-CZ 3.64Å; V299-F354 HydrophobicContact CG1-CE1 3.83Å; V299-F354 HydrophobicContact CG1-CE2 4.3Å; V299-F354 HydrophobicContact CG1-CZ 3.59Å; V299-F354 HydrophobicContact CG2-CE2 4.19Å; V299-F354 HydrophobicContact CG2-CZ 4.3Å; V299-F354 PolarHBondContact N-O 2.81Å; V299-F354 PolarHBondContact O-N 3.42Å; F315-F354 HydrophobicContact CB-CD1 4.37Å; F315-F354 HydrophobicContact CB-CD2 4.38Å; F315-F354 HydrophobicContact CB-CE1 4.16Å; F315-F354 HydrophobicContact CB-CE2 4.18Å; F315-F354 HydrophobicContact CB-CG 4.47Å; F315-F354 HydrophobicContact CB-CZ 4.06Å; F315-F354 HydrophobicContact CD1-CB 3.72Å; F315-F354 AromaticContact CD1-CD1 3.88Å; F315-F354 HydrophobicContact CD1-CD1 3.88Å; F315-F354 HydrophobicContact CD1-CD2 4.11Å; F315-F354 HydrophobicContact CD1-CE1 4.5Å; F315-F354 AromaticContact CD1-CG 3.64Å; F315-F354 HydrophobicContact CD1-CG 3.64Å; F315-F354 HydrophobicContact CD2-CB 4.34Å; F315-F354 AromaticContact CD2-CD2 3.5Å; F315-F354 HydrophobicContact CD2-CD2 3.5Å; F315-F354 VanDerWaalsContact CD2-CD2 3.5Å; F315-F354 AromaticContact CD2-CE2 3.87Å; F315-F354 HydrophobicContact CD2-CE2 3.87Å; F315-F354 AromaticContact CD2-CG 3.92Å; F315-F354 HydrophobicContact CD2-CG 3.92Å; F315-F354 HydrophobicContact CE1-CB 3.33Å; F315-F354 HydrophobicContact CE1-CD1 4.38Å; F315-F354 HydrophobicContact CE1-CD2 4.31Å; F315-F354 AromaticContact CE1-CG 3.79Å; F315-F354 HydrophobicContact CE1-CG 3.79Å; F315-F354 HydrophobicContact CE2-CB 4.02Å; F315-F354 AromaticContact CE2-CD2 3.75Å; F315-F354 HydrophobicContact CE2-CD2 3.75Å; F315-F354 HydrophobicContact CE2-CG 4.07Å; F315-F354 HydrophobicContact CG-CB 4.22Å; F315-F354 HydrophobicContact CG-CD1 4.02Å; F315-F354 AromaticContact CG-CD2 3.71Å; F315-F354 HydrophobicContact CG-CD2 3.71Å; F315-F354 HydrophobicContact CG-CE1 4.28Å; F315-F354 AromaticContact CG-CE2 4Å; F315-F354 HydrophobicContact CG-CE2 4Å; F315-F354 AromaticContact CG-CG 3.72Å; F315-F354 HydrophobicContact CG-CG 3.72Å; F315-F354 HydrophobicContact CG-CZ 4.26Å; F315-F354 HydrophobicContact CZ-CB 3.51Å; F315-F354 HydrophobicContact CZ-CD2 4.15Å; F315-F354 HydrophobicContact CZ-CG 4.01Å; F354-I362 HydrophobicContact CE2-CD1 4.27Å; F354-I362 HydrophobicContact CE2-CG2 3.7Å; F354-I362 HydrophobicContact CZ-CG2 3.58Å; F354-I364 HydrophobicContact CE1-CD1 4.22Å; F354-I364 HydrophobicContact CZ-CD1 4.08Å |
| 355 | K | 90.6 | Very high | 81.6 | Confident | 158 Ų | 158 | 67.8 Ų | 67.8 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.7 | 176.8 | -75.2 | 174.9 | -176.1 | 175.2 | 0 | 110.6 | N298 H317 | N298-K355 WeakPolarHBondContact OD1-CG 3.36Å; H317-K355 PolarHBondContact CE1-O 3.04Å |
| 356 | S | 87.4 | Confident | 83.5 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 149 | 175.2 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | K297 H317 I362 | K297-S356 PolarHBondContact O-N 3.01Å; H317-S356 WeakPolarHBondContact NE2-CA 3.34Å; S356-I362 WeakPolarHBondContact OG-CD1 3.25Å |
| 357 | R | 85.1 | Confident | 85.5 | Confident | 139 Ų | 139 | 57.4 Ų | 57.4 | 53% | 0.525 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 138.3 | 168.9 | -62 | -177.5 | -172.7 | 161.3 | 12.9 | 110.2 | H317 E332 D359 S360 | H317-R357 PolarHBondContact NE2-N 2.9Å; E332-R357 IonicContact OE1-CZ 2.74Å; E332-R357 IonicContact OE1-NH2 3.92Å; E332-R357 PolarHBondContact OE1-NH2 3.18Å; E332-R357 IonicContact OE2-NH2 3.52Å; R357-D359 PolarHBondContact O-N 3Å; R357-S360 PolarHBondContact O-OG 3.12Å |
| 358 | N | 74.6 | Confident | 86.9 | Confident | 149 Ų | 149 | 55.4 Ų | 55.4 | 80% | 0.797 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 139.4 | 176.4 | -67.2 | 1.6 | 0 | 0 | 0 | 111.1 | S360 | N358-S360 VanDerWaalsContact C-N 3.34Å; N358-S360 PolarHBondContact O-N 3.05Å |
| 359 | D | 76.6 | Confident | 87.7 | Confident | 142 Ų | 142 | 51.2 Ų | 51.2 | 76% | 0.759 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 41.6 | 176.6 | -53.1 | -29.3 | 0 | 0 | 0 | 114.8 | R357 | R357-D359 PolarHBondContact O-N 3Š|
| 360 | S | 84.4 | Confident | 88 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | trans | -128 | 147.5 | 174.3 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | H317 S318 R357 N358 | H317-S360 PolarHBondContact CD2-OG 2.84Å; S318-S360 CarbonylContact O-C 3.54Å; S318-S360 WeakPolarHBondContact O-CA 3.19Å; S318-S360 WeakPolarHBondContact O-CB 3.27Å; R357-S360 PolarHBondContact O-OG 3.12Å; N358-S360 VanDerWaalsContact C-N 3.34Å; N358-S360 PolarHBondContact O-N 3.05Å | ||
| 361 | V | 88.6 | Confident | 87.7 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 133.1 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | H317 S318 P382 W384 | H317-V361 WeakPolarHBondContact CA-O 3.09Å; S318-V361 PolarHBondContact N-O 3.43Å; S318-V361 PolarHBondContact O-N 3.46Å; V361-P382 HydrophobicContact CG1-CB 3.6Å; V361-W384 HydrophobicContact CG2-CD2 4Å; V361-W384 VanDerWaalsContact CG2-CE2 3.49Å; V361-W384 HydrophobicContact CG2-CE3 4.34Å; V361-W384 HydrophobicContact CG2-CH2 3.84Å; V361-W384 HydrophobicContact CG2-CZ2 3.41Å; V361-W384 VanDerWaalsContact CG2-CZ2 3.41Å; V361-W384 HydrophobicContact CG2-CZ3 4.27Å |
| 362 | I | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.4 | -178 | -56.6 | 175 | 0 | 0 | 0 | 108.4 | V299 F354 S356 I364 P382 F383 I385 | V299-I362 HydrophobicContact CG2-CD1 3.89Å; F354-I362 HydrophobicContact CE2-CD1 4.27Å; F354-I362 HydrophobicContact CE2-CG2 3.7Å; F354-I362 HydrophobicContact CZ-CG2 3.58Å; S356-I362 WeakPolarHBondContact OG-CD1 3.25Å; I362-I364 HydrophobicContact CG2-CD1 4.23Å; I362-I364 HydrophobicContact CG2-CG1 4.02Å; I362-P382 WeakPolarHBondContact O-CA 3.41Å; I362-F383 HydrophobicContact CB-CE2 4.33Å; I362-F383 HydrophobicContact CB-CZ 4.32Å; I362-F383 HydrophobicContact CD1-CE2 4.01Å; I362-F383 HydrophobicContact CG2-CE1 4.46Å; I362-F383 HydrophobicContact CG2-CZ 4.1Å; I362-F383 PolarHBondContact N-O 3.27Å; I362-F383 PolarHBondContact O-N 3.28Å; I362-I385 HydrophobicContact CD1-CB 4.3Å |
| 363 | H | 90.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 144.3 | 172.3 | -60 | -95.8 | 0 | 0 | 0 | 109.3 | S145 F315 Y316 S318 W331 | S145-H363 PolarHBondContact O-ND1 3.27Å; F315-H363 VanDerWaalsContact CA-O 3.26Å; F315-H363 WeakPolarHBondContact CA-O 3.49Å; Y316-H363 HydrophobicContact CD1-CB 3.64Å; Y316-H363 HydrophobicContact CE1-CB 3.21Å; Y316-H363 AromaticContact CE1-CD2 3.96Å; Y316-H363 AromaticContact CE1-CG 3.58Å; Y316-H363 HydrophobicContact CE2-CB 4.31Å; Y316-H363 AromaticContact CE2-CD2 3.5Å; Y316-H363 VanDerWaalsContact CE2-CD2 3.5Å; Y316-H363 WeakPolarHBondContact CE2-CD2 3.38Å; Y316-H363 AromaticContact CE2-CG 3.98Å; Y316-H363 HydrophobicContact CG-CB 4.33Å; Y316-H363 AromaticContact CZ-CD2 3.34Å; Y316-H363 AromaticContact CZ-CG 3.34Å; Y316-H363 AromaticContact CZ-ND1 3.96Å; Y316-H363 AromaticContact CZ-NE2 3.99Å; Y316-H363 PolarHBondContact N-O 3.01Å; Y316-H363 PolarHBondContact O-N 3.23Å; Y316-H363 PolarHBondContact OH-CD2 2.89Å; Y316-H363 VanDerWaalsContact OH-CG 3.28Å; Y316-H363 PolarHBondContact OH-ND1 3.08Å; S318-H363 WeakPolarHBondContact CB-NE2 3.34Å; S318-H363 PolarHBondContact OG-NE2 2.74Å; W331-H363 HydrophobicContact CH2-CB 4.11Å; W331-H363 HydrophobicContact CZ3-CB 4.4Å |
| 364 | I | 92.4 | Very high | 86.8 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 129.7 | -172.9 | -56.1 | -175 | 0 | 0 | 0 | 109.1 | L289 C291 C301 F314 F354 I362 V366 G380 F383 | L289-I364 HydrophobicContact CD2-CB 4.43Å; L289-I364 HydrophobicContact CD2-CG2 3.96Å; C291-I364 HydrophobicContact CB-CD1 4.19Å; C291-I364 WeakPolarHBondContact SG-CD1 3.27Å; C301-I364 WeakPolarHBondContact SG-CD1 3.24Å; F314-I364 WeakPolarHBondContact O-CA 3.25Å; F354-I364 HydrophobicContact CE1-CD1 4.22Å; F354-I364 HydrophobicContact CZ-CD1 4.08Å; I362-I364 HydrophobicContact CG2-CD1 4.23Å; I362-I364 HydrophobicContact CG2-CG1 4.02Å; I364-V366 HydrophobicContact CG2-CG2 4.45Å; I364-G380 PolarHBondContact O-N 2.98Å; I364-F383 HydrophobicContact CD1-CE1 3.63Å; I364-F383 HydrophobicContact CD1-CZ 3.77Å; I364-F383 HydrophobicContact CG1-CE1 4.32Å |
| 365 | L | 92.2 | Very high | 86.7 | Confident | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.6 | 177.8 | -179.2 | 73.4 | 0 | 0 | 0 | 107.8 | P281 F314 W331 Y378 L379 | P281-L365 HydrophobicContact CB-CD1 4.45Å; F314-L365 HydrophobicContact CB-CB 4.38Å; F314-L365 PolarHBondContact N-O 3.24Å; F314-L365 PolarHBondContact O-N 3.31Å; W331-L365 HydrophobicContact CD2-CB 4.2Å; W331-L365 HydrophobicContact CD2-CD2 4.15Å; W331-L365 HydrophobicContact CE3-CB 3.76Å; W331-L365 HydrophobicContact CH2-CB 3.42Å; W331-L365 VanDerWaalsContact CH2-CB 3.42Å; W331-L365 HydrophobicContact CH2-CG 4.47Å; W331-L365 HydrophobicContact CZ2-CB 3.86Å; W331-L365 HydrophobicContact CZ2-CD2 4.1Å; W331-L365 HydrophobicContact CZ2-CG 4.48Å; W331-L365 HydrophobicContact CZ3-CB 3.35Å; L365-Y378 CarbonylContact C-O 3.56Å; L365-Y378 WeakPolarHBondContact CA-O 3.36Å; L365-L379 HydrophobicContact CD1-CB 4.44Å; L365-L379 HydrophobicContact CD1-CD1 4.27Å |
| 366 | V | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.5 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 108 | I287 L289 W303 Q312 I364 V368 Y378 | I287-V366 HydrophobicContact CD1-CB 3.77Å; I287-V366 HydrophobicContact CD1-CG1 3.81Å; I287-V366 HydrophobicContact CD1-CG2 4.04Å; L289-V366 HydrophobicContact CD1-CG2 4.11Å; L289-V366 HydrophobicContact CD2-CG2 4.41Å; W303-V366 HydrophobicContact CD2-CG1 4.2Å; W303-V366 HydrophobicContact CD2-CG2 4.22Å; W303-V366 HydrophobicContact CE3-CG2 4.21Å; W303-V366 HydrophobicContact CG-CG1 4.45Å; W303-V366 HydrophobicContact CZ2-CG1 4.1Å; W303-V366 HydrophobicContact CZ3-CG2 4.4Å; Q312-V366 WeakPolarHBondContact O-CA 3.39Å; I364-V366 HydrophobicContact CG2-CG2 4.45Å; V366-V368 HydrophobicContact CG1-CG2 4.13Å; V366-Y378 PolarHBondContact N-O 2.84Å; V366-Y378 PolarHBondContact O-N 2.91Å |
| 367 | E | 91.8 | Very high | 86.8 | Confident | 69 Ų | 69 | 58 Ų | 58 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.4 | 172.2 | -65.5 | -170.1 | 158.8 | 0 | 0 | 109.3 | S311 Q312 F314 V375 H376 | S311-E367 CarbonylContact C-O 3.54Å; S311-E367 VanDerWaalsContact CA-O 3.27Å; S311-E367 WeakPolarHBondContact CA-O 3.44Å; Q312-E367 PolarHBondContact N-O 2.83Å; Q312-E367 PolarHBondContact O-N 2.88Å; F314-E367 HydrophobicContact CD2-CG 4.25Å; F314-E367 HydrophobicContact CE2-CB 4.12Å; F314-E367 HydrophobicContact CE2-CG 3.84Å; E367-V375 HydrophobicContact CB-CG1 4.17Å; E367-H376 CarbonylContact C-O 3.59Å; E367-H376 WeakPolarHBondContact CA-O 3.41Å |
| 368 | V | 89.2 | Confident | 87.2 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.4 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | A309 V366 V375 H376 Y378 | A309-V368 HydrophobicContact CB-CG1 3.86Å; V366-V368 HydrophobicContact CG1-CG2 4.13Å; V368-V375 WeakPolarHBondContact O-CA 3.46Å; V368-H376 PolarHBondContact N-O 3.01Å; V368-H376 PolarHBondContact O-N 2.97Å; V368-Y378 HydrophobicContact CB-CE2 4.23Å; V368-Y378 HydrophobicContact CG2-CD2 4.03Å; V368-Y378 HydrophobicContact CG2-CE2 3.97Å |
| 369 | T | 88.1 | Confident | 88 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 111.4 | 174.9 | -51.3 | 0 | 0 | 0 | 0 | 108.9 | A309 R310 A374 V375 | A309-T369 CarbonylContact C-O 3.58Å; A309-T369 WeakPolarHBondContact CA-O 3.38Å; R310-T369 PolarHBondContact N-O 2.96Å; R310-T369 PolarHBondContact O-N 2.87Å; T369-A374 WeakPolarHBondContact CA-O 3.28Å; T369-V375 HydrophobicContact CG2-CG2 4.2Å |
| 370 | T | 85.6 | Confident | 88.7 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | trans | -67.5 | 162.9 | 176.9 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | L372 G373 A374 | T370-L372 PolarHBondContact O-N 3.26Å; T370-L372 VanDerWaalsContact O-N 3.1Å; T370-G373 WeakPolarHBondContact O-CA 3.37Å; T370-G373 PolarHBondContact O-N 2.85Å; T370-A374 PolarHBondContact N-O 3.23Å; T370-A374 WeakPolarHBondContact OG1-CB 3.31Å; T370-A374 PolarHBondContact OG1-N 3.03Å; T370-A374 VanDerWaalsContact OG1-N 3.14Å; T370-A374 PolarHBondContact OG1-O 2.74Å; T370-A374 VanDerWaalsContact OG1-O 3.04Å | ||
| 371 | A | 80.8 | Confident | 89 | Confident | 84 Ų | 84 | 43.7 Ų | 43.7 | 69% | 0.694 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H308 G373 | H308-A371 HydrophobicContact CB-CB 4.23Å; A371-G373 PolarHBondContact O-N 3.07Å |
| 372 | L | 82.6 | Confident | 89.1 | Confident | 172 Ų | 172 | 44.6 Ų | 44.6 | 90% | 0.901 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -1.9 | 175.4 | -64.8 | 169.9 | 0 | 0 | 0 | 113.1 | T370 A374 | T370-L372 PolarHBondContact O-N 3.26Å; T370-L372 VanDerWaalsContact O-N 3.1Å; L372-A374 VanDerWaalsContact C-N 3.34Å |
| 373 | G | 82.6 | Confident | 89.1 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 52% | 0.515 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 82.6 | 3.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T370 A371 | T370-G373 WeakPolarHBondContact O-CA 3.37Å; T370-G373 PolarHBondContact O-N 2.85Å; A371-G373 PolarHBondContact O-N 3.07Å |
| 374 | A | 86.3 | Confident | 89.1 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 37% | 0.372 | 30% | 0.296 | S | S | . | . | trans | -75.7 | 132 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T369 T370 L372 | T369-A374 WeakPolarHBondContact CA-O 3.28Å; T370-A374 PolarHBondContact N-O 3.23Å; T370-A374 WeakPolarHBondContact OG1-CB 3.31Å; T370-A374 PolarHBondContact OG1-N 3.03Å; T370-A374 VanDerWaalsContact OG1-N 3.14Å; T370-A374 PolarHBondContact OG1-O 2.74Å; T370-A374 VanDerWaalsContact OG1-O 3.04Å; L372-A374 VanDerWaalsContact C-N 3.34Å | ||
| 375 | V | 88.5 | Confident | 89 | Confident | 80 Ų | 80 | 50.3 Ų | 50.3 | 49% | 0.485 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.1 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | E367 V368 T369 | E367-V375 HydrophobicContact CB-CG1 4.17Å; V368-V375 WeakPolarHBondContact O-CA 3.46Å; T369-V375 HydrophobicContact CG2-CG2 4.2Å |
| 376 | H | 89.6 | Confident | 88.8 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 42% | 0.421 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.3 | 173.6 | -64.1 | -69.8 | 0 | 0 | 0 | 109.6 | E367 V368 Y378 | E367-H376 CarbonylContact C-O 3.59Å; E367-H376 WeakPolarHBondContact CA-O 3.41Å; V368-H376 PolarHBondContact N-O 3.01Å; V368-H376 PolarHBondContact O-N 2.97Å; H376-Y378 HydrophobicContact CB-CE2 3.76Å |
| 377 | S | 91.9 | Very high | 88.7 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 32% | 0.315 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 135.9 | 178.7 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | P281 G282 | P281-S377 CarbonylContact C-O 3.55Å; P281-S377 WeakPolarHBondContact CA-O 3.48Å; G282-S377 PolarHBondContact N-O 2.91Å |
| 378 | Y | 92.4 | Very high | 88.7 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122 | -179.4 | -64.4 | -88.7 | 0 | 0 | 0 | 110.1 | G282 A286 I287 L365 V366 V368 H376 | G282-Y378 CarbonylContact O-C 3.54Å; G282-Y378 VanDerWaalsContact O-CA 3.32Å; G282-Y378 WeakPolarHBondContact O-CA 3.34Å; A286-Y378 HydrophobicContact CB-CE1 4.32Å; I287-Y378 HydrophobicContact CD1-CD2 4.44Å; I287-Y378 HydrophobicContact CD1-CG 4.29Å; I287-Y378 HydrophobicContact CG2-CD1 4.07Å; I287-Y378 HydrophobicContact CG2-CD2 4.03Å; I287-Y378 HydrophobicContact CG2-CE1 3.99Å; I287-Y378 HydrophobicContact CG2-CE2 3.95Å; I287-Y378 HydrophobicContact CG2-CG 4.08Å; L365-Y378 CarbonylContact C-O 3.56Å; L365-Y378 WeakPolarHBondContact CA-O 3.36Å; V366-Y378 PolarHBondContact N-O 2.84Å; V366-Y378 PolarHBondContact O-N 2.91Å; V368-Y378 HydrophobicContact CB-CE2 4.23Å; V368-Y378 HydrophobicContact CG2-CD2 4.03Å; V368-Y378 HydrophobicContact CG2-CE2 3.97Å; H376-Y378 HydrophobicContact CB-CE2 3.76Å |
| 379 | L | 92.8 | Very high | 88.8 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.5 | -179 | -172.4 | 68.8 | 0 | 0 | 0 | 109.9 | P147 P281 G282 A284 W331 L365 | P147-L379 HydrophobicContact CG-CB 4.47Å; P147-L379 VanDerWaalsContact CG-O 3.29Å; P147-L379 WeakPolarHBondContact CG-O 3.13Å; P281-L379 HydrophobicContact CB-CB 3.91Å; P281-L379 HydrophobicContact CG-CB 3.69Å; P281-L379 HydrophobicContact CG-CD2 4.08Å; P281-L379 HydrophobicContact CG-CG 4.47Å; G282-L379 PolarHBondContact O-N 3.43Å; A284-L379 WeakPolarHBondContact CB-O 3.5Å; A284-L379 PolarHBondContact N-O 2.98Å; W331-L379 HydrophobicContact CH2-CD1 3.87Å; W331-L379 HydrophobicContact CZ2-CD1 4.28Å; L365-L379 HydrophobicContact CD1-CB 4.44Å; L365-L379 HydrophobicContact CD1-CD1 4.27Å |
| 380 | G | 91.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 153.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | I364 | I364-G380 PolarHBondContact O-N 2.98Š|
| 381 | S | 90.3 | Very high | 89 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 51% | 0.51 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 135.5 | 169.2 | -66 | 0 | 0 | 0 | 0 | 110.2 | ||
| 382 | P | 90.4 | Very high | 89.2 | Confident | 34 Ų | 34 | 51.5 Ų | 51.5 | 22% | 0.221 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 146 | 179.8 | 27.2 | -33.1 | 0 | 0 | 0 | 111.6 | Q146 V361 I362 | Q146-P382 HydrophobicContact CG-CG 3.78Å; V361-P382 HydrophobicContact CG1-CB 3.6Å; I362-P382 WeakPolarHBondContact O-CA 3.41Å |
| 383 | F | 90.3 | Very high | 89.4 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 158.1 | 178.9 | 61.6 | -87 | 0 | 0 | 0 | 111.5 | C291 V299 I362 I364 A388 | C291-F383 HydrophobicContact CB-CE1 3.83Å; C291-F383 HydrophobicContact CB-CE2 4.4Å; C291-F383 HydrophobicContact CB-CZ 3.52Å; V299-F383 HydrophobicContact CG1-CE2 4.31Å; V299-F383 HydrophobicContact CG1-CZ 4.13Å; I362-F383 HydrophobicContact CB-CE2 4.33Å; I362-F383 HydrophobicContact CB-CZ 4.32Å; I362-F383 HydrophobicContact CD1-CE2 4.01Å; I362-F383 HydrophobicContact CG2-CE1 4.46Å; I362-F383 HydrophobicContact CG2-CZ 4.1Å; I362-F383 PolarHBondContact N-O 3.27Å; I362-F383 PolarHBondContact O-N 3.28Å; I364-F383 HydrophobicContact CD1-CE1 3.63Å; I364-F383 HydrophobicContact CD1-CZ 3.77Å; I364-F383 HydrophobicContact CG1-CE1 4.32Å; F383-A388 HydrophobicContact CD2-CB 3.65Å; F383-A388 HydrophobicContact CE2-CB 3.73Å |
| 384 | W | 90.1 | Very high | 89.5 | Confident | 77 Ų | 77 | 43.9 Ų | 43.9 | 29% | 0.292 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 149.7 | 169.3 | -59.4 | 79 | 0 | 0 | 0 | 110 | A320 V361 H386 Q387 | A320-W384 HydrophobicContact CB-CH2 4.11Å; A320-W384 HydrophobicContact CB-CZ2 4.11Å; V361-W384 HydrophobicContact CG2-CD2 4Å; V361-W384 VanDerWaalsContact CG2-CE2 3.49Å; V361-W384 HydrophobicContact CG2-CE3 4.34Å; V361-W384 HydrophobicContact CG2-CH2 3.84Å; V361-W384 HydrophobicContact CG2-CZ2 3.41Å; V361-W384 VanDerWaalsContact CG2-CZ2 3.41Å; V361-W384 HydrophobicContact CG2-CZ3 4.27Å; W384-H386 WeakPolarHBondContact CB-CE1 3.38Å; W384-H386 AromaticContact CG-CE1 3.67Å; W384-H386 PolarHBondContact O-N 3.22Å; W384-H386 VanDerWaalsContact O-N 3.17Å; W384-Q387 HydrophobicContact CB-CG 4.08Å; W384-Q387 VanDerWaalsContact N-OE1 3.14Å; W384-Q387 WeakPolarHBondContact O-CA 3.43Å; W384-Q387 WeakPolarHBondContact O-CB 3.45Å; W384-Q387 PolarHBondContact O-N 2.88Å |
| 385 | I | 91.1 | Very high | 89.4 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 13% | 0.128 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -56.7 | -37.1 | -178.6 | -173.4 | 156.9 | 0 | 0 | 0 | 113.4 | T293 L296 V299 I362 Q387 A388 | T293-I385 HydrophobicContact CG2-CD1 4.42Å; T293-I385 HydrophobicContact CG2-CG1 3.78Å; L296-I385 HydrophobicContact CD2-CG1 4.34Å; L296-I385 VanDerWaalsContact O-CD1 3.25Å; L296-I385 WeakPolarHBondContact O-CD1 3.3Å; V299-I385 HydrophobicContact CG2-CD1 3.9Å; V299-I385 HydrophobicContact CG2-CG1 4.29Å; I362-I385 HydrophobicContact CD1-CB 4.3Å; I385-Q387 PolarHBondContact O-N 3.17Å; I385-A388 PolarHBondContact O-N 2.86Å |
| 386 | H | 87.4 | Confident | 89.4 | Confident | 63 Ų | 63 | 43.9 Ų | 43.9 | 29% | 0.292 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -69.8 | -11.4 | 178 | 62.5 | -98.3 | 0 | 0 | 0 | 113.4 | W384 T469 Y470 Q471 | W384-H386 WeakPolarHBondContact CB-CE1 3.38Å; W384-H386 AromaticContact CG-CE1 3.67Å; W384-H386 PolarHBondContact O-N 3.22Å; W384-H386 VanDerWaalsContact O-N 3.17Å; H386-T469 PolarHBondContact CD2-O 2.87Å; H386-Y470 HydrophobicContact CB-CD1 3.65Å; H386-Y470 HydrophobicContact CB-CE1 3.86Å; H386-Y470 CarbonylContact O-C 3.58Å; H386-Y470 VanDerWaalsContact O-CA 3.31Å; H386-Y470 WeakPolarHBondContact O-CA 3.25Å; H386-Q471 PolarHBondContact O-N 3.26Å; H386-Q471 VanDerWaalsContact O-O 3.05Å |
| 387 | Q | 90.1 | Very high | 89.4 | Confident | 72 Ų | 72 | 44 Ų | 44 | 34% | 0.336 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -95 | -5.5 | 177.7 | -62.1 | 173.9 | -22.7 | 0 | 0 | 113.8 | W384 I385 Q471 G472 | W384-Q387 HydrophobicContact CB-CG 4.08Å; W384-Q387 VanDerWaalsContact N-OE1 3.14Å; W384-Q387 WeakPolarHBondContact O-CA 3.43Å; W384-Q387 WeakPolarHBondContact O-CB 3.45Å; W384-Q387 PolarHBondContact O-N 2.88Å; I385-Q387 PolarHBondContact O-N 3.17Å; Q387-Q471 CarbonylContact C-O 3.48Å; Q387-Q471 WeakPolarHBondContact CA-O 3.42Å; Q387-Q471 HydrophobicContact CB-CB 4.44Å; Q387-Q471 CarbonylContact O-C 3.44Å; Q387-Q471 VanDerWaalsContact O-C 3.27Å; Q387-G472 WeakPolarHBondContact O-CA 2.86Å |
| 388 | A | 91.7 | Very high | 89.2 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 5% | 0.05 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -118.6 | 26.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F292 T293 F383 I385 R390 Q471 | F292-A388 CarbonylContact C-O 3.57Å; F292-A388 WeakPolarHBondContact CA-O 3.43Å; F292-A388 WeakPolarHBondContact CB-O 3.4Å; T293-A388 PolarHBondContact N-O 2.84Å; F383-A388 HydrophobicContact CD2-CB 3.65Å; F383-A388 HydrophobicContact CE2-CB 3.73Å; I385-A388 PolarHBondContact O-N 2.86Å; A388-R390 PolarHBondContact O-N 3.37Å; A388-Q471 PolarHBondContact N-O 2.74Å |
| 389 | V | 90.7 | Very high | 89 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -78.5 | 116.3 | -175.1 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | T293 L296 W416 L465 Y470 Q471 G472 | T293-V389 HydrophobicContact CG2-CB 4.46Å; T293-V389 HydrophobicContact CG2-CG2 4.02Å; T293-V389 WeakPolarHBondContact O-CA 3.33Å; L296-V389 HydrophobicContact CD2-CG2 3.44Å; L296-V389 VanDerWaalsContact CD2-CG2 3.44Å; L296-V389 HydrophobicContact CG-CG2 4.26Å; V389-W416 HydrophobicContact CG1-CH2 4.45Å; V389-L465 HydrophobicContact CB-CD1 3.78Å; V389-L465 HydrophobicContact CG1-CD1 3.63Å; V389-Y470 HydrophobicContact CG2-CD1 4.15Å; V389-Q471 PolarHBondContact N-O 3.32Å; V389-G472 WeakPolarHBondContact O-CA 3.48Å |
| 390 | R | 90.4 | Very high | 88.6 | Confident | 74 Ų | 74 | 52.1 Ų | 52.1 | 28% | 0.279 | 26% | 0.256 | S | S | . | . | trans | -96.1 | 114.3 | 174.9 | -171.9 | 174.6 | 78.4 | -178.1 | 4 | 110.1 | F292 T293 L294 A388 P473 | F292-R390 HydrophobicContact CB-CB 3.76Å; F292-R390 HydrophobicContact CD2-CB 4.06Å; F292-R390 HydrophobicContact CG-CB 4.09Å; T293-R390 PolarHBondContact O-N 3.11Å; L294-R390 HydrophobicContact CD2-CB 4.1Å; L294-R390 VanDerWaalsContact CD2-O 3.24Å; L294-R390 WeakPolarHBondContact CD2-O 3.36Å; A388-R390 PolarHBondContact O-N 3.37Å; R390-P473 HydrophobicContact CB-CG 4.08Å; R390-P473 HydrophobicContact CG-CG 4.31Å | ||
| 391 | L | 87.4 | Confident | 88.2 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 146 | 173.4 | -67.6 | 178.7 | 0 | 0 | 0 | 111 | T421 A463 L465 S475 | L391-T421 HydrophobicContact CD1-CG2 3.8Å; L391-A463 HydrophobicContact CD1-CB 4.01Å; L391-L465 HydrophobicContact CD1-CD2 4.4Å; L391-L465 HydrophobicContact CD1-CG 3.92Å; L391-L465 HydrophobicContact CD2-CD1 3.9Å; L391-L465 HydrophobicContact CD2-CG 4.17Å; L391-L465 HydrophobicContact CG-CD1 4.12Å; L391-L465 HydrophobicContact CG-CG 4Å; L391-S475 WeakPolarHBondContact O-CB 2.92Å |
| 392 | P | 84.8 | Confident | 87.5 | Confident | 69 Ų | 69 | 55.8 Ų | 55.8 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 159.1 | 169.4 | 29.9 | -33.4 | 0 | 0 | 0 | 110.3 | P413 | P392-P413 HydrophobicContact CG-CB 3.57Å; P392-P413 HydrophobicContact CG-CG 3.56Å |
| 393 | T | 86.8 | Confident | 86.9 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 36% | 0.362 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 125.5 | 177.8 | 46.6 | 0 | 0 | 0 | 0 | 110.7 | S476 | T393-S476 WeakPolarHBondContact CG2-OG 3.49Š|
| 394 | P | 85.5 | Confident | 86.4 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 143.4 | 179.8 | 29.7 | -34.7 | 0 | 0 | 0 | 111 | Y423 L461 A463 | P394-Y423 HydrophobicContact CB-CE1 4.22Å; P394-L461 HydrophobicContact CB-CD2 3.9Å; P394-L461 HydrophobicContact CB-CG 4.45Å; P394-L461 HydrophobicContact CG-CB 4.18Å; P394-L461 HydrophobicContact CG-CD2 3.76Å; P394-L461 HydrophobicContact CG-CG 3.76Å; P394-A463 HydrophobicContact CG-CB 4.2Å |
| 395 | N | 84.9 | Confident | 86.1 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 115.7 | 173 | -68.6 | -37.4 | 0 | 0 | 0 | 109.4 | W410 | N395-W410 WeakPolarHBondContact O-CA 3.14Å; N395-W410 WeakPolarHBondContact O-CB 3.43Å |
| 396 | L | 88.3 | Confident | 86 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.8 | 177.4 | 177.7 | 65.7 | 0 | 0 | 0 | 109.8 | L408 W410 L425 L459 L461 A481 | L396-L408 HydrophobicContact CD1-CB 4.37Å; L396-W410 HydrophobicContact CD1-CE3 4.16Å; L396-L425 HydrophobicContact CD2-CD1 4.22Å; L396-L459 HydrophobicContact CD2-CB 3.87Å; L396-L461 HydrophobicContact CB-CB 4.24Å; L396-L461 HydrophobicContact CB-CD2 4.43Å; L396-L461 HydrophobicContact CD1-CD2 4.22Å; L396-L461 HydrophobicContact CD2-CB 4.4Å; L396-A481 HydrophobicContact CD2-CB 4.2Å |
| 397 | H | 88.7 | Confident | 86.1 | Confident | 94 Ų | 94 | 50.9 Ų | 50.9 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 150.5 | 169.1 | -61.5 | -72.4 | 0 | 0 | 0 | 110 | E409 | H397-E409 CarbonylContact C-O 3.56Å; H397-E409 WeakPolarHBondContact CA-O 3.46Å; H397-E409 WeakPolarHBondContact CB-O 3.39Å; H397-E409 PolarHBondContact N-O 2.74Å; H397-E409 PolarHBondContact O-N 2.89Å |
| 398 | W | 88.6 | Confident | 86.1 | Confident | 100 Ų | 100 | 47.4 Ų | 47.4 | 38% | 0.379 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 150 | 179.3 | 63.3 | -91.1 | 0 | 0 | 0 | 111.1 | L406 E407 L408 R482 V483 | W398-L406 HydrophobicContact CE3-CD2 3.7Å; W398-L406 HydrophobicContact CZ3-CD2 4.09Å; W398-E407 CarbonylContact C-O 3.46Å; W398-E407 WeakPolarHBondContact CA-O 3.48Å; W398-L408 HydrophobicContact CB-CD2 3.67Å; W398-R482 WeakPolarHBondContact CZ2-O 3.38Å; W398-V483 HydrophobicContact CD2-CG1 4.48Å; W398-V483 HydrophobicContact CD2-CG2 3.72Å; W398-V483 HydrophobicContact CE3-CG1 4.12Å; W398-V483 HydrophobicContact CE3-CG2 4.19Å; W398-V483 HydrophobicContact CG-CG2 4.1Å; W398-V483 HydrophobicContact CH2-CB 4.45Å; W398-V483 HydrophobicContact CH2-CG1 4.06Å; W398-V483 HydrophobicContact CH2-CG2 4.3Å; W398-V483 HydrophobicContact CZ2-CB 4.36Å; W398-V483 HydrophobicContact CZ2-CG1 4.43Å; W398-V483 HydrophobicContact CZ2-CG2 3.85Å; W398-V483 HydrophobicContact CZ3-CG1 3.9Å; W398-V483 HydrophobicContact CZ3-CG2 4.46Å |
| 399 | R | 87 | Confident | 85.9 | Confident | 121 Ų | 121 | 51.2 Ų | 51.2 | 46% | 0.457 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.4 | 169.4 | 61.8 | 177.1 | -178.9 | -113.7 | -1.6 | 109.8 | E407 E409 | R399-E407 HydrophobicContact CG-CB 3.74Å; R399-E407 IonicContact CZ-OE1 3.51Å; R399-E407 IonicContact CZ-OE2 3.08Å; R399-E407 PolarHBondContact N-O 2.85Å; R399-E407 IonicContact NE-OE2 2.77Å; R399-E407 PolarHBondContact NE-OE2 2.9Å; R399-E407 IonicContact NH2-OE1 3.23Å; R399-E407 PolarHBondContact NH2-OE1 2.84Å; R399-E407 IonicContact NH2-OE2 3.73Å; R399-E407 PolarHBondContact NH2-OE2 2.85Å; R399-E407 PolarHBondContact O-N 2.85Å; R399-E409 IonicContact CZ-OE1 3.68Å; R399-E409 VanDerWaalsContact CZ-OE1 3.23Å; R399-E409 IonicContact NH1-OE1 3.03Å; R399-E409 PolarHBondContact NH1-OE1 3.36Å; R399-E409 IonicContact NH1-OE2 3.39Å; R399-E409 IonicContact NH2-OE1 2.87Å; R399-E409 PolarHBondContact NH2-OE1 3.23Å; R399-E409 VanDerWaalsContact NH2-OE1 3.08Å |
| 400 | E | 84.8 | Confident | 85.7 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121.2 | 173.2 | -170.9 | 171.9 | -160.6 | 0 | 0 | 109.2 | S402 G404 L406 T485 A486 | E400-S402 VanDerWaalsContact CG-O 3.31Å; E400-S402 WeakPolarHBondContact CG-O 3.27Å; E400-G404 PolarHBondContact OE1-N 2.83Å; E400-L406 HydrophobicContact CB-CD2 4.06Å; E400-L406 HydrophobicContact CG-CD2 4.42Å; E400-T485 WeakPolarHBondContact OE1-CA 3.49Å; E400-A486 VanDerWaalsContact CD-N 3.28Å; E400-A486 PolarHBondContact OE1-N 2.87Å; E400-A486 VanDerWaalsContact OE2-CB 3.27Å; E400-A486 WeakPolarHBondContact OE2-CB 3.29Å; E400-A486 PolarHBondContact OE2-N 3.03Å |
| 401 | I | 82.9 | Confident | 84.8 | Confident | 103 Ų | 103 | 54.2 Ų | 54.2 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -43.2 | -179.7 | -53.1 | 157.7 | 0 | 0 | 0 | 110.4 | H405 E407 T448 | I401-H405 PolarHBondContact N-O 3.33Å; I401-E407 HydrophobicContact CD1-CB 3.57Å; I401-E407 HydrophobicContact CD1-CG 3.9Å; I401-E407 WeakPolarHBondContact CD1-OE2 3.49Å; I401-E407 HydrophobicContact CG1-CB 3.83Å; I401-E407 WeakPolarHBondContact CG1-OE2 3.19Å; I401-T448 HydrophobicContact CD1-CG2 4.37Å |
| 402 | S | 76.1 | Confident | 84 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 164.1 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 109.1 | E400 G404 H405 | E400-S402 VanDerWaalsContact CG-O 3.31Å; E400-S402 WeakPolarHBondContact CG-O 3.27Å; S402-G404 PolarHBondContact O-N 3.11Å; S402-H405 PolarHBondContact O-N 2.89Å; S402-H405 VanDerWaalsContact OG-CB 3.31Å; S402-H405 WeakPolarHBondContact OG-CB 3.33Å; S402-H405 VanDerWaalsContact OG-CG 3.27Å; S402-H405 PolarHBondContact OG-ND1 2.9Å |
| 403 | S | 78.4 | Confident | 83.3 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 113.5 | -172.5 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | H405 A486 E488 | S403-H405 VanDerWaalsContact C-N 3.33Å; S403-H405 PolarHBondContact O-ND1 2.86Å; S403-A486 WeakPolarHBondContact CB-O 3.35Å; S403-E488 VanDerWaalsContact OG-CD 3.27Å; S403-E488 VanDerWaalsContact OG-CG 3.28Å; S403-E488 WeakPolarHBondContact OG-CG 3.47Å |
| 404 | G | 78.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -5.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | E400 S402 E450 L451 | E400-G404 PolarHBondContact OE1-N 2.83Å; S402-G404 PolarHBondContact O-N 3.11Å; G404-E450 CarbonylContact O-C 3.59Å; G404-E450 WeakPolarHBondContact O-CA 3.1Å; G404-L451 WeakPolarHBondContact CA-O 3.44Å; G404-L451 PolarHBondContact O-N 2.8Å |
| 405 | H | 85.1 | Confident | 81.8 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 32% | 0.315 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.6 | 176.3 | -64.4 | 66.4 | 0 | 0 | 0 | 110.6 | I401 S402 S403 E450 | I401-H405 PolarHBondContact N-O 3.33Å; S402-H405 PolarHBondContact O-N 2.89Å; S402-H405 VanDerWaalsContact OG-CB 3.31Å; S402-H405 WeakPolarHBondContact OG-CB 3.33Å; S402-H405 VanDerWaalsContact OG-CG 3.27Å; S402-H405 PolarHBondContact OG-ND1 2.9Å; S403-H405 VanDerWaalsContact C-N 3.33Å; S403-H405 PolarHBondContact O-ND1 2.86Å; H405-E450 IonicContact CD2-OE1 2.82Å; H405-E450 IonicContact NE2-OE1 3.75Å; H405-E450 PolarHBondContact NE2-OE1 2.83Å |
| 406 | L | 87.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.3 | -179.8 | -64.5 | 160.8 | 0 | 0 | 0 | 110 | W398 E400 L408 T448 L449 L451 V483 | W398-L406 HydrophobicContact CE3-CD2 3.7Å; W398-L406 HydrophobicContact CZ3-CD2 4.09Å; E400-L406 HydrophobicContact CB-CD2 4.06Å; E400-L406 HydrophobicContact CG-CD2 4.42Å; L406-L408 HydrophobicContact CB-CD2 4.28Å; L406-T448 CarbonylContact O-C 3.57Å; L406-T448 VanDerWaalsContact O-CA 3.29Å; L406-T448 WeakPolarHBondContact O-CA 3.5Å; L406-L449 HydrophobicContact CB-CB 4.47Å; L406-L449 PolarHBondContact N-O 2.96Å; L406-L449 PolarHBondContact O-N 2.78Å; L406-L451 HydrophobicContact CD1-CD1 3.3Å; L406-L451 HydrophobicContact CD1-CG 3.95Å; L406-V483 HydrophobicContact CD1-CB 4.49Å; L406-V483 HydrophobicContact CD1-CG1 3.64Å; L406-V483 HydrophobicContact CD2-CG1 3.53Å; L406-V483 HydrophobicContact CG-CG1 4.21Å |
| 407 | E | 89.4 | Confident | 80.8 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 16% | 0.159 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.7 | 161.6 | -148.1 | 167.9 | 173.2 | 0 | 0 | 108.6 | W398 R399 I401 T448 | W398-E407 CarbonylContact C-O 3.46Å; W398-E407 WeakPolarHBondContact CA-O 3.48Å; R399-E407 HydrophobicContact CG-CB 3.74Å; R399-E407 IonicContact CZ-OE1 3.51Å; R399-E407 IonicContact CZ-OE2 3.08Å; R399-E407 PolarHBondContact N-O 2.85Å; R399-E407 IonicContact NE-OE2 2.77Å; R399-E407 PolarHBondContact NE-OE2 2.9Å; R399-E407 IonicContact NH2-OE1 3.23Å; R399-E407 PolarHBondContact NH2-OE1 2.84Å; R399-E407 IonicContact NH2-OE2 3.73Å; R399-E407 PolarHBondContact NH2-OE2 2.85Å; R399-E407 PolarHBondContact O-N 2.85Å; I401-E407 HydrophobicContact CD1-CB 3.57Å; I401-E407 HydrophobicContact CD1-CG 3.9Å; I401-E407 WeakPolarHBondContact CD1-OE2 3.49Å; I401-E407 HydrophobicContact CG1-CB 3.83Å; I401-E407 WeakPolarHBondContact CG1-OE2 3.19Å; E407-T448 HydrophobicContact CG-CG2 4.49Å |
| 408 | L | 90.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.1 | 177.4 | -54.2 | 178.1 | 0 | 0 | 0 | 107.6 | L396 W398 L406 W410 L425 G446 G447 L449 L459 | L396-L408 HydrophobicContact CD1-CB 4.37Å; W398-L408 HydrophobicContact CB-CD2 3.67Å; L406-L408 HydrophobicContact CB-CD2 4.28Å; L408-W410 HydrophobicContact CB-CE3 4.27Å; L408-W410 HydrophobicContact CB-CZ3 3.93Å; L408-L425 HydrophobicContact CD1-CD1 4.34Å; L408-L425 HydrophobicContact CD1-CD2 3.34Å; L408-L425 HydrophobicContact CD1-CG 4.49Å; L408-G446 CarbonylContact O-C 3.42Å; L408-G446 WeakPolarHBondContact O-CA 2.99Å; L408-G447 PolarHBondContact N-O 3.18Å; L408-G447 PolarHBondContact O-N 3.46Å; L408-L449 HydrophobicContact CD1-CB 3.89Å; L408-L449 HydrophobicContact CD1-CD2 4.23Å; L408-L449 HydrophobicContact CG-CB 4.39Å; L408-L459 HydrophobicContact CD1-CD2 4.34Å; L408-L459 HydrophobicContact CD2-CD2 4.05Å |
| 409 | E | 88.1 | Confident | 79.6 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.9 | 174.9 | -70.9 | 178.9 | -174.8 | 0 | 0 | 108.1 | H397 R399 | H397-E409 CarbonylContact C-O 3.56Å; H397-E409 WeakPolarHBondContact CA-O 3.46Å; H397-E409 WeakPolarHBondContact CB-O 3.39Å; H397-E409 PolarHBondContact N-O 2.74Å; H397-E409 PolarHBondContact O-N 2.89Å; R399-E409 IonicContact CZ-OE1 3.68Å; R399-E409 VanDerWaalsContact CZ-OE1 3.23Å; R399-E409 IonicContact NH1-OE1 3.03Å; R399-E409 PolarHBondContact NH1-OE1 3.36Å; R399-E409 IonicContact NH1-OE2 3.39Å; R399-E409 IonicContact NH2-OE1 2.87Å; R399-E409 PolarHBondContact NH2-OE1 3.23Å; R399-E409 VanDerWaalsContact NH2-OE1 3.08Å |
| 410 | W | 86 | Confident | 79.3 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.2 | 175.4 | 53.5 | 79.9 | 0 | 0 | 0 | 110.7 | N395 L396 L408 Y423 P440 A444 R445 L461 W632 | N395-W410 WeakPolarHBondContact O-CA 3.14Å; N395-W410 WeakPolarHBondContact O-CB 3.43Å; L396-W410 HydrophobicContact CD1-CE3 4.16Å; L408-W410 HydrophobicContact CB-CE3 4.27Å; L408-W410 HydrophobicContact CB-CZ3 3.93Å; W410-Y423 AromaticContact CD1-CE1 3.57Å; W410-Y423 AromaticContact CD1-CE2 3.87Å; W410-Y423 AromaticContact CD1-CZ 3.43Å; W410-Y423 VanDerWaalsContact CD1-CZ 3.43Å; W410-Y423 HydrophobicContact CG-CE1 4.4Å; W410-Y423 HydrophobicContact CZ2-CD2 4.3Å; W410-Y423 HydrophobicContact CZ2-CG 4.34Å; W410-Y423 AromaticContact NE1-CD1 3.84Å; W410-Y423 AromaticContact NE1-CD2 3.47Å; W410-Y423 AromaticContact NE1-CE1 3.66Å; W410-Y423 AromaticContact NE1-CE2 3.27Å; W410-Y423 VanDerWaalsContact NE1-CE2 3.27Å; W410-Y423 AromaticContact NE1-CG 3.73Å; W410-Y423 AromaticContact NE1-CZ 3.35Å; W410-P440 HydrophobicContact CH2-CB 4.12Å; W410-P440 HydrophobicContact CH2-CG 3.8Å; W410-P440 HydrophobicContact CZ2-CB 4.11Å; W410-P440 HydrophobicContact CZ2-CG 4.08Å; W410-A444 HydrophobicContact CZ2-CB 3.85Å; W410-A444 PolarHBondContact NE1-O 2.84Å; W410-R445 PolarHBondContact N-O 2.73Å; W410-L461 HydrophobicContact CB-CD2 3.55Å; W410-L461 HydrophobicContact CD2-CD2 3.77Å; W410-L461 HydrophobicContact CE3-CD2 4.03Å; W410-L461 HydrophobicContact CG-CD2 3.58Å; W410-W632 HydrophobicContact CH2-CE3 4.18Å; W410-W632 AromaticContact CH2-CZ3 3.63Å; W410-W632 HydrophobicContact CH2-CZ3 3.63Å; W410-W632 HydrophobicContact CZ3-CZ3 4.25Å |
| 411 | Q | 72.4 | Confident | 79.3 | Confident | 134 Ų | 134 | 52.9 Ų | 52.9 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.4 | -179.8 | -64.9 | -179.2 | 11.1 | 0 | 0 | 109.5 | ||
| 412 | H | 70.5 | Confident | 79.6 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | trans | -74.7 | 126 | 172.4 | -165.5 | -71.1 | 0 | 0 | 0 | 109 | S414 A417 A418 T421 Y423 | H412-S414 PolarHBondContact CE1-O 2.93Å; H412-S414 PolarHBondContact ND1-N 3.45Å; H412-S414 PolarHBondContact ND1-O 3.33Å; H412-S414 PolarHBondContact O-N 2.95Å; H412-S414 VanDerWaalsContact O-N 3.13Å; H412-A417 VanDerWaalsContact CE1-CB 3.42Å; H412-A417 WeakPolarHBondContact CE1-CB 3.32Å; H412-A418 HydrophobicContact CB-CB 4.09Å; H412-A418 VanDerWaalsContact CD2-CA 3.46Å; H412-A418 WeakPolarHBondContact CD2-CA 3.44Å; H412-T421 WeakPolarHBondContact NE2-CB 3.4Å; H412-T421 PolarHBondContact NE2-OG1 2.94Å; H412-Y423 PolarHBondContact CD2-OH 2.79Å | ||
| 413 | P | 69.1 | Low | 80.2 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 40% | 0.403 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -57.3 | -31.4 | -176.2 | -22.6 | 29.8 | 0 | 0 | 0 | 113.8 | P392 | P392-P413 HydrophobicContact CG-CB 3.57Å; P392-P413 HydrophobicContact CG-CG 3.56Å |
| 414 | S | 71.1 | Confident | 80.8 | Confident | 37 Ų | 37 | 46.6 Ų | 46.6 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | trans | -136.4 | 124.5 | -174.8 | -54.6 | 0 | 0 | 0 | 0 | 112.5 | H412 W416 A417 | H412-S414 PolarHBondContact CE1-O 2.93Å; H412-S414 PolarHBondContact ND1-N 3.45Å; H412-S414 PolarHBondContact ND1-O 3.33Å; H412-S414 PolarHBondContact O-N 2.95Å; H412-S414 VanDerWaalsContact O-N 3.13Å; S414-W416 VanDerWaalsContact C-N 3.29Å; S414-W416 PolarHBondContact O-N 2.03Å; S414-A417 PolarHBondContact O-N 3.45Å | ||
| 415 | S | 70.9 | Confident | 81.4 | Confident | 117 Ų | 117 | 46.6 Ų | 46.6 | 82% | 0.818 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -60.8 | -33.1 | -177.5 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | A417 | S415-A417 VanDerWaalsContact C-N 3.31Å; S415-A417 PolarHBondContact O-N 2.95Å |
| 416 | W | 75.6 | Confident | 81.8 | Confident | 126 Ų | 126 | 45.8 Ų | 45.8 | 48% | 0.477 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -67.5 | -26.8 | -178.5 | 65.3 | -99 | 0 | 0 | 0 | 114.2 | L296 V389 S414 L465 Y470 | L296-W416 HydrophobicContact CD1-CH2 4.2Å; L296-W416 HydrophobicContact CD1-CZ2 4.38Å; V389-W416 HydrophobicContact CG1-CH2 4.45Å; S414-W416 VanDerWaalsContact C-N 3.29Å; S414-W416 PolarHBondContact O-N 2.03Å; W416-L465 HydrophobicContact CH2-CD1 4.15Å; W416-L465 HydrophobicContact CZ3-CD1 4.44Å; W416-Y470 HydrophobicContact CE3-CD2 4.11Å; W416-Y470 AromaticContact CE3-CE2 3.95Å; W416-Y470 HydrophobicContact CE3-CE2 3.95Å; W416-Y470 HydrophobicContact CH2-CD1 4.33Å; W416-Y470 HydrophobicContact CH2-CE1 4.49Å; W416-Y470 HydrophobicContact CH2-CG 4.36Å; W416-Y470 HydrophobicContact CZ3-CD1 4.03Å; W416-Y470 AromaticContact CZ3-CD2 3.52Å; W416-Y470 HydrophobicContact CZ3-CD2 3.52Å; W416-Y470 HydrophobicContact CZ3-CE1 4.16Å; W416-Y470 AromaticContact CZ3-CE2 3.65Å; W416-Y470 HydrophobicContact CZ3-CE2 3.65Å; W416-Y470 AromaticContact CZ3-CG 3.71Å; W416-Y470 HydrophobicContact CZ3-CG 3.71Å; W416-Y470 AromaticContact CZ3-CZ 3.98Å |
| 417 | A | 75.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -97.9 | -7.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H412 S414 S415 Q419 E420 T421 L465 | H412-A417 VanDerWaalsContact CE1-CB 3.42Å; H412-A417 WeakPolarHBondContact CE1-CB 3.32Å; S414-A417 PolarHBondContact O-N 3.45Å; S415-A417 VanDerWaalsContact C-N 3.31Å; S415-A417 PolarHBondContact O-N 2.95Å; A417-Q419 VanDerWaalsContact C-N 3.32Å; A417-Q419 PolarHBondContact O-N 3.46Å; A417-E420 PolarHBondContact O-N 3.17Å; A417-T421 PolarHBondContact O-N 3.32Å; A417-T421 PolarHBondContact O-OG1 3.12Å; A417-L465 HydrophobicContact CB-CD1 4.45Å; A417-L465 HydrophobicContact CB-CD2 3.67Å |
| 418 | A | 74.5 | Confident | 82.1 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -62.1 | -33.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H412 G443 | H412-A418 HydrophobicContact CB-CB 4.09Å; H412-A418 VanDerWaalsContact CD2-CA 3.46Å; H412-A418 WeakPolarHBondContact CD2-CA 3.44Å; A418-G443 WeakPolarHBondContact O-CA 3.43Å |
| 419 | Q | 76.8 | Confident | 81.9 | Confident | 174 Ų | 174 | 46 Ų | 46 | 81% | 0.813 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -77.6 | -26.2 | -178.2 | -66.4 | -179 | -10 | 0 | 0 | 113.1 | A417 | A417-Q419 VanDerWaalsContact C-N 3.32Å; A417-Q419 PolarHBondContact O-N 3.46Å |
| 420 | E | 80.8 | Confident | 81.7 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -99.3 | 6.7 | -176.7 | -64.6 | -170.4 | 174.4 | 0 | 0 | 112.6 | A417 L465 N466 T469 Y470 | A417-E420 PolarHBondContact O-N 3.17Å; E420-L465 HydrophobicContact CB-CD2 4.24Å; E420-N466 PolarHBondContact O-N 3.39Å; E420-T469 WeakPolarHBondContact OE1-CB 3.36Å; E420-T469 PolarHBondContact OE1-OG1 3.05Å; E420-Y470 PolarHBondContact OE2-N 3.33Å; E420-Y470 VanDerWaalsContact OE2-N 3.09Å |
| 421 | T | 85.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.9 | -177.2 | -66.8 | 0 | 0 | 0 | 0 | 112 | L391 H412 A417 Y423 G443 A463 R464 L465 | L391-T421 HydrophobicContact CD1-CG2 3.8Å; H412-T421 WeakPolarHBondContact NE2-CB 3.4Å; H412-T421 PolarHBondContact NE2-OG1 2.94Å; A417-T421 PolarHBondContact O-N 3.32Å; A417-T421 PolarHBondContact O-OG1 3.12Å; T421-Y423 HydrophobicContact CG2-CD1 4.5Å; T421-Y423 HydrophobicContact CG2-CD2 4.12Å; T421-Y423 HydrophobicContact CG2-CE1 4.09Å; T421-Y423 HydrophobicContact CG2-CE2 3.66Å; T421-G443 PolarHBondContact O-N 3.13Å; T421-A463 HydrophobicContact CG2-CB 3.94Å; T421-R464 CarbonylContact C-O 3.5Å; T421-R464 WeakPolarHBondContact CA-O 3.37Å; T421-L465 WeakPolarHBondContact OG1-CD2 3.02Å |
| 422 | C | 88.6 | Confident | 81.6 | Confident | 23 Ų | 23 | 48.9 Ų | 48.9 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 137.3 | 164.5 | -69.3 | 0 | 0 | 0 | 0 | 109.8 | L442 A463 R464 N466 W474 | C422-L442 WeakPolarHBondContact SG-CD2 3.45Å; C422-A463 CarbonylContact O-C 3.6Å; C422-A463 WeakPolarHBondContact O-CA 3.45Å; C422-R464 HydrophobicContact CB-CG 3.99Å; C422-R464 PolarHBondContact N-O 2.9Å; C422-R464 PolarHBondContact O-N 3.21Å; C422-N466 HydrophobicContact CB-CB 4.48Å; C422-N466 VanDerWaalsContact SG-CB 3.59Å; C422-W474 HydrophobicContact CB-CH2 4.43Å |
| 423 | Y | 88.3 | Confident | 81.9 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 154.4 | 171.6 | -69.7 | -80.9 | 0 | 0 | 0 | 110.5 | P394 W410 H412 T421 P440 A444 L461 R462 A463 | P394-Y423 HydrophobicContact CB-CE1 4.22Å; W410-Y423 AromaticContact CD1-CE1 3.57Å; W410-Y423 AromaticContact CD1-CE2 3.87Å; W410-Y423 AromaticContact CD1-CZ 3.43Å; W410-Y423 VanDerWaalsContact CD1-CZ 3.43Å; W410-Y423 HydrophobicContact CG-CE1 4.4Å; W410-Y423 HydrophobicContact CZ2-CD2 4.3Å; W410-Y423 HydrophobicContact CZ2-CG 4.34Å; W410-Y423 AromaticContact NE1-CD1 3.84Å; W410-Y423 AromaticContact NE1-CD2 3.47Å; W410-Y423 AromaticContact NE1-CE1 3.66Å; W410-Y423 AromaticContact NE1-CE2 3.27Å; W410-Y423 VanDerWaalsContact NE1-CE2 3.27Å; W410-Y423 AromaticContact NE1-CG 3.73Å; W410-Y423 AromaticContact NE1-CZ 3.35Å; H412-Y423 PolarHBondContact CD2-OH 2.79Å; T421-Y423 HydrophobicContact CG2-CD1 4.5Å; T421-Y423 HydrophobicContact CG2-CD2 4.12Å; T421-Y423 HydrophobicContact CG2-CE1 4.09Å; T421-Y423 HydrophobicContact CG2-CE2 3.66Å; Y423-P440 WeakPolarHBondContact O-CD 3.11Å; Y423-A444 VanDerWaalsContact CE2-O 3.23Å; Y423-A444 WeakPolarHBondContact CE2-O 3.34Å; Y423-L461 HydrophobicContact CD1-CD1 4.25Å; Y423-L461 HydrophobicContact CD1-CD2 4.22Å; Y423-L461 HydrophobicContact CD1-CG 4.28Å; Y423-R462 WeakPolarHBondContact CA-O 3.35Å; Y423-A463 HydrophobicContact CD1-CB 3.79Å; Y423-A463 HydrophobicContact CE1-CB 3.66Å |
| 424 | Q | 92.3 | Very high | 82.7 | Confident | 18 Ų | 18 | 59 Ų | 59 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 122.3 | 167.5 | -166.5 | 179.5 | 64.4 | 0 | 0 | 109.3 | V437 E439 R462 W474 W477 | Q424-V437 VanDerWaalsContact CD-CG1 3.44Å; Q424-V437 HydrophobicContact CG-CG1 3.42Å; Q424-V437 VanDerWaalsContact CG-CG1 3.42Å; Q424-E439 HydrophobicContact CG-CG 4.09Å; Q424-E439 PolarHBondContact NE2-OE1 3.09Å; Q424-R462 HydrophobicContact CB-CG 3.95Å; Q424-R462 PolarHBondContact N-O 3.13Å; Q424-R462 PolarHBondContact O-N 3.32Å; Q424-W474 HydrophobicContact CB-CH2 3.83Å; Q424-W474 HydrophobicContact CB-CZ3 3.89Å; Q424-W477 HydrophobicContact CG-CH2 4.27Å; Q424-W477 WeakPolarHBondContact O-CZ3 3.42Å |
| 425 | L | 91.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.6 | -180 | 177.7 | 72.8 | 0 | 0 | 0 | 108.4 | L396 L408 V437 L438 L449 L459 Q460 L461 | L396-L425 HydrophobicContact CD2-CD1 4.22Å; L408-L425 HydrophobicContact CD1-CD1 4.34Å; L408-L425 HydrophobicContact CD1-CD2 3.34Å; L408-L425 HydrophobicContact CD1-CG 4.49Å; L425-V437 CarbonylContact O-C 3.58Å; L425-V437 WeakPolarHBondContact O-CA 3.26Å; L425-L438 HydrophobicContact CB-CB 4.42Å; L425-L438 HydrophobicContact CD2-CD1 4.28Å; L425-L438 PolarHBondContact N-O 3.22Å; L425-L438 PolarHBondContact O-N 3.21Å; L425-L449 HydrophobicContact CD2-CD2 4.4Å; L425-L459 HydrophobicContact CD1-CB 4.46Å; L425-L459 HydrophobicContact CD1-CD2 4.45Å; L425-Q460 WeakPolarHBondContact CA-O 3.26Å; L425-L461 HydrophobicContact CB-CD1 4.09Å; L425-L461 HydrophobicContact CD1-CD1 4.21Å |
| 426 | R | 92.4 | Very high | 84.4 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.7 | 169.5 | 69.3 | 176.8 | -176.4 | -169.3 | -0.9 | 111.3 | W435 K436 V437 L459 Q460 W477 | R426-W435 HydrophobicContact CB-CB 4.45Å; R426-W435 HydrophobicContact CB-CE3 3.88Å; R426-W435 HydrophobicContact CG-CD2 4.12Å; R426-W435 HydrophobicContact CG-CE3 3.46Å; R426-W435 VanDerWaalsContact CG-CE3 3.46Å; R426-W435 HydrophobicContact CG-CZ3 3.82Å; R426-K436 CarbonylContact C-O 3.57Å; R426-K436 WeakPolarHBondContact CA-O 3.04Å; R426-V437 HydrophobicContact CB-CG2 4.17Å; R426-L459 CarbonylContact O-C 3.39Å; R426-L459 WeakPolarHBondContact O-CA 3.41Å; R426-Q460 HydrophobicContact CG-CB 3.94Å; R426-Q460 PolarHBondContact N-O 2.93Å; R426-Q460 PolarHBondContact O-N 2.84Å; R426-W477 HydrophobicContact CB-CH2 4.03Å; R426-W477 HydrophobicContact CB-CZ3 4.09Å; R426-W477 HydrophobicContact CG-CE3 3.95Å; R426-W477 HydrophobicContact CG-CH2 3.75Å; R426-W477 HydrophobicContact CG-CZ2 4.36Å; R426-W477 HydrophobicContact CG-CZ3 3.51Å; R426-W477 VanDerWaalsContact CZ-CE2 3.47Å |
| 427 | Y | 91.2 | Very high | 85.2 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 7% | 0.071 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 149.1 | 176.1 | 71.7 | -79.3 | 0 | 0 | 0 | 112.1 | K436 L438 L449 L451 Y457 R458 | Y427-K436 HydrophobicContact CD1-CB 3.86Å; Y427-K436 HydrophobicContact CD2-CB 4.46Å; Y427-K436 HydrophobicContact CE1-CB 3.42Å; Y427-K436 VanDerWaalsContact CE1-CB 3.42Å; Y427-K436 HydrophobicContact CE1-CD 4.24Å; Y427-K436 HydrophobicContact CE1-CG 4.47Å; Y427-K436 HydrophobicContact CE2-CB 4.12Å; Y427-K436 HydrophobicContact CE2-CD 3.77Å; Y427-K436 HydrophobicContact CE2-CG 4.46Å; Y427-K436 HydrophobicContact CG-CB 4.36Å; Y427-K436 PolarHBondContact N-O 2.94Å; Y427-K436 PolarHBondContact O-N 3.34Å; Y427-K436 VanDerWaalsContact OH-CD 3.28Å; Y427-K436 WeakPolarHBondContact OH-CD 2.89Å; Y427-L438 HydrophobicContact CD1-CD1 4.1Å; Y427-L438 HydrophobicContact CD1-CG 4.46Å; Y427-L438 HydrophobicContact CE1-CD1 3.71Å; Y427-L438 HydrophobicContact CE1-CG 4.01Å; Y427-L449 HydrophobicContact CD1-CD1 4.49Å; Y427-L449 HydrophobicContact CD1-CD2 4.43Å; Y427-L449 HydrophobicContact CE1-CD1 4.21Å; Y427-L449 HydrophobicContact CG-CD2 4.38Å; Y427-L451 HydrophobicContact CD2-CD2 3.62Å; Y427-L451 HydrophobicContact CE2-CD2 3.47Å; Y427-L451 VanDerWaalsContact CE2-CD2 3.47Å; Y427-L451 HydrophobicContact CG-CD2 4.46Å; Y427-Y457 HydrophobicContact CD2-CD1 4.29Å; Y427-R458 CarbonylContact C-O 3.27Å; Y427-R458 WeakPolarHBondContact CA-O 3.37Å |
| 428 | T | 92.3 | Very high | 85.8 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149.3 | 174.9 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | H432 D434 W435 Y457 R458 | T428-H432 PolarHBondContact OG1-O 3.05Å; T428-D434 WeakPolarHBondContact CB-O 3.33Å; T428-D434 PolarHBondContact OG1-O 3.47Å; T428-W435 HydrophobicContact CG2-CD2 3.88Å; T428-W435 HydrophobicContact CG2-CE3 3.75Å; T428-W435 HydrophobicContact CG2-CH2 3.69Å; T428-W435 HydrophobicContact CG2-CZ2 3.79Å; T428-W435 HydrophobicContact CG2-CZ3 3.67Å; T428-Y457 CarbonylContact O-C 3.57Å; T428-Y457 VanDerWaalsContact O-CA 3.27Å; T428-Y457 WeakPolarHBondContact O-CA 2.92Å; T428-R458 HydrophobicContact CG2-CB 4.16Å; T428-R458 PolarHBondContact N-O 2.74Å; T428-R458 PolarHBondContact O-N 3.48Å |
| 429 | G | 87.6 | Confident | 86.4 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 147.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | G431 H432 | G429-G431 PolarHBondContact O-N 2.98Å; G429-H432 PolarHBondContact O-N 2.95Å |
| 430 | E | 83.4 | Confident | 86.8 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 121.8 | 176.6 | -172.5 | 160.4 | -117.4 | 0 | 0 | 110.7 | R456 R458 | E430-R456 HydrophobicContact CB-CB 3.78Å; E430-R456 PolarHBondContact N-O 2.75Å; E430-R456 WeakPolarHBondContact OE2-CD 3.29Å; E430-R456 IonicContact OE2-NE 3.41Å; E430-R456 IonicContact OE2-NH1 3.02Å; E430-R458 IonicContact OE1-NH2 2.73Å |
| 431 | G | 75.8 | Confident | 86.8 | Confident | 73 Ų | 73 | 60 Ų | 60 | 75% | 0.753 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.5 | -8.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | G429 | G429-G431 PolarHBondContact O-N 2.98Š|
| 432 | H | 79.7 | Confident | 86.7 | Confident | 127 Ų | 127 | 64.8 Ų | 64.8 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | trans | -94.5 | 144.9 | 172.6 | -71.3 | -94 | 0 | 0 | 0 | 111.3 | T428 G429 | T428-H432 PolarHBondContact OG1-O 3.05Å; G429-H432 PolarHBondContact O-N 2.95Å | ||
| 433 | Q | 78 | Confident | 86.1 | Confident | 177 Ų | 177 | 64.3 Ų | 64.3 | 83% | 0.827 | 34% | 0.337 | S | S | * | . | trans | -91.4 | -23.8 | 174.3 | -68.3 | -169.6 | -4 | 0 | 0 | 112.5 | ||||
| 434 | D | 85.3 | Confident | 85.8 | Confident | 131 Ų | 131 | 64.1 Ų | 64.1 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 128.1 | -177.5 | -57.3 | -44.1 | 0 | 0 | 0 | 111.5 | T428 | T428-D434 WeakPolarHBondContact CB-O 3.33Å; T428-D434 PolarHBondContact OG1-O 3.47Å |
| 435 | W | 88.8 | Confident | 85.3 | Confident | 90 Ų | 90 | 71.4 Ų | 71.4 | 34% | 0.341 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 129.8 | 175 | -69.9 | 87.5 | 0 | 0 | 0 | 110.2 | R426 T428 R458 Q460 | R426-W435 HydrophobicContact CB-CB 4.45Å; R426-W435 HydrophobicContact CB-CE3 3.88Å; R426-W435 HydrophobicContact CG-CD2 4.12Å; R426-W435 HydrophobicContact CG-CE3 3.46Å; R426-W435 VanDerWaalsContact CG-CE3 3.46Å; R426-W435 HydrophobicContact CG-CZ3 3.82Å; T428-W435 HydrophobicContact CG2-CD2 3.88Å; T428-W435 HydrophobicContact CG2-CE3 3.75Å; T428-W435 HydrophobicContact CG2-CH2 3.69Å; T428-W435 HydrophobicContact CG2-CZ2 3.79Å; T428-W435 HydrophobicContact CG2-CZ3 3.67Å; W435-R458 HydrophobicContact CH2-CB 4.07Å; W435-R458 HydrophobicContact CZ3-CB 4.42Å; W435-R458 WeakPolarHBondContact CZ3-O 3.46Å; W435-Q460 HydrophobicContact CH2-CG 4.28Å; W435-Q460 HydrophobicContact CZ3-CG 4.5Å |
| 436 | K | 89.6 | Confident | 85 | Confident | 130 Ų | 130 | 71.8 Ų | 71.8 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.1 | 166.7 | -66.8 | -174.6 | 176.5 | -170.9 | 0 | 108.8 | R426 Y427 | R426-K436 CarbonylContact C-O 3.57Å; R426-K436 WeakPolarHBondContact CA-O 3.04Å; Y427-K436 HydrophobicContact CD1-CB 3.86Å; Y427-K436 HydrophobicContact CD2-CB 4.46Å; Y427-K436 HydrophobicContact CE1-CB 3.42Å; Y427-K436 VanDerWaalsContact CE1-CB 3.42Å; Y427-K436 HydrophobicContact CE1-CD 4.24Å; Y427-K436 HydrophobicContact CE1-CG 4.47Å; Y427-K436 HydrophobicContact CE2-CB 4.12Å; Y427-K436 HydrophobicContact CE2-CD 3.77Å; Y427-K436 HydrophobicContact CE2-CG 4.46Å; Y427-K436 HydrophobicContact CG-CB 4.36Å; Y427-K436 PolarHBondContact N-O 2.94Å; Y427-K436 PolarHBondContact O-N 3.34Å; Y427-K436 VanDerWaalsContact OH-CD 3.28Å; Y427-K436 WeakPolarHBondContact OH-CD 2.89Å |
| 437 | V | 90.9 | Very high | 84.7 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.6 | -175.8 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | Q424 L425 R426 | Q424-V437 VanDerWaalsContact CD-CG1 3.44Å; Q424-V437 HydrophobicContact CG-CG1 3.42Å; Q424-V437 VanDerWaalsContact CG-CG1 3.42Å; L425-V437 CarbonylContact O-C 3.58Å; L425-V437 WeakPolarHBondContact O-CA 3.26Å; R426-V437 HydrophobicContact CB-CG2 4.17Å |
| 438 | L | 88.8 | Confident | 84.5 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.5 | 177.7 | -62.2 | 173.4 | 0 | 0 | 0 | 108.6 | L425 Y427 P440 L449 | L425-L438 HydrophobicContact CB-CB 4.42Å; L425-L438 HydrophobicContact CD2-CD1 4.28Å; L425-L438 PolarHBondContact N-O 3.22Å; L425-L438 PolarHBondContact O-N 3.21Å; Y427-L438 HydrophobicContact CD1-CD1 4.1Å; Y427-L438 HydrophobicContact CD1-CG 4.46Å; Y427-L438 HydrophobicContact CE1-CD1 3.71Å; Y427-L438 HydrophobicContact CE1-CG 4.01Å; L438-P440 WeakPolarHBondContact O-CD 3.31Å; L438-L449 HydrophobicContact CD1-CD1 3.43Å; L438-L449 VanDerWaalsContact CD1-CD1 3.43Å |
| 439 | E | 87.8 | Confident | 84.3 | Confident | 136 Ų | 136 | 70.2 Ų | 70.2 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | trans | -115.5 | 99.8 | 178.1 | -67.3 | -171.8 | 164 | 0 | 0 | 108.5 | Q424 | Q424-E439 HydrophobicContact CG-CG 4.09Å; Q424-E439 PolarHBondContact NE2-OE1 3.09Å | ||
| 440 | P | 85.3 | Confident | 84.4 | Confident | 10 Ų | 10 | 71.8 Ų | 71.8 | 7% | 0.065 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -60 | 155.4 | 171.8 | -21.9 | 33.4 | 0 | 0 | 0 | 111.3 | W410 Y423 L438 A444 W632 | W410-P440 HydrophobicContact CH2-CB 4.12Å; W410-P440 HydrophobicContact CH2-CG 3.8Å; W410-P440 HydrophobicContact CZ2-CB 4.11Å; W410-P440 HydrophobicContact CZ2-CG 4.08Å; Y423-P440 WeakPolarHBondContact O-CD 3.11Å; L438-P440 WeakPolarHBondContact O-CD 3.31Å; P440-A444 HydrophobicContact CB-CB 3.89Å; P440-W632 HydrophobicContact CB-CD2 4.19Å; P440-W632 HydrophobicContact CB-CE3 3.93Å; P440-W632 HydrophobicContact CB-CH2 4.21Å; P440-W632 HydrophobicContact CB-CZ2 4.37Å; P440-W632 HydrophobicContact CB-CZ3 4Å; P440-W632 HydrophobicContact CG-CE3 4.34Å; P440-W632 HydrophobicContact CG-CH2 3.8Å; P440-W632 HydrophobicContact CG-CZ2 4.21Å; P440-W632 HydrophobicContact CG-CZ3 3.89Å |
| 441 | P | 81.3 | Confident | 84.5 | Confident | 42 Ų | 42 | 68.5 Ų | 68.5 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 156.6 | 174.7 | 24.7 | -30.4 | 0 | 0 | 0 | 111.6 | G443 A444 W632 | P441-G443 PolarHBondContact O-N 2.89Å; P441-A444 HydrophobicContact CG-CB 4.14Å; P441-A444 VanDerWaalsContact O-CB 3.25Å; P441-A444 WeakPolarHBondContact O-CB 3.38Å; P441-A444 PolarHBondContact O-N 2.96Å; P441-A444 VanDerWaalsContact O-N 3.08Å; P441-W632 HydrophobicContact CG-CB 3.65Å; P441-W632 HydrophobicContact CG-CG 3.88Å |
| 442 | L | 81.8 | Confident | 84.9 | Confident | 101 Ų | 101 | 73.7 Ų | 73.7 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 128.1 | 177 | -83.5 | 158.7 | 0 | 0 | 0 | 111.2 | C422 A444 | C422-L442 WeakPolarHBondContact SG-CD2 3.45Å; L442-A444 PolarHBondContact O-N 3.5Å |
| 443 | G | 77 | Confident | 85 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 13% | 0.134 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 14.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | A418 T421 P441 R445 | A418-G443 WeakPolarHBondContact O-CA 3.43Å; T421-G443 PolarHBondContact O-N 3.13Å; P441-G443 PolarHBondContact O-N 2.89Å; G443-R445 PolarHBondContact O-N 3.41Å |
| 444 | A | 82.8 | Confident | 85 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | trans | -55.9 | 138.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | W410 Y423 P440 P441 L442 | W410-A444 HydrophobicContact CZ2-CB 3.85Å; W410-A444 PolarHBondContact NE1-O 2.84Å; Y423-A444 VanDerWaalsContact CE2-O 3.23Å; Y423-A444 WeakPolarHBondContact CE2-O 3.34Å; P440-A444 HydrophobicContact CB-CB 3.89Å; P441-A444 HydrophobicContact CG-CB 4.14Å; P441-A444 VanDerWaalsContact O-CB 3.25Å; P441-A444 WeakPolarHBondContact O-CB 3.38Å; P441-A444 PolarHBondContact O-N 2.96Å; P441-A444 VanDerWaalsContact O-N 3.08Å; L442-A444 PolarHBondContact O-N 3.5Å | ||
| 445 | R | 81.7 | Confident | 85 | Confident | 171 Ų | 171 | 67.1 Ų | 67.1 | 65% | 0.645 | 32% | 0.317 | S | S | * | . | trans | -100.1 | -7 | 176 | -63.7 | -177.6 | 178.6 | -176.3 | 0.6 | 113.2 | W410 G443 | W410-R445 PolarHBondContact N-O 2.73Å; G443-R445 PolarHBondContact O-N 3.41Å | ||
| 446 | G | 84.8 | Confident | 85 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 8% | 0.082 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.3 | 178.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L408 | L408-G446 CarbonylContact O-C 3.42Å; L408-G446 WeakPolarHBondContact O-CA 2.99Å |
| 447 | G | 86.2 | Confident | 85 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | -171.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L408 Y631 W632 | L408-G447 PolarHBondContact N-O 3.18Å; L408-G447 PolarHBondContact O-N 3.46Å; G447-Y631 WeakPolarHBondContact CA-O 3.33Å; G447-W632 VanDerWaalsContact CA-CE3 3.5Å |
| 448 | T | 86.8 | Confident | 85 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.7 | -174.4 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | I401 L406 E407 S630 Y631 | I401-T448 HydrophobicContact CD1-CG2 4.37Å; L406-T448 CarbonylContact O-C 3.57Å; L406-T448 VanDerWaalsContact O-CA 3.29Å; L406-T448 WeakPolarHBondContact O-CA 3.5Å; E407-T448 HydrophobicContact CG-CG2 4.49Å; T448-S630 WeakPolarHBondContact O-CA 3.32Å; T448-S630 VanDerWaalsContact O-CB 3.25Å; T448-S630 WeakPolarHBondContact O-CB 3.49Å; T448-Y631 PolarHBondContact N-O 3.45Å; T448-Y631 PolarHBondContact OG1-N 2.93Å; T448-Y631 PolarHBondContact OG1-O 2.97Å |
| 449 | L | 88.1 | Confident | 85.1 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 117.4 | 177.5 | -179.7 | 66.5 | 0 | 0 | 0 | 109.7 | L406 L408 L425 Y427 L438 L451 L459 | L406-L449 HydrophobicContact CB-CB 4.47Å; L406-L449 PolarHBondContact N-O 2.96Å; L406-L449 PolarHBondContact O-N 2.78Å; L408-L449 HydrophobicContact CD1-CB 3.89Å; L408-L449 HydrophobicContact CD1-CD2 4.23Å; L408-L449 HydrophobicContact CG-CB 4.39Å; L425-L449 HydrophobicContact CD2-CD2 4.4Å; Y427-L449 HydrophobicContact CD1-CD1 4.49Å; Y427-L449 HydrophobicContact CD1-CD2 4.43Å; Y427-L449 HydrophobicContact CE1-CD1 4.21Å; Y427-L449 HydrophobicContact CG-CD2 4.38Å; L438-L449 HydrophobicContact CD1-CD1 3.43Å; L438-L449 VanDerWaalsContact CD1-CD1 3.43Å; L449-L451 HydrophobicContact CD1-CD2 4.33Å; L449-L451 HydrophobicContact CD2-CD1 4.11Å; L449-L451 HydrophobicContact CD2-CD2 3.91Å; L449-L451 HydrophobicContact CD2-CG 4.06Å; L449-L451 HydrophobicContact CG-CD2 3.91Å; L449-L451 HydrophobicContact CG-CG 4Å; L449-L459 HydrophobicContact CD2-CD2 3.62Å |
| 450 | E | 87.9 | Confident | 85.3 | Confident | 49 Ų | 49 | 58 Ų | 58 | 23% | 0.229 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.8 | 173.8 | -34.6 | 175.5 | 151.9 | 0 | 0 | 110.2 | G404 H405 P628 L629 | G404-E450 CarbonylContact O-C 3.59Å; G404-E450 WeakPolarHBondContact O-CA 3.1Å; H405-E450 IonicContact CD2-OE1 2.82Å; H405-E450 IonicContact NE2-OE1 3.75Å; H405-E450 PolarHBondContact NE2-OE1 2.83Å; E450-P628 HydrophobicContact CB-CB 3.56Å; E450-P628 HydrophobicContact CG-CB 4.04Å; E450-P628 WeakPolarHBondContact O-CB 3.37Å; E450-P628 WeakPolarHBondContact OE2-CA 3.49Å; E450-L629 VanDerWaalsContact CD-N 3.29Å; E450-L629 WeakPolarHBondContact CG-O 3.44Å; E450-L629 PolarHBondContact OE2-N 3.5Å |
| 451 | L | 86.5 | Confident | 85.6 | Confident | 17 Ų | 17 | 57.5 Ų | 57.5 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | trans | -124.8 | 163.2 | -179.9 | -63.1 | -174.5 | 0 | 0 | 0 | 109.9 | G404 L406 Y427 L449 P453 Y457 T485 | G404-L451 WeakPolarHBondContact CA-O 3.44Å; G404-L451 PolarHBondContact O-N 2.8Å; L406-L451 HydrophobicContact CD1-CD1 3.3Å; L406-L451 HydrophobicContact CD1-CG 3.95Å; Y427-L451 HydrophobicContact CD2-CD2 3.62Å; Y427-L451 HydrophobicContact CE2-CD2 3.47Å; Y427-L451 VanDerWaalsContact CE2-CD2 3.47Å; Y427-L451 HydrophobicContact CG-CD2 4.46Å; L449-L451 HydrophobicContact CD1-CD2 4.33Å; L449-L451 HydrophobicContact CD2-CD1 4.11Å; L449-L451 HydrophobicContact CD2-CD2 3.91Å; L449-L451 HydrophobicContact CD2-CG 4.06Å; L449-L451 HydrophobicContact CG-CD2 3.91Å; L449-L451 HydrophobicContact CG-CG 4Å; L451-P453 WeakPolarHBondContact O-CD 3.31Å; L451-Y457 HydrophobicContact CB-CD2 4.07Å; L451-Y457 HydrophobicContact CB-CE2 3.67Å; L451-Y457 HydrophobicContact CD1-CD1 4.15Å; L451-Y457 HydrophobicContact CD1-CD2 3.52Å; L451-Y457 HydrophobicContact CD1-CE2 4Å; L451-Y457 HydrophobicContact CD1-CG 3.59Å; L451-Y457 HydrophobicContact CD2-CD1 4.35Å; L451-Y457 HydrophobicContact CD2-CE1 4.25Å; L451-Y457 HydrophobicContact CG-CD2 4.31Å; L451-Y457 HydrophobicContact CG-CE2 4.31Å; L451-T485 HydrophobicContact CB-CG2 4.36Å | ||
| 452 | R | 83.8 | Confident | 86.1 | Confident | 182 Ų | 182 | 58 Ų | 58 | 69% | 0.687 | 26% | 0.256 | S | S | * | . | trans | -67 | 129.4 | 177.3 | -170.9 | 178.2 | -72.9 | 171.8 | -3.8 | 109.4 | S455 Y457 T485 | R452-S455 WeakPolarHBondContact O-CB 3.28Å; R452-Y457 WeakPolarHBondContact CB-OH 3.26Å; R452-Y457 PolarHBondContact N-OH 2.78Å; R452-T485 PolarHBondContact O-OG1 2.88Å | ||
| 453 | P | 81.1 | Confident | 86.5 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 154.1 | 174.6 | -23.7 | 33 | 0 | 0 | 0 | 112.3 | L451 S455 T485 | L451-P453 WeakPolarHBondContact O-CD 3.31Å; P453-S455 PolarHBondContact O-N 2.75Å; P453-S455 PolarHBondContact O-OG 2.89Å; P453-T485 VanDerWaalsContact C-OG1 3.3Å; P453-T485 WeakPolarHBondContact CA-OG1 3.31Å |
| 454 | R | 79.8 | Confident | 87.1 | Confident | 203 Ų | 203 | 56.1 Ų | 56.1 | 77% | 0.766 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 25.9 | 176.7 | -48.9 | 177.4 | 72.8 | 175.7 | 3.5 | 114.3 | T485 T487 | R454-T485 WeakPolarHBondContact CA-O 3.49Å; R454-T485 PolarHBondContact N-O 3.08Å; R454-T485 PolarHBondContact N-OG1 2.82Å; R454-T487 HydrophobicContact CG-CG2 3.76Å |
| 455 | S | 84 | Confident | 87.4 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | trans | -124.8 | 151.1 | -179.2 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | R452 P453 T485 | R452-S455 WeakPolarHBondContact O-CB 3.28Å; P453-S455 PolarHBondContact O-N 2.75Å; P453-S455 PolarHBondContact O-OG 2.89Å; S455-T485 PolarHBondContact N-OG1 3.03Å; S455-T485 VanDerWaalsContact N-OG1 3.11Å; S455-T485 PolarHBondContact O-N 3.42Å; S455-T485 PolarHBondContact O-OG1 3.04Å; S455-T485 VanDerWaalsContact O-OG1 3.13Å | ||
| 456 | R | 88.4 | Confident | 87.7 | Confident | 136 Ų | 136 | 51.4 Ų | 51.4 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.6 | 179.2 | -66.6 | -178.6 | 168.6 | 167.2 | -4.3 | 110.6 | E430 V483 E484 | E430-R456 HydrophobicContact CB-CB 3.78Å; E430-R456 PolarHBondContact N-O 2.75Å; E430-R456 WeakPolarHBondContact OE2-CD 3.29Å; E430-R456 IonicContact OE2-NE 3.41Å; E430-R456 IonicContact OE2-NH1 3.02Å; R456-V483 WeakPolarHBondContact CA-O 3.41Å; R456-E484 HydrophobicContact CG-CG 4.12Å; R456-E484 IonicContact CZ-OE1 2.66Å; R456-E484 IonicContact NE-OE1 3.2Å; R456-E484 PolarHBondContact NE-OE1 3.34Å; R456-E484 IonicContact NH2-OE1 3.28Å; R456-E484 PolarHBondContact NH2-OE1 2.92Å |
| 457 | Y | 89.9 | Confident | 87.6 | Confident | 33 Ų | 33 | 51.5 Ų | 51.5 | 13% | 0.129 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 154.5 | -178.8 | -66.4 | -88 | 0 | 0 | 0 | 111.5 | Y427 T428 L451 R452 R482 V483 | Y427-Y457 HydrophobicContact CD2-CD1 4.29Å; T428-Y457 CarbonylContact O-C 3.57Å; T428-Y457 VanDerWaalsContact O-CA 3.27Å; T428-Y457 WeakPolarHBondContact O-CA 2.92Å; L451-Y457 HydrophobicContact CB-CD2 4.07Å; L451-Y457 HydrophobicContact CB-CE2 3.67Å; L451-Y457 HydrophobicContact CD1-CD1 4.15Å; L451-Y457 HydrophobicContact CD1-CD2 3.52Å; L451-Y457 HydrophobicContact CD1-CE2 4Å; L451-Y457 HydrophobicContact CD1-CG 3.59Å; L451-Y457 HydrophobicContact CD2-CD1 4.35Å; L451-Y457 HydrophobicContact CD2-CE1 4.25Å; L451-Y457 HydrophobicContact CG-CD2 4.31Å; L451-Y457 HydrophobicContact CG-CE2 4.31Å; R452-Y457 WeakPolarHBondContact CB-OH 3.26Å; R452-Y457 PolarHBondContact N-OH 2.78Å; Y457-R482 WeakPolarHBondContact O-CA 3.32Å; Y457-V483 PolarHBondContact N-O 2.71Å; Y457-V483 PolarHBondContact O-N 3.05Å |
| 458 | R | 90.9 | Very high | 87.4 | Confident | 92 Ų | 92 | 56.9 Ų | 56.9 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132 | 168.5 | -62.7 | -179 | -165.5 | 144.5 | 4.5 | 108.8 | Y427 T428 E430 W435 A481 | Y427-R458 CarbonylContact C-O 3.27Å; Y427-R458 WeakPolarHBondContact CA-O 3.37Å; T428-R458 HydrophobicContact CG2-CB 4.16Å; T428-R458 PolarHBondContact N-O 2.74Å; T428-R458 PolarHBondContact O-N 3.48Å; E430-R458 IonicContact OE1-NH2 2.73Å; W435-R458 HydrophobicContact CH2-CB 4.07Å; W435-R458 HydrophobicContact CZ3-CB 4.42Å; W435-R458 WeakPolarHBondContact CZ3-O 3.46Å; R458-A481 CarbonylContact C-O 3.59Å; R458-A481 WeakPolarHBondContact CA-O 3.23Å |
| 459 | L | 91.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.7 | 177.7 | -57.9 | 88.4 | 0 | 0 | 0 | 110.4 | L396 L408 L425 R426 L449 P480 A481 V483 | L396-L459 HydrophobicContact CD2-CB 3.87Å; L408-L459 HydrophobicContact CD1-CD2 4.34Å; L408-L459 HydrophobicContact CD2-CD2 4.05Å; L425-L459 HydrophobicContact CD1-CB 4.46Å; L425-L459 HydrophobicContact CD1-CD2 4.45Å; R426-L459 CarbonylContact O-C 3.39Å; R426-L459 WeakPolarHBondContact O-CA 3.41Å; L449-L459 HydrophobicContact CD2-CD2 3.62Å; L459-P480 WeakPolarHBondContact O-CA 3.38Å; L459-A481 HydrophobicContact CB-CB 4.49Å; L459-A481 PolarHBondContact N-O 3.46Å; L459-A481 PolarHBondContact O-N 2.94Å; L459-V483 HydrophobicContact CD1-CB 3.82Å; L459-V483 HydrophobicContact CD1-CG2 3.18Å |
| 460 | Q | 92.5 | Very high | 87 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 11% | 0.107 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 143.6 | 172.3 | -67.2 | -177.6 | -66.7 | 0 | 0 | 110.2 | L425 R426 W435 W477 S478 P480 | L425-Q460 WeakPolarHBondContact CA-O 3.26Å; R426-Q460 HydrophobicContact CG-CB 3.94Å; R426-Q460 PolarHBondContact N-O 2.93Å; R426-Q460 PolarHBondContact O-N 2.84Å; W435-Q460 HydrophobicContact CH2-CG 4.28Å; W435-Q460 HydrophobicContact CZ3-CG 4.5Å; Q460-W477 HydrophobicContact CB-CB 4.41Å; Q460-W477 HydrophobicContact CB-CD2 4.46Å; Q460-W477 HydrophobicContact CB-CE3 3.77Å; Q460-W477 HydrophobicContact CB-CZ3 4.47Å; Q460-S478 WeakPolarHBondContact CG-O 3.48Å; Q460-S478 PolarHBondContact NE2-O 3.18Å; Q460-P480 HydrophobicContact CG-CB 4.18Å |
| 461 | L | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143 | -179.6 | -172.4 | 69.2 | 0 | 0 | 0 | 109.5 | P394 L396 W410 Y423 L425 S478 | P394-L461 HydrophobicContact CB-CD2 3.9Å; P394-L461 HydrophobicContact CB-CG 4.45Å; P394-L461 HydrophobicContact CG-CB 4.18Å; P394-L461 HydrophobicContact CG-CD2 3.76Å; P394-L461 HydrophobicContact CG-CG 3.76Å; L396-L461 HydrophobicContact CB-CB 4.24Å; L396-L461 HydrophobicContact CB-CD2 4.43Å; L396-L461 HydrophobicContact CD1-CD2 4.22Å; L396-L461 HydrophobicContact CD2-CB 4.4Å; W410-L461 HydrophobicContact CB-CD2 3.55Å; W410-L461 HydrophobicContact CD2-CD2 3.77Å; W410-L461 HydrophobicContact CE3-CD2 4.03Å; W410-L461 HydrophobicContact CG-CD2 3.58Å; Y423-L461 HydrophobicContact CD1-CD1 4.25Å; Y423-L461 HydrophobicContact CD1-CD2 4.22Å; Y423-L461 HydrophobicContact CD1-CG 4.28Å; L425-L461 HydrophobicContact CB-CD1 4.09Å; L425-L461 HydrophobicContact CD1-CD1 4.21Å; L461-S478 PolarHBondContact N-OG 2.98Å; L461-S478 WeakPolarHBondContact O-CB 3.44Å; L461-S478 PolarHBondContact O-N 2.91Å |
| 462 | R | 91.6 | Very high | 87.2 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 159 | 167.1 | 66.5 | 176.6 | -179.5 | 171.6 | 1.1 | 110.7 | Y423 Q424 W474 S475 W477 | Y423-R462 WeakPolarHBondContact CA-O 3.35Å; Q424-R462 HydrophobicContact CB-CG 3.95Å; Q424-R462 PolarHBondContact N-O 3.13Å; Q424-R462 PolarHBondContact O-N 3.32Å; R462-W474 HydrophobicContact CG-CE3 3.77Å; R462-W474 HydrophobicContact CG-CZ3 4.11Å; R462-S475 WeakPolarHBondContact CA-OG 3.46Å; R462-W477 HydrophobicContact CB-CD2 4.25Å; R462-W477 HydrophobicContact CB-CE3 3.91Å; R462-W477 HydrophobicContact CB-CZ3 4.16Å; R462-W477 HydrophobicContact CG-CD2 4.23Å; R462-W477 HydrophobicContact CG-CE3 3.87Å; R462-W477 HydrophobicContact CG-CH2 3.78Å; R462-W477 HydrophobicContact CG-CZ2 4.14Å; R462-W477 HydrophobicContact CG-CZ3 3.63Å; R462-W477 VanDerWaalsContact NE-CZ2 3.28Å |
| 463 | A | 89.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L391 P394 T421 C422 Y423 S475 | L391-A463 HydrophobicContact CD1-CB 4.01Å; P394-A463 HydrophobicContact CG-CB 4.2Å; T421-A463 HydrophobicContact CG2-CB 3.94Å; C422-A463 CarbonylContact O-C 3.6Å; C422-A463 WeakPolarHBondContact O-CA 3.45Å; Y423-A463 HydrophobicContact CD1-CB 3.79Å; Y423-A463 HydrophobicContact CE1-CB 3.66Å; A463-S475 PolarHBondContact N-OG 3.26Å; A463-S475 WeakPolarHBondContact O-CB 3.42Å; A463-S475 PolarHBondContact O-N 3.41Å; A463-S475 PolarHBondContact O-OG 2.91Å |
| 464 | R | 90.1 | Very high | 87.9 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 28% | 0.275 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.7 | 166.8 | 77.3 | 179 | -133.8 | -165.3 | 2.2 | 110.7 | T421 C422 N466 W474 | T421-R464 CarbonylContact C-O 3.5Å; T421-R464 WeakPolarHBondContact CA-O 3.37Å; C422-R464 HydrophobicContact CB-CG 3.99Å; C422-R464 PolarHBondContact N-O 2.9Å; C422-R464 PolarHBondContact O-N 3.21Å; R464-N466 VanDerWaalsContact NH2-CG 3.27Å; R464-N466 PolarHBondContact NH2-OD1 2.88Å; R464-W474 HydrophobicContact CB-CD2 3.9Å; R464-W474 HydrophobicContact CB-CE3 3.61Å; R464-W474 HydrophobicContact CB-CG 4.37Å; R464-W474 HydrophobicContact CB-CZ3 4.02Å; R464-W474 HydrophobicContact CG-CD2 4.01Å; R464-W474 HydrophobicContact CG-CE3 3.77Å; R464-W474 HydrophobicContact CG-CH2 3.94Å; R464-W474 HydrophobicContact CG-CZ2 4.2Å; R464-W474 HydrophobicContact CG-CZ3 3.72Å |
| 465 | L | 88.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.4 | 167.3 | -73.4 | 164.1 | 0 | 0 | 0 | 109.9 | V389 L391 W416 A417 E420 T421 G472 | V389-L465 HydrophobicContact CB-CD1 3.78Å; V389-L465 HydrophobicContact CG1-CD1 3.63Å; L391-L465 HydrophobicContact CD1-CD2 4.4Å; L391-L465 HydrophobicContact CD1-CG 3.92Å; L391-L465 HydrophobicContact CD2-CD1 3.9Å; L391-L465 HydrophobicContact CD2-CG 4.17Å; L391-L465 HydrophobicContact CG-CD1 4.12Å; L391-L465 HydrophobicContact CG-CG 4Å; W416-L465 HydrophobicContact CH2-CD1 4.15Å; W416-L465 HydrophobicContact CZ3-CD1 4.44Å; A417-L465 HydrophobicContact CB-CD1 4.45Å; A417-L465 HydrophobicContact CB-CD2 3.67Å; E420-L465 HydrophobicContact CB-CD2 4.24Å; T421-L465 WeakPolarHBondContact OG1-CD2 3.02Å; L465-G472 PolarHBondContact O-N 2.97Å |
| 466 | N | 87.1 | Confident | 88.6 | Confident | 71 Ų | 71 | 50.5 Ų | 50.5 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -144.1 | 48.8 | -179 | -163.3 | 46.8 | 0 | 0 | 0 | 110.7 | E420 C422 R464 | E420-N466 PolarHBondContact O-N 3.39Å; C422-N466 HydrophobicContact CB-CB 4.48Å; C422-N466 VanDerWaalsContact SG-CB 3.59Å; R464-N466 VanDerWaalsContact NH2-CG 3.27Å; R464-N466 PolarHBondContact NH2-OD1 2.88Å |
| 467 | G | 83.3 | Confident | 88.8 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -104.2 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T469 Y470 Q471 | G467-T469 VanDerWaalsContact C-N 3.29Å; G467-Y470 PolarHBondContact N-O 3.44Å; G467-Q471 VanDerWaalsContact O-CG 3.24Å; G467-Q471 WeakPolarHBondContact O-CG 3.24Å; G467-Q471 PolarHBondContact O-NE2 2.88Å |
| 468 | P | 81.2 | Confident | 88.8 | Confident | 120 Ų | 120 | 45.9 Ų | 45.9 | 78% | 0.779 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -69.3 | -29.8 | 170.3 | 29.6 | -34.3 | 0 | 0 | 0 | 112 | ||
| 469 | T | 82.2 | Confident | 88.6 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -92 | -47.2 | -175.1 | -38.4 | 0 | 0 | 0 | 0 | 111.7 | H386 E420 G467 | H386-T469 PolarHBondContact CD2-O 2.87Å; E420-T469 WeakPolarHBondContact OE1-CB 3.36Å; E420-T469 PolarHBondContact OE1-OG1 3.05Å; G467-T469 VanDerWaalsContact C-N 3.29Å |
| 470 | Y | 85.1 | Confident | 88.5 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 26% | 0.263 | 28% | 0.28 | S | S | . | . | trans | -125 | 136.4 | -179.5 | -61.1 | -84.3 | 0 | 0 | 0 | 111.9 | L296 H386 V389 W416 E420 G467 | L296-Y470 HydrophobicContact CD1-CD1 4.42Å; L296-Y470 HydrophobicContact CD1-CE1 3.69Å; L296-Y470 HydrophobicContact CD2-CD1 4.2Å; L296-Y470 HydrophobicContact CD2-CE1 3.94Å; L296-Y470 HydrophobicContact CG-CE1 4.49Å; H386-Y470 HydrophobicContact CB-CD1 3.65Å; H386-Y470 HydrophobicContact CB-CE1 3.86Å; H386-Y470 CarbonylContact O-C 3.58Å; H386-Y470 VanDerWaalsContact O-CA 3.31Å; H386-Y470 WeakPolarHBondContact O-CA 3.25Å; V389-Y470 HydrophobicContact CG2-CD1 4.15Å; W416-Y470 HydrophobicContact CE3-CD2 4.11Å; W416-Y470 AromaticContact CE3-CE2 3.95Å; W416-Y470 HydrophobicContact CE3-CE2 3.95Å; W416-Y470 HydrophobicContact CH2-CD1 4.33Å; W416-Y470 HydrophobicContact CH2-CE1 4.49Å; W416-Y470 HydrophobicContact CH2-CG 4.36Å; W416-Y470 HydrophobicContact CZ3-CD1 4.03Å; W416-Y470 AromaticContact CZ3-CD2 3.52Å; W416-Y470 HydrophobicContact CZ3-CD2 3.52Å; W416-Y470 HydrophobicContact CZ3-CE1 4.16Å; W416-Y470 AromaticContact CZ3-CE2 3.65Å; W416-Y470 HydrophobicContact CZ3-CE2 3.65Å; W416-Y470 AromaticContact CZ3-CG 3.71Å; W416-Y470 HydrophobicContact CZ3-CG 3.71Å; W416-Y470 AromaticContact CZ3-CZ 3.98Å; E420-Y470 PolarHBondContact OE2-N 3.33Å; E420-Y470 VanDerWaalsContact OE2-N 3.09Å; G467-Y470 PolarHBondContact N-O 3.44Å | ||
| 471 | Q | 89.1 | Confident | 88.3 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -133.8 | 162.9 | 175.3 | -58.9 | 178.8 | 21.4 | 0 | 0 | 109.5 | H386 Q387 A388 V389 G467 | H386-Q471 PolarHBondContact O-N 3.26Å; H386-Q471 VanDerWaalsContact O-O 3.05Å; Q387-Q471 CarbonylContact C-O 3.48Å; Q387-Q471 WeakPolarHBondContact CA-O 3.42Å; Q387-Q471 HydrophobicContact CB-CB 4.44Å; Q387-Q471 CarbonylContact O-C 3.44Å; Q387-Q471 VanDerWaalsContact O-C 3.27Å; A388-Q471 PolarHBondContact N-O 2.74Å; V389-Q471 PolarHBondContact N-O 3.32Å; G467-Q471 VanDerWaalsContact O-CG 3.24Å; G467-Q471 WeakPolarHBondContact O-CG 3.24Å; G467-Q471 PolarHBondContact O-NE2 2.88Å |
| 472 | G | 89 | Confident | 88.1 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | trans | 175.2 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q387 V389 L465 | Q387-G472 WeakPolarHBondContact O-CA 2.86Å; V389-G472 WeakPolarHBondContact O-CA 3.48Å; L465-G472 PolarHBondContact O-N 2.97Å | ||
| 473 | P | 90.2 | Very high | 87.9 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 162.3 | -179.3 | 30.1 | -35.1 | 0 | 0 | 0 | 111.9 | F292 R390 | F292-P473 HydrophobicContact CB-CG 4.2Å; R390-P473 HydrophobicContact CB-CG 4.08Å; R390-P473 HydrophobicContact CG-CG 4.31Å |
| 474 | W | 90.4 | Very high | 87.7 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 27% | 0.265 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 140.6 | 170.1 | -70.8 | 105.7 | 0 | 0 | 0 | 111.4 | C422 Q424 R462 R464 | C422-W474 HydrophobicContact CB-CH2 4.43Å; Q424-W474 HydrophobicContact CB-CH2 3.83Å; Q424-W474 HydrophobicContact CB-CZ3 3.89Å; R462-W474 HydrophobicContact CG-CE3 3.77Å; R462-W474 HydrophobicContact CG-CZ3 4.11Å; R464-W474 HydrophobicContact CB-CD2 3.9Å; R464-W474 HydrophobicContact CB-CE3 3.61Å; R464-W474 HydrophobicContact CB-CG 4.37Å; R464-W474 HydrophobicContact CB-CZ3 4.02Å; R464-W474 HydrophobicContact CG-CD2 4.01Å; R464-W474 HydrophobicContact CG-CE3 3.77Å; R464-W474 HydrophobicContact CG-CH2 3.94Å; R464-W474 HydrophobicContact CG-CZ2 4.2Å; R464-W474 HydrophobicContact CG-CZ3 3.72Å |
| 475 | S | 90.1 | Very high | 87.3 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 162.3 | 164.9 | 76.3 | 0 | 0 | 0 | 0 | 110.5 | L391 R462 A463 | L391-S475 WeakPolarHBondContact O-CB 2.92Å; R462-S475 WeakPolarHBondContact CA-OG 3.46Å; A463-S475 PolarHBondContact N-OG 3.26Å; A463-S475 WeakPolarHBondContact O-CB 3.42Å; A463-S475 PolarHBondContact O-N 3.41Å; A463-S475 PolarHBondContact O-OG 2.91Å |
| 476 | S | 88.8 | Confident | 86.7 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 156.4 | 161.2 | 37.5 | 0 | 0 | 0 | 0 | 110.3 | T393 | T393-S476 WeakPolarHBondContact CG2-OG 3.49Š|
| 477 | W | 90.7 | Very high | 85.7 | Confident | 61 Ų | 61 | 63 Ų | 63 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 140.3 | 170.5 | -69.9 | 101.7 | 0 | 0 | 0 | 109.8 | Q424 R426 Q460 R462 | Q424-W477 HydrophobicContact CG-CH2 4.27Å; Q424-W477 WeakPolarHBondContact O-CZ3 3.42Å; R426-W477 HydrophobicContact CB-CH2 4.03Å; R426-W477 HydrophobicContact CB-CZ3 4.09Å; R426-W477 HydrophobicContact CG-CE3 3.95Å; R426-W477 HydrophobicContact CG-CH2 3.75Å; R426-W477 HydrophobicContact CG-CZ2 4.36Å; R426-W477 HydrophobicContact CG-CZ3 3.51Å; R426-W477 VanDerWaalsContact CZ-CE2 3.47Å; Q460-W477 HydrophobicContact CB-CB 4.41Å; Q460-W477 HydrophobicContact CB-CD2 4.46Å; Q460-W477 HydrophobicContact CB-CE3 3.77Å; Q460-W477 HydrophobicContact CB-CZ3 4.47Å; R462-W477 HydrophobicContact CB-CD2 4.25Å; R462-W477 HydrophobicContact CB-CE3 3.91Å; R462-W477 HydrophobicContact CB-CZ3 4.16Å; R462-W477 HydrophobicContact CG-CD2 4.23Å; R462-W477 HydrophobicContact CG-CE3 3.87Å; R462-W477 HydrophobicContact CG-CH2 3.78Å; R462-W477 HydrophobicContact CG-CZ2 4.14Å; R462-W477 HydrophobicContact CG-CZ3 3.63Å; R462-W477 VanDerWaalsContact NE-CZ2 3.28Å |
| 478 | S | 90.9 | Very high | 84.9 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 8% | 0.077 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 162.4 | 170.3 | 73.3 | 0 | 0 | 0 | 0 | 111.2 | Q460 L461 | Q460-S478 WeakPolarHBondContact CG-O 3.48Å; Q460-S478 PolarHBondContact NE2-O 3.18Å; L461-S478 PolarHBondContact N-OG 2.98Å; L461-S478 WeakPolarHBondContact O-CB 3.44Å; L461-S478 PolarHBondContact O-N 2.91Å |
| 479 | D | 87.8 | Confident | 84.1 | Confident | 148 Ų | 148 | 65.6 Ų | 65.6 | 79% | 0.791 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 143.7 | 169.2 | -67.8 | -43.6 | 0 | 0 | 0 | 110.7 | A481 | D479-A481 PolarHBondContact O-N 3.47Å; D479-A481 VanDerWaalsContact O-N 3.08Å |
| 480 | P | 88.5 | Confident | 83.5 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | trans | -68.1 | 109.7 | -176.4 | 26.8 | -33.2 | 0 | 0 | 0 | 110.9 | L459 Q460 R482 | L459-P480 WeakPolarHBondContact O-CA 3.38Å; Q460-P480 HydrophobicContact CG-CB 4.18Å; P480-R482 PolarHBondContact O-N 2.82Å | ||
| 481 | A | 87.9 | Confident | 82.8 | Confident | 18 Ų | 18 | 69 Ų | 69 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 121.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L396 R458 L459 D479 | L396-A481 HydrophobicContact CD2-CB 4.2Å; R458-A481 CarbonylContact C-O 3.59Å; R458-A481 WeakPolarHBondContact CA-O 3.23Å; L459-A481 HydrophobicContact CB-CB 4.49Å; L459-A481 PolarHBondContact N-O 3.46Å; L459-A481 PolarHBondContact O-N 2.94Å; D479-A481 PolarHBondContact O-N 3.47Å; D479-A481 VanDerWaalsContact O-N 3.08Å |
| 482 | R | 88.5 | Confident | 82.1 | Confident | 194 Ų | 194 | 70.4 Ų | 70.4 | 73% | 0.732 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.2 | 176.3 | -72.7 | 177.6 | -78.8 | -178.4 | -3.6 | 109.3 | W398 Y457 P480 | W398-R482 WeakPolarHBondContact CZ2-O 3.38Å; Y457-R482 WeakPolarHBondContact O-CA 3.32Å; P480-R482 PolarHBondContact O-N 2.82Å |
| 483 | V | 87.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.1 | -178.3 | -178.8 | 0 | 0 | 0 | 0 | 110 | W398 L406 R456 Y457 L459 | W398-V483 HydrophobicContact CD2-CG1 4.48Å; W398-V483 HydrophobicContact CD2-CG2 3.72Å; W398-V483 HydrophobicContact CE3-CG1 4.12Å; W398-V483 HydrophobicContact CE3-CG2 4.19Å; W398-V483 HydrophobicContact CG-CG2 4.1Å; W398-V483 HydrophobicContact CH2-CB 4.45Å; W398-V483 HydrophobicContact CH2-CG1 4.06Å; W398-V483 HydrophobicContact CH2-CG2 4.3Å; W398-V483 HydrophobicContact CZ2-CB 4.36Å; W398-V483 HydrophobicContact CZ2-CG1 4.43Å; W398-V483 HydrophobicContact CZ2-CG2 3.85Å; W398-V483 HydrophobicContact CZ3-CG1 3.9Å; W398-V483 HydrophobicContact CZ3-CG2 4.46Å; L406-V483 HydrophobicContact CD1-CB 4.49Å; L406-V483 HydrophobicContact CD1-CG1 3.64Å; L406-V483 HydrophobicContact CD2-CG1 3.53Å; L406-V483 HydrophobicContact CG-CG1 4.21Å; R456-V483 WeakPolarHBondContact CA-O 3.41Å; Y457-V483 PolarHBondContact N-O 2.71Å; Y457-V483 PolarHBondContact O-N 3.05Å; L459-V483 HydrophobicContact CD1-CB 3.82Å; L459-V483 HydrophobicContact CD1-CG2 3.18Å |
| 484 | E | 84.9 | Confident | 81.1 | Confident | 114 Ų | 114 | 76.5 Ų | 76.5 | 53% | 0.533 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.1 | 171.5 | -49.6 | -163.4 | 146 | 0 | 0 | 107.8 | R456 | R456-E484 HydrophobicContact CG-CG 4.12Å; R456-E484 IonicContact CZ-OE1 2.66Å; R456-E484 IonicContact NE-OE1 3.2Å; R456-E484 PolarHBondContact NE-OE1 3.34Å; R456-E484 IonicContact NH2-OE1 3.28Å; R456-E484 PolarHBondContact NH2-OE1 2.92Å |
| 485 | T | 82.4 | Confident | 80.9 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 6% | 0.061 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 127.6 | -178.8 | 47.6 | 0 | 0 | 0 | 0 | 111.1 | E400 L451 R452 P453 R454 S455 | E400-T485 WeakPolarHBondContact OE1-CA 3.49Å; L451-T485 HydrophobicContact CB-CG2 4.36Å; R452-T485 PolarHBondContact O-OG1 2.88Å; P453-T485 VanDerWaalsContact C-OG1 3.3Å; P453-T485 WeakPolarHBondContact CA-OG1 3.31Å; R454-T485 WeakPolarHBondContact CA-O 3.49Å; R454-T485 PolarHBondContact N-O 3.08Å; R454-T485 PolarHBondContact N-OG1 2.82Å; S455-T485 PolarHBondContact N-OG1 3.03Å; S455-T485 VanDerWaalsContact N-OG1 3.11Å; S455-T485 PolarHBondContact O-N 3.42Å; S455-T485 PolarHBondContact O-OG1 3.04Å; S455-T485 VanDerWaalsContact O-OG1 3.13Å |
| 486 | A | 74.5 | Confident | 80.6 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 157.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E400 S403 | E400-A486 VanDerWaalsContact CD-N 3.28Å; E400-A486 PolarHBondContact OE1-N 2.87Å; E400-A486 VanDerWaalsContact OE2-CB 3.27Å; E400-A486 WeakPolarHBondContact OE2-CB 3.29Å; E400-A486 PolarHBondContact OE2-N 3.03Å; S403-A486 WeakPolarHBondContact CB-O 3.35Å |
| 487 | T | 67.7 | Low | 80.6 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 42% | 0.423 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 138.5 | 173.2 | 50.3 | 0 | 0 | 0 | 0 | 111.1 | R454 T489 | R454-T487 HydrophobicContact CG-CG2 3.76Å; T487-T489 VanDerWaalsContact C-N 3.35Å; T487-T489 PolarHBondContact O-N 3.12Å |
| 488 | E | 65.4 | Low | 80.6 | Confident | 92 Ų | 92 | 80.9 Ų | 80.9 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | trans | -70.5 | 84.9 | 174.7 | -132.6 | 179.1 | 173.4 | 0 | 0 | 111.5 | S403 W491 | S403-E488 VanDerWaalsContact OG-CD 3.27Å; S403-E488 VanDerWaalsContact OG-CG 3.28Å; S403-E488 WeakPolarHBondContact OG-CG 3.47Å; E488-W491 VanDerWaalsContact CG-CD1 3.49Å; E488-W491 WeakPolarHBondContact OE1-CZ2 3.49Å; E488-W491 PolarHBondContact OE1-NE1 2.93Å; E488-W491 PolarHBondContact OE2-NE1 3.4Å | ||
| 489 | T | 64.8 | Low | 80.5 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 56% | 0.564 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -81.9 | -16.5 | -174.2 | 51 | 0 | 0 | 0 | 0 | 113.9 | T487 W491 I492 S493 | T487-T489 VanDerWaalsContact C-N 3.35Å; T487-T489 PolarHBondContact O-N 3.12Å; T489-W491 PolarHBondContact O-N 2.92Å; T489-I492 PolarHBondContact O-N 3.19Å; T489-S493 PolarHBondContact O-N 3.32Å |
| 490 | A | 68.4 | Low | 80.7 | Confident | 54 Ų | 54 | 84.4 Ų | 84.4 | 45% | 0.446 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S493 L494 | A490-S493 PolarHBondContact O-OG 2.95Å; A490-L494 WeakPolarHBondContact O-CB 3.4Å; A490-L494 PolarHBondContact O-N 3.1Å |
| 491 | W | 71 | Confident | 80.9 | Confident | 159 Ų | 159 | 85.8 Ų | 85.8 | 60% | 0.602 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -73.1 | -40.4 | 179.9 | -43.8 | 64.8 | 0 | 0 | 0 | 110.1 | E488 T489 L494 V495 | E488-W491 VanDerWaalsContact CG-CD1 3.49Å; E488-W491 WeakPolarHBondContact OE1-CZ2 3.49Å; E488-W491 PolarHBondContact OE1-NE1 2.93Å; E488-W491 PolarHBondContact OE2-NE1 3.4Å; T489-W491 PolarHBondContact O-N 2.92Å; W491-L494 PolarHBondContact O-N 3.37Å; W491-V495 WeakPolarHBondContact O-CB 3.44Å; W491-V495 VanDerWaalsContact O-CG2 3.26Å; W491-V495 WeakPolarHBondContact O-CG2 3.4Å; W491-V495 PolarHBondContact O-N 3.41Å |
| 492 | I | 74.7 | Confident | 81.1 | Confident | 111 Ų | 111 | 89.6 Ų | 89.6 | 57% | 0.569 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 178 | -58.4 | 174.3 | 0 | 0 | 0 | 109.9 | T489 T496 | T489-I492 PolarHBondContact O-N 3.19Å; I492-T496 WeakPolarHBondContact O-CB 3.33Å; I492-T496 VanDerWaalsContact O-CG2 3.23Å; I492-T496 WeakPolarHBondContact O-CG2 3.43Å; I492-T496 PolarHBondContact O-N 3.02Å; I492-T496 PolarHBondContact O-OG1 3.04Å |
| 493 | S | 76.4 | Confident | 81.1 | Confident | 70 Ų | 70 | 82 Ų | 82 | 49% | 0.49 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 175 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | T489 A490 T496 A497 | T489-S493 PolarHBondContact O-N 3.32Å; A490-S493 PolarHBondContact O-OG 2.95Å; S493-T496 VanDerWaalsContact CA-OG1 3.32Å; S493-T496 WeakPolarHBondContact CA-OG1 3.35Å; S493-T496 PolarHBondContact O-OG1 3.4Å; S493-A497 VanDerWaalsContact O-CB 3.24Å; S493-A497 WeakPolarHBondContact O-CB 3.38Å; S493-A497 PolarHBondContact O-N 3.49Å |
| 494 | L | 81.4 | Confident | 81.2 | Confident | 125 Ų | 125 | 87.3 Ų | 87.3 | 65% | 0.654 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -47.2 | 175.4 | -92.1 | 159.7 | 0 | 0 | 0 | 112.6 | A490 W491 A497 L498 | A490-L494 WeakPolarHBondContact O-CB 3.4Å; A490-L494 PolarHBondContact O-N 3.1Å; W491-L494 PolarHBondContact O-N 3.37Å; L494-A497 PolarHBondContact O-N 3.06Å; L494-L498 WeakPolarHBondContact O-CB 3.46Å; L494-L498 PolarHBondContact O-N 3.14Å |
| 495 | V | 85.8 | Confident | 81.2 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 179.1 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | W491 L498 L499 | W491-V495 WeakPolarHBondContact O-CB 3.44Å; W491-V495 VanDerWaalsContact O-CG2 3.26Å; W491-V495 WeakPolarHBondContact O-CG2 3.4Å; W491-V495 PolarHBondContact O-N 3.41Å; V495-L498 PolarHBondContact O-N 2.93Å; V495-L499 HydrophobicContact CG1-CD1 4.11Å; V495-L499 WeakPolarHBondContact O-CB 3.38Å; V495-L499 WeakPolarHBondContact O-CG 3.23Å; V495-L499 PolarHBondContact O-N 2.82Å |
| 496 | T | 85 | Confident | 81.3 | Confident | 68 Ų | 68 | 87.1 Ų | 87.1 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 176.8 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | I492 S493 L499 L500 | I492-T496 WeakPolarHBondContact O-CB 3.33Å; I492-T496 VanDerWaalsContact O-CG2 3.23Å; I492-T496 WeakPolarHBondContact O-CG2 3.43Å; I492-T496 PolarHBondContact O-N 3.02Å; I492-T496 PolarHBondContact O-OG1 3.04Å; S493-T496 VanDerWaalsContact CA-OG1 3.32Å; S493-T496 WeakPolarHBondContact CA-OG1 3.35Å; S493-T496 PolarHBondContact O-OG1 3.4Å; T496-L499 PolarHBondContact O-N 3.4Å; T496-L500 WeakPolarHBondContact O-CG 3.19Å; T496-L500 PolarHBondContact O-N 2.93Å |
| 497 | A | 87.9 | Confident | 81.8 | Confident | 49 Ų | 49 | 88.5 Ų | 88.5 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | S493 L494 L500 V501 | S493-A497 VanDerWaalsContact O-CB 3.24Å; S493-A497 WeakPolarHBondContact O-CB 3.38Å; S493-A497 PolarHBondContact O-N 3.49Å; L494-A497 PolarHBondContact O-N 3.06Å; A497-L500 PolarHBondContact O-N 3.39Å; A497-V501 WeakPolarHBondContact O-CG2 3.5Å; A497-V501 PolarHBondContact O-N 3.17Å |
| 498 | L | 91.2 | Very high | 82.6 | Confident | 108 Ų | 108 | 90.2 Ų | 90.2 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 176.5 | -175 | 67.8 | 0 | 0 | 0 | 111.7 | L494 V495 L500 V501 L502 | L494-L498 WeakPolarHBondContact O-CB 3.46Å; L494-L498 PolarHBondContact O-N 3.14Å; V495-L498 PolarHBondContact O-N 2.93Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.4Å; L498-V501 PolarHBondContact O-N 3.46Å; L498-L502 HydrophobicContact CD1-CD1 4.47Å; L498-L502 HydrophobicContact CG-CD1 4.07Å; L498-L502 WeakPolarHBondContact O-CB 3.46Å; L498-L502 WeakPolarHBondContact O-CG 3.42Å; L498-L502 PolarHBondContact O-N 2.94Å |
| 499 | L | 89.4 | Confident | 83.3 | Confident | 113 Ų | 113 | 87.7 Ų | 87.7 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | 175.7 | -77.4 | 167.4 | 0 | 0 | 0 | 112.2 | V495 T496 G503 | V495-L499 HydrophobicContact CG1-CD1 4.11Å; V495-L499 WeakPolarHBondContact O-CB 3.38Å; V495-L499 WeakPolarHBondContact O-CG 3.23Å; V495-L499 PolarHBondContact O-N 2.82Å; T496-L499 PolarHBondContact O-N 3.4Å; L499-G503 PolarHBondContact O-N 3.4Å |
| 500 | L | 91.9 | Very high | 83.9 | Confident | 120 Ų | 120 | 86.9 Ų | 86.9 | 63% | 0.628 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -43.5 | 175.8 | -75.6 | 169.7 | 0 | 0 | 0 | 112 | T496 A497 L498 G503 L504 | T496-L500 WeakPolarHBondContact O-CG 3.19Å; T496-L500 PolarHBondContact O-N 2.93Å; A497-L500 PolarHBondContact O-N 3.39Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.4Å; L500-G503 PolarHBondContact O-N 3.01Å; L500-L504 WeakPolarHBondContact O-CB 3.44Å; L500-L504 VanDerWaalsContact O-CG 3.29Å; L500-L504 WeakPolarHBondContact O-CG 3.37Å; L500-L504 PolarHBondContact O-N 3.35Å |
| 501 | V | 92.1 | Very high | 84.4 | Confident | 96 Ų | 96 | 89.1 Ų | 89.1 | 58% | 0.582 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -45.8 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | A497 L498 G503 L504 S505 | A497-V501 WeakPolarHBondContact O-CG2 3.5Å; A497-V501 PolarHBondContact O-N 3.17Å; L498-V501 PolarHBondContact O-N 3.46Å; V501-G503 PolarHBondContact O-N 2.91Å; V501-L504 PolarHBondContact O-N 3.39Å; V501-S505 WeakPolarHBondContact O-CB 3.27Å; V501-S505 PolarHBondContact O-N 2.87Å; V501-S505 PolarHBondContact O-OG 3.38Å |
| 502 | L | 91.9 | Very high | 84.7 | Confident | 98 Ų | 98 | 86.2 Ų | 86.2 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 176.2 | -71.7 | 172.2 | 0 | 0 | 0 | 111.2 | L498 S505 A506 | L498-L502 HydrophobicContact CD1-CD1 4.47Å; L498-L502 HydrophobicContact CG-CD1 4.07Å; L498-L502 WeakPolarHBondContact O-CB 3.46Å; L498-L502 WeakPolarHBondContact O-CG 3.42Å; L498-L502 PolarHBondContact O-N 2.94Å; L502-S505 PolarHBondContact O-N 3.01Å; L502-S505 PolarHBondContact O-OG 3.45Å; L502-A506 WeakPolarHBondContact O-CB 3.42Å; L502-A506 PolarHBondContact O-N 2.94Å |
| 503 | G | 88.8 | Confident | 84.5 | Confident | 36 Ų | 36 | 83.6 Ų | 83.6 | 37% | 0.371 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L499 L500 V501 S505 A506 V507 | L499-G503 PolarHBondContact O-N 3.4Å; L500-G503 PolarHBondContact O-N 3.01Å; V501-G503 PolarHBondContact O-N 2.91Å; G503-S505 VanDerWaalsContact C-N 3.34Å; G503-S505 PolarHBondContact O-N 3.05Å; G503-A506 PolarHBondContact O-N 2.73Å; G503-V507 WeakPolarHBondContact O-CG2 3.45Å; G503-V507 PolarHBondContact O-N 2.89Å |
| 504 | L | 89 | Confident | 84.2 | Confident | 112 Ų | 112 | 87.2 Ų | 87.2 | 59% | 0.586 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 177 | -74.5 | 167.8 | 0 | 0 | 0 | 111.8 | L500 V501 V507 L508 | L500-L504 WeakPolarHBondContact O-CB 3.44Å; L500-L504 VanDerWaalsContact O-CG 3.29Å; L500-L504 WeakPolarHBondContact O-CG 3.37Å; L500-L504 PolarHBondContact O-N 3.35Å; V501-L504 PolarHBondContact O-N 3.39Å; L504-V507 PolarHBondContact O-N 2.9Å; L504-L508 PolarHBondContact O-N 2.98Å |
| 505 | S | 85.9 | Confident | 83.6 | Confident | 67 Ų | 67 | 92.1 Ų | 92.1 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 177 | 76.4 | 0 | 0 | 0 | 0 | 112.5 | V501 L502 G503 L508 G509 | V501-S505 WeakPolarHBondContact O-CB 3.27Å; V501-S505 PolarHBondContact O-N 2.87Å; V501-S505 PolarHBondContact O-OG 3.38Å; L502-S505 PolarHBondContact O-N 3.01Å; L502-S505 PolarHBondContact O-OG 3.45Å; G503-S505 VanDerWaalsContact C-N 3.34Å; G503-S505 PolarHBondContact O-N 3.05Å; S505-L508 PolarHBondContact O-N 2.96Å; S505-G509 PolarHBondContact O-N 2.73Å |
| 506 | A | 85 | Confident | 82.8 | Confident | 53 Ų | 53 | 94.6 Ų | 94.6 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L502 G503 G509 L510 | L502-A506 WeakPolarHBondContact O-CB 3.42Å; L502-A506 PolarHBondContact O-N 2.94Å; G503-A506 PolarHBondContact O-N 2.73Å; A506-G509 PolarHBondContact O-N 2.66Å; A506-L510 WeakPolarHBondContact O-CB 3.42Å; A506-L510 VanDerWaalsContact O-CG 3.32Å; A506-L510 WeakPolarHBondContact O-CG 3.25Å; A506-L510 PolarHBondContact O-N 2.66Å |
| 507 | V | 83.8 | Confident | 81.8 | Confident | 81 Ų | 81 | 96.9 Ų | 96.9 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 111 | G503 L504 G509 L510 L511 | G503-V507 WeakPolarHBondContact O-CG2 3.45Å; G503-V507 PolarHBondContact O-N 2.89Å; L504-V507 PolarHBondContact O-N 2.9Å; V507-G509 VanDerWaalsContact C-N 3.35Å; V507-G509 PolarHBondContact O-N 3.14Å; V507-L510 PolarHBondContact O-N 3.29Å; V507-L511 HydrophobicContact CG1-CD1 4.02Å; V507-L511 WeakPolarHBondContact O-CB 3.44Å; V507-L511 WeakPolarHBondContact O-CG 3.4Å; V507-L511 PolarHBondContact O-N 3.08Å |
| 508 | L | 84.1 | Confident | 80.6 | Confident | 105 Ų | 105 | 98.6 Ų | 98.6 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 173.4 | -106.5 | 103.2 | 0 | 0 | 0 | 111.8 | L504 S505 L510 L511 L512 | L504-L508 PolarHBondContact O-N 2.98Å; S505-L508 PolarHBondContact O-N 2.96Å; L508-L510 PolarHBondContact O-N 3.25Å; L508-L511 PolarHBondContact O-N 2.88Å; L508-L512 WeakPolarHBondContact O-CB 3.37Å; L508-L512 WeakPolarHBondContact O-CG 3.45Å; L508-L512 PolarHBondContact O-N 2.83Å |
| 509 | G | 81.1 | Confident | 79.2 | Confident | 38 Ų | 38 | 96.6 Ų | 96.6 | 39% | 0.392 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S505 A506 V507 L512 L513 | S505-G509 PolarHBondContact O-N 2.73Å; A506-G509 PolarHBondContact O-N 2.66Å; V507-G509 VanDerWaalsContact C-N 3.35Å; V507-G509 PolarHBondContact O-N 3.14Å; G509-L512 PolarHBondContact O-N 3Å; G509-L513 VanDerWaalsContact O-CB 3.3Å; G509-L513 WeakPolarHBondContact O-CB 3.16Å; G509-L513 PolarHBondContact O-N 2.95Å |
| 510 | L | 78.1 | Confident | 77.9 | Confident | 75 Ų | 75 | 96.2 Ų | 96.2 | 39% | 0.393 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | 175.3 | -74.8 | 168 | 0 | 0 | 0 | 112.5 | A506 V507 L508 R514 L524 | A506-L510 WeakPolarHBondContact O-CB 3.42Å; A506-L510 VanDerWaalsContact O-CG 3.32Å; A506-L510 WeakPolarHBondContact O-CG 3.25Å; A506-L510 PolarHBondContact O-N 2.66Å; V507-L510 PolarHBondContact O-N 3.29Å; L508-L510 PolarHBondContact O-N 3.25Å; L510-R514 WeakPolarHBondContact O-CB 3.3Å; L510-R514 PolarHBondContact O-N 3.28Å; L510-L524 HydrophobicContact CD2-CD2 4.18Å |
| 511 | L | 78.2 | Confident | 76.6 | Confident | 102 Ų | 102 | 93.4 Ų | 93.4 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 175.4 | -75.2 | 166.4 | 0 | 0 | 0 | 112.1 | V507 L508 R514 W515 | V507-L511 HydrophobicContact CG1-CD1 4.02Å; V507-L511 WeakPolarHBondContact O-CB 3.44Å; V507-L511 WeakPolarHBondContact O-CG 3.4Å; V507-L511 PolarHBondContact O-N 3.08Å; L508-L511 PolarHBondContact O-N 2.88Å; L511-R514 WeakPolarHBondContact O-CB 3.32Å; L511-R514 PolarHBondContact O-N 3.09Å; L511-W515 PolarHBondContact O-N 2.72Å; L511-W515 VanDerWaalsContact O-N 3.08Å |
| 512 | L | 76.9 | Confident | 75.2 | Confident | 97 Ų | 97 | 97.4 Ų | 97.4 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 174.8 | -73.4 | 168.6 | 0 | 0 | 0 | 111.6 | L508 G509 R514 W515 Q516 | L508-L512 WeakPolarHBondContact O-CB 3.37Å; L508-L512 WeakPolarHBondContact O-CG 3.45Å; L508-L512 PolarHBondContact O-N 2.83Å; G509-L512 PolarHBondContact O-N 3Å; L512-R514 VanDerWaalsContact C-N 3.28Å; L512-R514 PolarHBondContact O-N 3.15Å; L512-W515 PolarHBondContact O-N 2.8Å; L512-W515 VanDerWaalsContact O-N 3.09Å; L512-Q516 PolarHBondContact O-N 3.22Å |
| 513 | L | 71.6 | Confident | 73.9 | Confident | 56 Ų | 56 | 101.3 Ų | 101.3 | 29% | 0.293 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 175.5 | -163.3 | 78 | 0 | 0 | 0 | 111.6 | G509 W515 F517 | G509-L513 VanDerWaalsContact O-CB 3.3Å; G509-L513 WeakPolarHBondContact O-CB 3.16Å; G509-L513 PolarHBondContact O-N 2.95Å; L513-W515 VanDerWaalsContact C-N 3.34Å; L513-F517 CarbonylContact O-C 3.42Å; L513-F517 PolarHBondContact O-N 3.04Å; L513-F517 VanDerWaalsContact O-N 3.09Å |
| 514 | R | 70.3 | Confident | 72.7 | Confident | 146 Ų | 146 | 103.4 Ų | 103.4 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -34.3 | 173.3 | -178.6 | 177.3 | 173.1 | 153.8 | -3.4 | 112.5 | L510 L511 L512 Y521 | L510-R514 WeakPolarHBondContact O-CB 3.3Å; L510-R514 PolarHBondContact O-N 3.28Å; L511-R514 WeakPolarHBondContact O-CB 3.32Å; L511-R514 PolarHBondContact O-N 3.09Å; L512-R514 VanDerWaalsContact C-N 3.28Å; L512-R514 PolarHBondContact O-N 3.15Å; R514-Y521 HydrophobicContact CB-CD2 3.83Å; R514-Y521 HydrophobicContact CB-CE2 4.01Å; R514-Y521 HydrophobicContact CB-CG 4.13Å; R514-Y521 HydrophobicContact CG-CD1 4.37Å; R514-Y521 HydrophobicContact CG-CD2 4.43Å; R514-Y521 HydrophobicContact CG-CE1 4.38Å; R514-Y521 HydrophobicContact CG-CE2 4.43Å; R514-Y521 HydrophobicContact CG-CG 4.4Å |
| 515 | W | 68.3 | Low | 71.5 | Confident | 228 Ų | 228 | 105.5 Ų | 105.5 | 86% | 0.864 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -77.9 | -51.1 | 179.6 | -162.6 | -40 | 0 | 0 | 0 | 112 | L511 L512 L513 | L511-W515 PolarHBondContact O-N 2.72Å; L511-W515 VanDerWaalsContact O-N 3.08Å; L512-W515 PolarHBondContact O-N 2.8Å; L512-W515 VanDerWaalsContact O-N 3.09Å; L513-W515 VanDerWaalsContact C-N 3.34Å |
| 516 | Q | 67.9 | Low | 70.2 | Confident | 138 Ų | 138 | 108.1 Ų | 108.1 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -82.7 | -30.7 | -172.9 | -80.5 | 177.1 | -8.9 | 0 | 0 | 114.3 | L512 | L512-Q516 PolarHBondContact O-N 3.22Å |
| 517 | F | 64.1 | Low | 69.3 | Low | 116 Ų | 116 | 109.5 Ų | 109.5 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | trans | -138.3 | 72.2 | -173.3 | -59.2 | -77.6 | 0 | 0 | 0 | 112.6 | L513 A519 H520 Y521 | L513-F517 CarbonylContact O-C 3.42Å; L513-F517 PolarHBondContact O-N 3.04Å; L513-F517 VanDerWaalsContact O-N 3.09Å; F517-A519 PolarHBondContact O-N 3.29Å; F517-A519 VanDerWaalsContact O-N 3.09Å; F517-H520 HydrophobicContact CB-CB 4.13Å; F517-H520 PolarHBondContact O-N 3.46Å; F517-Y521 PolarHBondContact O-N 3.13Å; F517-Y521 VanDerWaalsContact O-N 3.13Å | ||
| 518 | P | 62.7 | Low | 68.4 | Low | 85 Ų | 85 | 111.5 Ų | 111.5 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.8 | -26.8 | -175.9 | 20.4 | -31.1 | 0 | 0 | 0 | 113.8 | R522 | P518-R522 PolarHBondContact O-N 3.09Å |
| 519 | A | 62.2 | Low | 67.1 | Low | 67 Ų | 67 | 115.4 Ų | 115.4 | 55% | 0.554 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.4 | -33.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F517 | F517-A519 PolarHBondContact O-N 3.29Å; F517-A519 VanDerWaalsContact O-N 3.09Å |
| 520 | H | 62.8 | Low | 65.9 | Low | 105 Ų | 105 | 118.1 Ų | 118.1 | 49% | 0.486 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -78.1 | -35.2 | 175.4 | -83.9 | 11.8 | 0 | 0 | 0 | 112 | F517 R522 R523 L524 | F517-H520 HydrophobicContact CB-CB 4.13Å; F517-H520 PolarHBondContact O-N 3.46Å; H520-R522 PolarHBondContact O-N 2.87Å; H520-R523 WeakPolarHBondContact O-CB 3.45Å; H520-R523 PolarHBondContact O-N 3.34Å; H520-R523 VanDerWaalsContact O-N 3.14Å; H520-L524 PolarHBondContact O-N 3.3Å |
| 521 | Y | 64 | Low | 64.7 | Low | 60 Ų | 60 | 119.6 Ų | 119.6 | 24% | 0.235 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -60 | -41.8 | 172.4 | -180 | -95.3 | 0 | 0 | 0 | 112.6 | R514 F517 R523 L524 R525 | R514-Y521 HydrophobicContact CB-CD2 3.83Å; R514-Y521 HydrophobicContact CB-CE2 4.01Å; R514-Y521 HydrophobicContact CB-CG 4.13Å; R514-Y521 HydrophobicContact CG-CD1 4.37Å; R514-Y521 HydrophobicContact CG-CD2 4.43Å; R514-Y521 HydrophobicContact CG-CE1 4.38Å; R514-Y521 HydrophobicContact CG-CE2 4.43Å; R514-Y521 HydrophobicContact CG-CG 4.4Å; F517-Y521 PolarHBondContact O-N 3.13Å; F517-Y521 VanDerWaalsContact O-N 3.13Å; Y521-R523 VanDerWaalsContact C-N 3.3Å; Y521-R523 PolarHBondContact O-N 3.38Å; Y521-L524 PolarHBondContact O-N 2.73Å; Y521-R525 WeakPolarHBondContact O-CB 3.47Å; Y521-R525 PolarHBondContact O-N 3.43Å |
| 522 | R | 63 | Low | 63.5 | Low | 181 Ų | 181 | 121.6 Ų | 121.6 | 68% | 0.683 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -58.9 | -41.9 | 173.2 | -86.6 | -174.3 | -179.8 | 179.4 | 0.6 | 111.9 | P518 H520 R525 H526 | P518-R522 PolarHBondContact O-N 3.09Å; H520-R522 PolarHBondContact O-N 2.87Å; R522-R525 PolarHBondContact O-N 3.48Å; R522-H526 PolarHBondContact O-CD2 3.33Å; R522-H526 PolarHBondContact O-N 3.33Å |
| 523 | R | 64.3 | Low | 62.4 | Low | 179 Ų | 179 | 122 Ų | 122 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.6 | -41.5 | -179.1 | -136.7 | -179.6 | -75.2 | -176.5 | -4.8 | 111.9 | H520 Y521 H526 A527 | H520-R523 WeakPolarHBondContact O-CB 3.45Å; H520-R523 PolarHBondContact O-N 3.34Å; H520-R523 VanDerWaalsContact O-N 3.14Å; Y521-R523 VanDerWaalsContact C-N 3.3Å; Y521-R523 PolarHBondContact O-N 3.38Å; R523-H526 PolarHBondContact O-N 3Å; R523-A527 PolarHBondContact O-N 2.96Å |
| 524 | L | 63.2 | Low | 61.6 | Low | 80 Ų | 80 | 125.1 Ų | 125.1 | 42% | 0.419 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69 | -39.7 | 176.4 | -139.3 | 91.7 | 0 | 0 | 0 | 112.4 | L510 H520 Y521 H526 A527 L528 | L510-L524 HydrophobicContact CD2-CD2 4.18Å; H520-L524 PolarHBondContact O-N 3.3Å; Y521-L524 PolarHBondContact O-N 2.73Å; L524-H526 VanDerWaalsContact C-N 3.29Å; L524-H526 PolarHBondContact O-N 3.44Å; L524-A527 PolarHBondContact O-N 3.5Å; L524-A527 VanDerWaalsContact O-N 3.13Å; L524-L528 HydrophobicContact CD2-CD1 3.84Å; L524-L528 HydrophobicContact CG-CD1 4.15Å; L524-L528 PolarHBondContact O-N 2.86Å |
| 525 | R | 63.3 | Low | 61 | Low | 156 Ų | 156 | 124.6 Ų | 124.6 | 59% | 0.589 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -59.3 | -39.7 | 175.8 | -178.7 | 179.6 | 177.2 | 170.5 | 0.3 | 111.9 | Y521 R522 A527 W529 | Y521-R525 WeakPolarHBondContact O-CB 3.47Å; Y521-R525 PolarHBondContact O-N 3.43Å; R522-R525 PolarHBondContact O-N 3.48Å; R525-A527 VanDerWaalsContact C-N 3.31Å; R525-A527 PolarHBondContact O-N 3.4Å; R525-W529 CarbonylContact O-C 3.43Å; R525-W529 WeakPolarHBondContact O-CA 3.39Å; R525-W529 WeakPolarHBondContact O-CB 3.34Å; R525-W529 PolarHBondContact O-N 2.85Å; R525-W529 VanDerWaalsContact O-O 3.1Å |
| 526 | H | 59.6 | Low | 60.5 | Low | 122 Ų | 122 | 121 Ų | 121 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73.1 | -22.3 | 178.2 | -70.4 | -57 | 0 | 0 | 0 | 113.5 | R522 R523 L524 | R522-H526 PolarHBondContact O-CD2 3.33Å; R522-H526 PolarHBondContact O-N 3.33Å; R523-H526 PolarHBondContact O-N 3Å; L524-H526 VanDerWaalsContact C-N 3.29Å; L524-H526 PolarHBondContact O-N 3.44Å |
| 527 | A | 65.8 | Low | 60.4 | Low | 82 Ų | 82 | 123.8 Ų | 123.8 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -83.8 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R523 L524 R525 | R523-A527 PolarHBondContact O-N 2.96Å; L524-A527 PolarHBondContact O-N 3.5Å; L524-A527 VanDerWaalsContact O-N 3.13Å; R525-A527 VanDerWaalsContact C-N 3.31Å; R525-A527 PolarHBondContact O-N 3.4Å |
| 528 | L | 64.3 | Low | 60.6 | Low | 123 Ų | 123 | 122.2 Ų | 122.2 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -85.7 | -22 | 179.1 | -76.6 | 159.2 | 0 | 0 | 0 | 113.3 | L524 | L524-L528 HydrophobicContact CD2-CD1 3.84Å; L524-L528 HydrophobicContact CG-CD1 4.15Å; L524-L528 PolarHBondContact O-N 2.86Å |
| 529 | W | 58.7 | Low | 60.6 | Low | 187 Ų | 187 | 122.8 Ų | 122.8 | 71% | 0.708 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -142.7 | 80.5 | -177.9 | -135.8 | -80.4 | 0 | 0 | 0 | 110.2 | R525 S531 | R525-W529 CarbonylContact O-C 3.43Å; R525-W529 WeakPolarHBondContact O-CA 3.39Å; R525-W529 WeakPolarHBondContact O-CB 3.34Å; R525-W529 PolarHBondContact O-N 2.85Å; R525-W529 VanDerWaalsContact O-O 3.1Å; W529-S531 PolarHBondContact O-N 2.92Å |
| 530 | P | 55.5 | Low | 60.8 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -57 | 141.1 | 168.3 | 24.5 | -31.6 | 0 | 0 | 0 | 109 | L532 | P530-L532 PolarHBondContact O-N 2.93Š|
| 531 | S | 52.6 | Low | 61 | Low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 121.7 | 177.3 | 41.8 | 0 | 0 | 0 | 0 | 109.7 | W529 | W529-S531 PolarHBondContact O-N 2.92Š|
| 532 | L | 52.3 | Low | 60.9 | Low | 143 Ų | 143 | 126 Ų | 126 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 133.3 | 176.9 | -77.7 | 129.8 | 0 | 0 | 0 | 110.9 | P530 | P530-L532 PolarHBondContact O-N 2.93Š|
| 533 | P | 54.7 | Low | 60.9 | Low | 106 Ų | 106 | 122.6 Ų | 122.6 | 69% | 0.688 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140 | 168.7 | -14.6 | 27.2 | 0 | 0 | 0 | 109.9 | L535 | P533-L535 PolarHBondContact O-N 3.41Š|
| 534 | D | 54 | Low | 60.7 | Low | 121 Ų | 121 | 122.5 Ų | 122.5 | 65% | 0.647 | 61% | 0.613 | S | S | * | * | trans | -55.5 | 108 | -176.7 | -163.2 | -8.8 | 0 | 0 | 0 | 111.9 | H536 R537 | D534-H536 PolarHBondContact O-N 2.97Å; D534-H536 VanDerWaalsContact O-N 3.12Å; D534-R537 WeakPolarHBondContact O-CB 3.34Å; D534-R537 PolarHBondContact O-N 3.46Å | ||
| 535 | L | 57.8 | Low | 60.6 | Low | 136 Ų | 136 | 123.7 Ų | 123.7 | 71% | 0.712 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.9 | -24.6 | -173.2 | -154.5 | 77 | 0 | 0 | 0 | 111.8 | P533 R537 V538 L539 | P533-L535 PolarHBondContact O-N 3.41Å; L535-R537 VanDerWaalsContact C-N 3.33Å; L535-V538 PolarHBondContact O-N 3.28Å; L535-L539 VanDerWaalsContact O-CB 3.29Å; L535-L539 WeakPolarHBondContact O-CB 3.35Å; L535-L539 PolarHBondContact O-N 3.33Å |
| 536 | H | 58.8 | Low | 60.3 | Low | 153 Ų | 153 | 119.9 Ų | 119.9 | 71% | 0.708 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.3 | -32.1 | 177.5 | -120.7 | 4.8 | 0 | 0 | 0 | 112.8 | D534 G540 | D534-H536 PolarHBondContact O-N 2.97Å; D534-H536 VanDerWaalsContact O-N 3.12Å; H536-G540 PolarHBondContact O-N 2.99Å |
| 537 | R | 65.8 | Low | 60.2 | Low | 196 Ų | 196 | 117.5 Ų | 117.5 | 74% | 0.74 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74 | -37 | 177.4 | -162 | 177.4 | 179.6 | -174.8 | 0.4 | 111.4 | D534 L535 Q541 | D534-R537 WeakPolarHBondContact O-CB 3.34Å; D534-R537 PolarHBondContact O-N 3.46Å; L535-R537 VanDerWaalsContact C-N 3.33Å; R537-Q541 WeakPolarHBondContact O-CB 3.29Å; R537-Q541 PolarHBondContact O-N 3.45Å |
| 538 | V | 67.7 | Low | 59.6 | Low | 83 Ų | 83 | 117.6 Ų | 117.6 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -73.3 | -42.9 | 178.4 | -176 | 0 | 0 | 0 | 0 | 111.1 | L535 Q541 Y542 | L535-V538 PolarHBondContact O-N 3.28Å; V538-Q541 PolarHBondContact O-N 2.9Å; V538-Y542 PolarHBondContact O-N 3.09Å |
| 539 | L | 63.2 | Low | 59 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 50% | 0.503 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.4 | -38.9 | 177.8 | -166.4 | 71.5 | 0 | 0 | 0 | 112.2 | L535 Q541 Y542 L543 | L535-L539 VanDerWaalsContact O-CB 3.29Å; L535-L539 WeakPolarHBondContact O-CB 3.35Å; L535-L539 PolarHBondContact O-N 3.33Å; L539-Q541 PolarHBondContact O-N 2.99Å; L539-Y542 PolarHBondContact O-N 2.95Å; L539-L543 HydrophobicContact CG-CD1 4.11Å; L539-L543 WeakPolarHBondContact O-CB 3.39Å; L539-L543 VanDerWaalsContact O-CG 3.31Å; L539-L543 WeakPolarHBondContact O-CG 3.37Å; L539-L543 PolarHBondContact O-N 2.88Å |
| 540 | G | 65.1 | Low | 58.3 | Low | 24 Ų | 24 | 114.4 Ų | 114.4 | 25% | 0.247 | 62% | 0.62 | C | S | . | * | H | α-helix | trans | -70.5 | -15.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H536 R544 | H536-G540 PolarHBondContact O-N 2.99Å; G540-R544 PolarHBondContact O-NE 2.89Å; G540-R544 VanDerWaalsContact O-NE 3.17Å; G540-R544 PolarHBondContact O-NH2 3.4Å |
| 541 | Q | 68.1 | Low | 57.8 | Low | 109 Ų | 109 | 115.5 Ų | 115.5 | 51% | 0.509 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -88.9 | -43.1 | 173.7 | -153.7 | 155.6 | -21.3 | 0 | 0 | 110 | R537 V538 L539 L543 R544 D545 | R537-Q541 WeakPolarHBondContact O-CB 3.29Å; R537-Q541 PolarHBondContact O-N 3.45Å; V538-Q541 PolarHBondContact O-N 2.9Å; L539-Q541 PolarHBondContact O-N 2.99Å; Q541-L543 PolarHBondContact O-N 3.08Å; Q541-R544 PolarHBondContact O-N 2.77Å; Q541-R544 VanDerWaalsContact O-N 3.14Å; Q541-D545 PolarHBondContact O-N 3.13Å |
| 542 | Y | 62.2 | Low | 57.3 | Low | 168 Ų | 168 | 116.5 Ų | 116.5 | 66% | 0.659 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.9 | -37.5 | 174.1 | -142.4 | -90.3 | 0 | 0 | 0 | 113.5 | V538 L539 R544 T546 | V538-Y542 PolarHBondContact O-N 3.09Å; L539-Y542 PolarHBondContact O-N 2.95Å; Y542-R544 VanDerWaalsContact C-N 3.34Å; Y542-T546 HydrophobicContact CD1-CG2 4.48Å; Y542-T546 PolarHBondContact O-N 2.87Å; Y542-T546 VanDerWaalsContact O-N 3.12Å; Y542-T546 PolarHBondContact O-OG1 3.4Å |
| 543 | L | 61.3 | Low | 56.5 | Low | 108 Ų | 108 | 119.7 Ų | 119.7 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.9 | -25.9 | 175.3 | -73.5 | 170.5 | 0 | 0 | 0 | 113.1 | L539 Q541 T546 A547 | L539-L543 HydrophobicContact CG-CD1 4.11Å; L539-L543 WeakPolarHBondContact O-CB 3.39Å; L539-L543 VanDerWaalsContact O-CG 3.31Å; L539-L543 WeakPolarHBondContact O-CG 3.37Å; L539-L543 PolarHBondContact O-N 2.88Å; Q541-L543 PolarHBondContact O-N 3.08Å; L543-T546 WeakPolarHBondContact CA-OG1 3.24Å; L543-T546 PolarHBondContact O-OG1 3.09Å; L543-A547 WeakPolarHBondContact O-CB 3.32Å; L543-A547 PolarHBondContact O-N 3.08Å |
| 544 | R | 61.6 | Low | 55.4 | Low | 178 Ų | 178 | 119.2 Ų | 119.2 | 67% | 0.672 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.1 | -38.9 | 175 | -117.8 | 177.2 | -72 | 169.6 | -6.5 | 111.4 | G540 Q541 Y542 A547 A548 | G540-R544 PolarHBondContact O-NE 2.89Å; G540-R544 VanDerWaalsContact O-NE 3.17Å; G540-R544 PolarHBondContact O-NH2 3.4Å; Q541-R544 PolarHBondContact O-N 2.77Å; Q541-R544 VanDerWaalsContact O-N 3.14Å; Y542-R544 VanDerWaalsContact C-N 3.34Å; R544-A547 PolarHBondContact O-N 3.33Å; R544-A548 PolarHBondContact O-N 2.97Å |
| 545 | D | 60.8 | Low | 54.4 | Low | 104 Ų | 104 | 119.8 Ų | 119.8 | 56% | 0.556 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.7 | -29.3 | 179.1 | -65.2 | -19.8 | 0 | 0 | 0 | 112.3 | Q541 | Q541-D545 PolarHBondContact O-N 3.13Å |
| 546 | T | 57.5 | Low | 53.4 | Low | 77 Ų | 77 | 119.8 Ų | 119.8 | 47% | 0.472 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -79.3 | -25.9 | 173.7 | 41.5 | 0 | 0 | 0 | 0 | 113.7 | Y542 L543 A548 | Y542-T546 HydrophobicContact CD1-CG2 4.48Å; Y542-T546 PolarHBondContact O-N 2.87Å; Y542-T546 VanDerWaalsContact O-N 3.12Å; Y542-T546 PolarHBondContact O-OG1 3.4Å; L543-T546 WeakPolarHBondContact CA-OG1 3.24Å; L543-T546 PolarHBondContact O-OG1 3.09Å; T546-A548 VanDerWaalsContact C-N 3.3Å |
| 547 | A | 55.8 | Low | 52.2 | Low | 72 Ų | 72 | 118.1 Ų | 118.1 | 60% | 0.595 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.7 | -13.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L543 R544 | L543-A547 WeakPolarHBondContact O-CB 3.32Å; L543-A547 PolarHBondContact O-N 3.08Å; R544-A547 PolarHBondContact O-N 3.33Å |
| 548 | A | 54.1 | Low | 50.6 | Low | 83 Ų | 83 | 115.7 Ų | 115.7 | 69% | 0.686 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -3.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | R544 T546 | R544-A548 PolarHBondContact O-N 2.97Å; T546-A548 VanDerWaalsContact C-N 3.3Å |
| 549 | L | 50.9 | Low | 48.7 | Very low | 149 Ų | 149 | 118.1 Ų | 118.1 | 78% | 0.78 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -117.9 | 14.9 | -174 | -81.1 | 162.5 | 0 | 0 | 0 | 115.2 | ||
| 550 | S | 45.4 | Very low | 47 | Very low | 94 Ų | 94 | 119 Ų | 119 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | trans | -105.7 | 116.2 | 173.7 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 551 | P | 44.9 | Very low | 45.5 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | -78.4 | 157.5 | 164.3 | 29.3 | -30.5 | 0 | 0 | 0 | 112 | ||||
| 552 | P | 40.4 | Very low | 44 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -86.7 | 153.6 | -163.6 | 34 | -34.7 | 0 | 0 | 0 | 115.3 | ||||
| 553 | K | 36.8 | Very low | 42.6 | Very low | 210 Ų | 210 | 128.6 Ų | 128.6 | 91% | 0.913 | 75% | 0.746 | S | S | * | * | trans | -17.1 | 132.2 | 159.1 | -105.7 | 167.3 | 173.7 | 172.6 | 0 | 117.6 | ||||
| 554 | A | 31.6 | Very low | 41.7 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -138 | 99.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 555 | T | 32.6 | Very low | 40.7 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | 68.8 | 99.6 | 100.9 | -39.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 556 | V | 36.8 | Very low | 39.1 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -71.1 | 132.6 | 166.8 | 170.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 557 | S | 33.6 | Very low | 37.8 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -141.2 | 130.5 | 145.5 | 75.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 558 | D | 32.2 | Very low | 36.6 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -85.6 | 134.1 | -169 | -170.2 | 11.5 | 0 | 0 | 0 | 111.4 | ||||
| 559 | T | 27.7 | Very low | 35.7 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -163.1 | 108.1 | 151.6 | 41.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 560 | C | 28.5 | Very low | 34.8 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 50 | 123.1 | 135.6 | -63.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 561 | E | 33.5 | Very low | 34.1 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | 66.9 | 106.6 | 136.2 | -66.5 | -166.4 | 162.4 | 0 | 0 | 121.7 | ||||
| 562 | E | 36.2 | Very low | 33.6 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | 45.8 | 80.4 | 125.1 | -149.1 | 169.1 | -148.6 | 0 | 0 | 118 | |||||
| 563 | V | 33.1 | Very low | 33 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -142.1 | 115.9 | 147.8 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 564 | E | 41.7 | Very low | 32.6 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -70.8 | 136 | 171.2 | -169.1 | 168.7 | 176 | 0 | 0 | 110.3 | ||||
| 565 | P | 39.8 | Very low | 32.4 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | -152.6 | 143.6 | 111.2 | 36.3 | -16.8 | 0 | 0 | 0 | 117 | |||||
| 566 | S | 27.8 | Very low | 32.2 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 48.3 | 151.3 | 134.1 | 68 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 567 | L | 30.9 | Very low | 31.7 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | cis | -178.7 | 120.9 | -24.6 | 178.4 | 123 | 0 | 0 | 0 | 103.4 | ||||
| 568 | L | 31.1 | Very low | 31.4 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -147 | 88.5 | 159.3 | -150 | 97.4 | 0 | 0 | 0 | 109.1 | ||||
| 569 | E | 33.5 | Very low | 31.3 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -119.9 | 127.7 | 163.8 | -85.6 | -169.9 | 158.8 | 0 | 0 | 109.1 | ||||
| 570 | I | 33.6 | Very low | 31.3 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -96.6 | 110.1 | 171.1 | -62.6 | 169.9 | 0 | 0 | 0 | 106.4 | ||||
| 571 | L | 30.2 | Very low | 31.5 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -118.6 | 136 | 166.6 | -93.3 | 156.1 | 0 | 0 | 0 | 108.2 | ||||
| 572 | P | 34.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -85.4 | 135.7 | 171.6 | 32.7 | -28.2 | 0 | 0 | 0 | 110.1 | ||||
| 573 | K | 26.7 | Very low | 30.4 | Very low | 205 Ų | 205 | 143.1 Ų | 143.1 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -130.8 | 156 | 171.9 | -144.9 | 178.2 | -178 | 176.9 | 0 | 112.6 | ||||
| 574 | S | 29.1 | Very low | 29.8 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | -66.8 | 159.2 | -169 | 55.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 575 | S | 28.1 | Very low | 29 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 57.3 | 130.8 | 134.7 | -152 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 576 | E | 27.3 | Very low | 28.2 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | 91.9 | 118 | 141.3 | -98.6 | -175.6 | 139.6 | 0 | 0 | 124.8 | ||||
| 577 | R | 25.5 | Very low | 28 | Very low | 210 Ų | 210 | 141.5 Ų | 141.5 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | 66.1 | 110.5 | 131.4 | -139.5 | 165.5 | -153.6 | 153.5 | 1.1 | 123.7 | ||||
| 578 | T | 28.6 | Very low | 27.6 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | 34.1 | 145.1 | 142 | -3.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 579 | P | 29.1 | Very low | 27.3 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | -148 | 165.8 | 82.9 | 33.6 | -12.3 | 0 | 0 | 0 | 117.2 | |||||
| 580 | L | 28.5 | Very low | 26.8 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -67.5 | 177.9 | 164.1 | -70.4 | 165 | 0 | 0 | 0 | 111.1 | ||||
| 581 | P | 32.9 | Very low | 26.3 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | cis | -142.1 | 175.9 | 13.2 | 38.3 | -16.7 | 0 | 0 | 0 | 116.5 | ||||
| 582 | L | 24.1 | Very low | 26.1 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | 165.8 | 142.7 | 129.8 | -89.4 | 154.3 | 0 | 0 | 0 | 113 | |||||
| 583 | C | 21.6 | Very low | 25.4 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -78 | 176.9 | -162.3 | -69.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 584 | S | 21.9 | Very low | 25.4 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | 96.8 | 136.3 | 151.9 | 77 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 585 | S | 23.3 | Very low | 25.2 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | -173.5 | 149.6 | -3.6 | 48.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 586 | Q | 24.2 | Very low | 25.3 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | 79.3 | 132.2 | 138.4 | -128.3 | 160.6 | -0 | 0 | 0 | 122.9 | ||||
| 587 | S | 23.9 | Very low | 25.1 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | trans | 83.5 | 152.4 | 142.3 | 74.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 588 | Q | 22.2 | Very low | 24.9 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | cis | 172.8 | 139.3 | -22.1 | 179.3 | 174.9 | -14.7 | 0 | 0 | 104.2 | ||||
| 589 | M | 24.5 | Very low | 24.7 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | trans | 63.3 | 123.9 | 151.1 | -83.2 | -175.3 | 167.4 | 0 | 0 | 122.9 | ||||
| 590 | D | 22.3 | Very low | 24.4 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | 130.9 | 130 | 94.2 | -98.2 | -12.6 | 0 | 0 | 0 | 119.9 | |||||
| 591 | Y | 23.6 | Very low | 24.1 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 66% | 0.655 | 75% | 0.746 | S | S | * | * | trans | 75.5 | 110.4 | 135.9 | -77 | -52.1 | 0 | 0 | 0 | 124.8 | ||||
| 592 | R | 25.2 | Very low | 23.6 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 68% | 0.683 | 75% | 0.752 | S | S | * | * | 66.9 | 129.1 | 109 | -106.5 | -175.3 | -176.9 | 168.7 | 0.5 | 122 | |||||
| 593 | R | 21.9 | Very low | 23.7 | Very low | 180 Ų | 180 | 136.3 Ų | 136.3 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | 85 | 118.4 | 124.6 | -146.8 | -162.8 | -67.7 | -144.1 | 2.7 | 116.6 | |||||
| 594 | L | 26.1 | Very low | 23.8 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | 175.2 | 122.5 | 104.7 | -89.6 | 157.6 | 0 | 0 | 0 | 111.8 | |||||
| 595 | Q | 24.7 | Very low | 23.8 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -74.2 | 163.7 | 151.7 | -148 | 173.6 | -11.1 | 0 | 0 | 108.1 | ||||
| 596 | P | 30 | Very low | 23.7 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | -144.6 | 163.3 | 101 | 33 | -14.6 | 0 | 0 | 0 | 115.4 | |||||
| 597 | S | 22.8 | Very low | 23.6 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -87.3 | 167.7 | -179.4 | 38.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 598 | C | 22.4 | Very low | 24 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 156 | 155 | 135.8 | -79.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 599 | L | 23.6 | Very low | 24.3 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | cis | 178 | 140.9 | -37.8 | -128.2 | 160.8 | 0 | 0 | 0 | 106.5 | ||||
| 600 | G | 22.8 | Very low | 24.3 | Very low | 65 Ų | 65 | 138.3 Ų | 138.3 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | 88.5 | 144.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 601 | T | 21.9 | Very low | 24.4 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | cis | -169.2 | 156.1 | 16.1 | -39.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 602 | M | 22.5 | Very low | 24.4 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -71.7 | 167.1 | 174.2 | -97 | -162.2 | 152.2 | 0 | 0 | 115.1 | ||||
| 603 | P | 27.1 | Very low | 24.4 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | -144.4 | 174.7 | 110.1 | 35.2 | -16.9 | 0 | 0 | 0 | 116.9 | |||||
| 604 | L | 22.6 | Very low | 24.4 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -84.7 | 155.6 | -167 | -77.6 | 150.7 | 0 | 0 | 0 | 117.4 | ||||
| 605 | S | 22.4 | Very low | 24.4 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | 79 | 124 | 135.4 | 179.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 606 | V | 21.9 | Very low | 24.4 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | 157.4 | 125.5 | 120.5 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 607 | C | 21.3 | Very low | 24.3 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -83.1 | 163.6 | 163.1 | -69.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 608 | P | 31.5 | Very low | 24.6 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | cis | -152.4 | -145.6 | 38.2 | 42.7 | -18.2 | 0 | 0 | 0 | 113.1 | ||||
| 609 | P | 30.2 | Very low | 25 | Very low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | cis | -120.2 | 177.3 | -37.1 | 28.5 | -7.3 | 0 | 0 | 0 | 114.5 | ||||
| 610 | M | 24.7 | Very low | 25.2 | Very low | 194 Ų | 194 | 129.4 Ų | 129.4 | 96% | 0.956 | 81% | 0.808 | S | S | * | * | trans | -15.8 | 133.5 | 168.3 | -87.9 | 179.1 | 164.3 | 0 | 0 | 119.7 | ||||
| 611 | A | 23.9 | Very low | 25.6 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -148.7 | 128.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 612 | E | 23.9 | Very low | 25.8 | Very low | 184 Ų | 184 | 131 Ų | 131 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -69.3 | 163.9 | 171.2 | -72.6 | 178.4 | 138 | 0 | 0 | 112.6 | ||||
| 613 | S | 23.7 | Very low | 26.1 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 92.9 | 128.5 | 156.9 | -51.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 614 | G | 23.3 | Very low | 26.2 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 128.9 | 99.5 | 142.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 615 | S | 25.5 | Very low | 26.4 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -18.9 | 126.5 | 143 | 174.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 616 | C | 24.9 | Very low | 26.9 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | -179.5 | 132.6 | 124.5 | -97.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 617 | C | 27.5 | Very low | 27.5 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -70.4 | 167.2 | 153.5 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 618 | T | 30 | Very low | 28.4 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | 98.2 | 134.3 | 178.6 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 619 | T | 29.8 | Very low | 29 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 64% | 0.644 | 77% | 0.77 | S | S | * | * | cis | -166.6 | 153.9 | 9.4 | 19.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 620 | H | 27.9 | Very low | 30 | Very low | 198 Ų | 198 | 128.5 Ų | 128.5 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | trans | -136.5 | 119.5 | 145 | -113.1 | -81.4 | 0 | 0 | 0 | 109.7 | ||||
| 621 | I | 30.4 | Very low | 31.5 | Very low | 142 Ų | 142 | 127 Ų | 127 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | trans | -88.9 | 135.4 | -178.7 | -69.7 | 165.1 | 0 | 0 | 0 | 108.9 | ||||
| 622 | A | 25.9 | Very low | 33.3 | Very low | 102 Ų | 102 | 125 Ų | 125 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | trans | -118.3 | 148.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 623 | N | 29 | Very low | 34.3 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | trans | -77.7 | 156.5 | -152.5 | -130.2 | -13.3 | 0 | 0 | 0 | 114.8 | ||||
| 624 | H | 29.1 | Very low | 34.9 | Very low | 164 Ų | 164 | 124.3 Ų | 124.3 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | trans | 76.1 | 92 | 167 | -52.3 | -65 | 0 | 0 | 0 | 118.8 | ||||
| 625 | S | 28.3 | Very low | 35.7 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -177.5 | 146.5 | 131 | 35.8 | 0 | 0 | 0 | 0 | 109.3 | L627 | S625-L627 PolarHBondContact O-N 3.23Š| ||
| 626 | Y | 32.2 | Very low | 36.2 | Very low | 239 Ų | 239 | 129.1 Ų | 129.1 | 94% | 0.937 | 70% | 0.696 | S | S | * | * | trans | -50.8 | 112.3 | 176.9 | -75.6 | -97.1 | 0 | 0 | 0 | 109.9 | ||||
| 627 | L | 33.7 | Very low | 36.8 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | trans | -79.3 | 124.9 | 175.6 | -77.1 | 165.3 | 0 | 0 | 0 | 108.8 | S625 | S625-L627 PolarHBondContact O-N 3.23Š| ||
| 628 | P | 40.9 | Very low | 37.3 | Very low | 46 Ų | 46 | 130.6 Ų | 130.6 | 30% | 0.299 | 69% | 0.686 | S | S | . | * | trans | -69.5 | 137.2 | 163.3 | 28.9 | -30.5 | 0 | 0 | 0 | 109.6 | E450 S630 | E450-P628 HydrophobicContact CB-CB 3.56Å; E450-P628 HydrophobicContact CG-CB 4.04Å; E450-P628 WeakPolarHBondContact O-CB 3.37Å; E450-P628 WeakPolarHBondContact OE2-CA 3.49Å; P628-S630 PolarHBondContact O-N 2.94Å | ||
| 629 | L | 44.2 | Very low | 37.7 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 54% | 0.539 | 68% | 0.68 | S | S | . | * | trans | -74.5 | 111.2 | 174.5 | -75.9 | 156.8 | 0 | 0 | 0 | 108.6 | E450 Y631 | E450-L629 VanDerWaalsContact CD-N 3.29Å; E450-L629 WeakPolarHBondContact CG-O 3.44Å; E450-L629 PolarHBondContact OE2-N 3.5Å; L629-Y631 HydrophobicContact CB-CD2 4.47Å; L629-Y631 HydrophobicContact CB-CE2 3.96Å; L629-Y631 HydrophobicContact CD2-CE2 4.42Å | ||
| 630 | S | 50.4 | Low | 38.2 | Very low | 49 Ų | 49 | 132.2 Ų | 132.2 | 34% | 0.343 | 68% | 0.682 | S | S | . | * | trans | -102 | 115.1 | 171.4 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | T448 P628 | T448-S630 WeakPolarHBondContact O-CA 3.32Å; T448-S630 VanDerWaalsContact O-CB 3.25Å; T448-S630 WeakPolarHBondContact O-CB 3.49Å; P628-S630 PolarHBondContact O-N 2.94Å | ||
| 631 | Y | 56.8 | Low | 38.9 | Very low | 162 Ų | 162 | 127.8 Ų | 127.8 | 64% | 0.635 | 67% | 0.666 | S | S | * | * | trans | -99.8 | 127.5 | 172 | -69.4 | -81.9 | 0 | 0 | 0 | 109.3 | G447 T448 L629 | G447-Y631 WeakPolarHBondContact CA-O 3.33Å; T448-Y631 PolarHBondContact N-O 3.45Å; T448-Y631 PolarHBondContact OG1-N 2.93Å; T448-Y631 PolarHBondContact OG1-O 2.97Å; L629-Y631 HydrophobicContact CB-CD2 4.47Å; L629-Y631 HydrophobicContact CB-CE2 3.96Å; L629-Y631 HydrophobicContact CD2-CE2 4.42Å | ||
| 632 | W | 62.8 | Low | 39.5 | Very low | 62 Ų | 62 | 126.8 Ų | 126.8 | 24% | 0.235 | 66% | 0.662 | C | S | . | * | B | Isolated β-bridge | trans | -106.5 | 134 | 177.7 | -55 | 103.3 | 0 | 0 | 0 | 109.3 | W410 P440 P441 G447 | W410-W632 HydrophobicContact CH2-CE3 4.18Å; W410-W632 AromaticContact CH2-CZ3 3.63Å; W410-W632 HydrophobicContact CH2-CZ3 3.63Å; W410-W632 HydrophobicContact CZ3-CZ3 4.25Å; P440-W632 HydrophobicContact CB-CD2 4.19Å; P440-W632 HydrophobicContact CB-CE3 3.93Å; P440-W632 HydrophobicContact CB-CH2 4.21Å; P440-W632 HydrophobicContact CB-CZ2 4.37Å; P440-W632 HydrophobicContact CB-CZ3 4Å; P440-W632 HydrophobicContact CG-CE3 4.34Å; P440-W632 HydrophobicContact CG-CH2 3.8Å; P440-W632 HydrophobicContact CG-CZ2 4.21Å; P440-W632 HydrophobicContact CG-CZ3 3.89Å; P441-W632 HydrophobicContact CG-CB 3.65Å; P441-W632 HydrophobicContact CG-CG 3.88Å; G447-W632 VanDerWaalsContact CA-CE3 3.5Å |
| 633 | Q | 43.9 | Very low | 40.6 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | trans | -88.6 | 125.3 | 172.9 | -79.3 | 174.6 | -20.5 | 0 | 0 | 109.8 | ||||
| 634 | Q | 35.3 | Very low | 41.5 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 68% | 0.678 | 64% | 0.644 | S | S | * | * | trans | -94.1 | 149.3 | 163.4 | -79.7 | -179.1 | -32.6 | 0 | 0 | 109.2 | ||||
| 635 | P | 40.7 | Very low | 42.6 | Very low | 163 Ų | 163 | 125.4 Ų | 125.4 | 100% | 1.058 | 63% | 0.634 | S | S | * | * | trans | -61.5 | 0 | 179.2 | 26.1 | -34.2 | 0 | 0 | 0 | 113.8 |
Retrieved 635 of 635 residues in 161.1 ms
(Link to these results)