| 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 | 42.5 | Very low | 54.7 | Low | 214 Ų | 214 | 136.3 Ų | 136.3 | 100% | 1.054 | 69% | 0.685 | S | S | * | * | 0 | 127.6 | 0 | -65.1 | 177.8 | 73.7 | 0 | 0 | 107.4 | D5 | M1-D5 WeakPolarHBondContact CA-OD2 3.47Å; M1-D5 VanDerWaalsContact CB-OD2 3.27Å; M1-D5 WeakPolarHBondContact CB-OD2 3.46Å; M1-D5 HydrophobicContact CE-CB 4.29Å; M1-D5 WeakPolarHBondContact CG-OD2 3.48Å | |||
| 2 | D | 47.4 | Very low | 54.8 | Low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | trans | -136 | 172.6 | 172.7 | -161.4 | -13.7 | 0 | 0 | 0 | 106.3 | K4 D5 | D2-K4 PolarHBondContact O-N 2.88Å; D2-D5 PolarHBondContact N-OD2 3.36Å; D2-D5 PolarHBondContact O-N 2.63Å | ||
| 3 | L | 52.8 | Low | 54.7 | Low | 141 Ų | 141 | 134.5 Ų | 134.5 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -0.3 | -157 | -144.6 | 71.5 | 0 | 0 | 0 | 117 | ||
| 4 | K | 53.1 | Low | 54.1 | Low | 182 Ų | 182 | 131.1 Ų | 131.1 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -36 | 174.4 | -115.4 | 176.2 | 178.4 | 179.2 | 0 | 113.6 | D2 Y6 Y7 | D2-K4 PolarHBondContact O-N 2.88Å; K4-Y6 PolarHBondContact O-N 2.9Å; K4-Y7 PolarHBondContact O-N 3.12Å |
| 5 | D | 53.6 | Low | 53.5 | Low | 82 Ų | 82 | 129.7 Ų | 129.7 | 44% | 0.439 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -65.5 | -26.7 | -168.4 | -57.5 | -33.3 | 0 | 0 | 0 | 112.6 | M1 D2 | M1-D5 WeakPolarHBondContact CA-OD2 3.47Å; M1-D5 VanDerWaalsContact CB-OD2 3.27Å; M1-D5 WeakPolarHBondContact CB-OD2 3.46Å; M1-D5 HydrophobicContact CE-CB 4.29Å; M1-D5 WeakPolarHBondContact CG-OD2 3.48Å; D2-D5 PolarHBondContact N-OD2 3.36Å; D2-D5 PolarHBondContact O-N 2.63Å |
| 6 | Y | 63.3 | Low | 52.9 | Low | 186 Ų | 186 | 129.8 Ų | 129.8 | 73% | 0.729 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -74.3 | -31.2 | -175.1 | -144.3 | -89.4 | 0 | 0 | 0 | 113.9 | K4 A10 | K4-Y6 PolarHBondContact O-N 2.9Å; Y6-A10 PolarHBondContact O-N 3.24Å |
| 7 | Y | 57 | Low | 52 | Low | 189 Ų | 189 | 137 Ų | 137 | 74% | 0.741 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -76.5 | -28.8 | -178.8 | -80.3 | -83.4 | 0 | 0 | 0 | 112.9 | K4 A11 | K4-Y7 PolarHBondContact O-N 3.12Å; Y7-A11 PolarHBondContact O-N 3.15Å |
| 8 | L | 56.8 | Low | 51.2 | Low | 127 Ų | 127 | 139.2 Ų | 139.2 | 67% | 0.665 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -71.3 | -38.6 | 177.9 | -162.1 | 70.1 | 0 | 0 | 0 | 111.5 | A10 A11 L12 | L8-A10 VanDerWaalsContact C-N 3.35Å; L8-A10 PolarHBondContact O-N 3.32Å; L8-A11 PolarHBondContact O-N 2.74Å; L8-L12 PolarHBondContact O-N 2.92Å |
| 9 | L | 59.8 | Low | 50.3 | Low | 110 Ų | 110 | 140.2 Ų | 140.2 | 58% | 0.576 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -65.4 | -37.5 | 177.2 | -167 | 68.3 | 0 | 0 | 0 | 112.2 | A11 | L9-A11 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 2.76Å |
| 10 | A | 58 | Low | 50 | Low | 64 Ų | 64 | 138.9 Ų | 138.9 | 53% | 0.529 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -67.3 | -31 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y6 L8 | Y6-A10 PolarHBondContact O-N 3.24Å; L8-A10 VanDerWaalsContact C-N 3.35Å; L8-A10 PolarHBondContact O-N 3.32Å |
| 11 | A | 56.9 | Low | 49.4 | Very low | 63 Ų | 63 | 138 Ų | 138 | 52% | 0.521 | 73% | 0.728 | S | S | . | * | H | α-helix | trans | -73.7 | -36.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y7 L8 L9 | Y7-A11 PolarHBondContact O-N 3.15Å; L8-A11 PolarHBondContact O-N 2.74Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 2.76Å |
| 12 | L | 56.1 | Low | 49.4 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 62% | 0.623 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -71.8 | -29.7 | -177.6 | -80.6 | 161.4 | 0 | 0 | 0 | 113.8 | L8 A14 | L8-L12 PolarHBondContact O-N 2.92Å; L12-A14 PolarHBondContact O-N 3.45Å |
| 13 | L | 54 | Low | 49 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 69% | 0.686 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -9.3 | -179.9 | -84 | 161.9 | 0 | 0 | 0 | 114.5 | ||
| 14 | A | 45.8 | Very low | 49.1 | Very low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | L12 | L12-A14 PolarHBondContact O-N 3.45Š|
| 15 | C | 45.8 | Very low | 49.6 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -108.1 | 7.4 | -166.3 | -65.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 16 | I | 44 | Very low | 50.6 | Low | 132 Ų | 132 | 124.9 Ų | 124.9 | 68% | 0.677 | 68% | 0.677 | S | S | * | * | trans | -109.3 | 45.5 | -166.7 | -36.5 | -178.7 | 0 | 0 | 0 | 113.1 | ||||
| 17 | W | 36.8 | Very low | 51.4 | Low | 252 Ų | 252 | 120.5 Ų | 120.5 | 96% | 0.955 | 67% | 0.665 | S | S | * | * | trans | -147.2 | 71 | 173.4 | -87.7 | 86.7 | 0 | 0 | 0 | 112.2 | ||||
| 18 | L | 37.1 | Very low | 52.6 | Low | 177 Ų | 177 | 112.7 Ų | 112.7 | 93% | 0.927 | 63% | 0.634 | S | S | * | * | trans | -145.5 | 142.9 | 162.2 | -91.9 | 175.5 | 0 | 0 | 0 | 109.8 | ||||
| 19 | D | 34.2 | Very low | 53.7 | Low | 158 Ų | 158 | 110.7 Ų | 110.7 | 85% | 0.845 | 63% | 0.629 | S | S | * | * | trans | -76.8 | 153.3 | -170.9 | -88.6 | -57.5 | 0 | 0 | 0 | 114.8 | ||||
| 20 | P | 44 | Very low | 54.9 | Low | 113 Ų | 113 | 106.2 Ų | 106.2 | 73% | 0.734 | 61% | 0.605 | S | S | * | * | trans | -84.4 | 148.9 | -175.7 | 34.2 | -35.6 | 0 | 0 | 0 | 113.7 | ||||
| 21 | S | 37.4 | Very low | 56 | Low | 121 Ų | 121 | 111.4 Ų | 111.4 | 85% | 0.846 | 61% | 0.611 | S | S | * | * | trans | -135.6 | 144.7 | 157.8 | 55.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 22 | I | 43.1 | Very low | 57.3 | Low | 132 Ų | 132 | 108.8 Ų | 108.8 | 68% | 0.677 | 59% | 0.588 | S | S | * | * | trans | -104 | 125.2 | -149.5 | -63.4 | 164.4 | 0 | 0 | 0 | 112.7 | Q24 | I22-Q24 HydrophobicContact CG2-CG 3.8Š| ||
| 23 | A | 39.8 | Very low | 58.4 | Low | 101 Ų | 101 | 106 Ų | 106 | 84% | 0.835 | 57% | 0.572 | S | S | * | * | trans | -98.3 | 135.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 24 | Q | 54.5 | Low | 59.8 | Low | 115 Ų | 115 | 102 Ų | 102 | 54% | 0.537 | 55% | 0.551 | S | S | . | * | trans | -121.8 | 131.9 | 173.3 | -84.7 | 169.9 | -46.6 | 0 | 0 | 108.4 | I22 L47 | I22-Q24 HydrophobicContact CG2-CG 3.8Å; Q24-L47 HydrophobicContact CB-CD2 4.09Å | ||
| 25 | E | 64.3 | Low | 61.4 | Low | 118 Ų | 118 | 105.2 Ų | 105.2 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | trans | -113.5 | 137.1 | 179.1 | -173.6 | 160.4 | -113.4 | 0 | 0 | 108.8 | ||||
| 26 | L | 74.9 | Confident | 63.1 | Low | 19 Ų | 19 | 105 Ų | 105 | 10% | 0.099 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139.5 | 178.1 | -74.5 | 170.7 | 0 | 0 | 0 | 110 | Y28 I43 D46 L47 I125 K126 I127 K128 | L26-Y28 HydrophobicContact CB-CE2 4.14Å; L26-Y28 HydrophobicContact CD1-CE2 4.34Å; L26-I43 HydrophobicContact CD1-CG1 4.33Å; L26-I43 HydrophobicContact CD1-CG2 4.4Å; L26-D46 HydrophobicContact CD2-CB 4.02Å; L26-L47 HydrophobicContact CD1-CD1 3.94Å; L26-L47 HydrophobicContact CD1-CD2 4.45Å; L26-L47 HydrophobicContact CD1-CG 3.98Å; L26-L47 HydrophobicContact CD2-CD2 4.15Å; L26-L47 HydrophobicContact CD2-CG 4.28Å; L26-L47 HydrophobicContact CG-CD1 4.43Å; L26-L47 HydrophobicContact CG-CD2 4.13Å; L26-L47 HydrophobicContact CG-CG 4.2Å; L26-I125 HydrophobicContact CD1-CG2 4.2Å; L26-K126 PolarHBondContact N-O 3.31Å; L26-I127 HydrophobicContact CB-CB 4.35Å; L26-I127 HydrophobicContact CB-CG1 4.11Å; L26-I127 HydrophobicContact CB-CG2 3.95Å; L26-I127 HydrophobicContact CD1-CD1 4.02Å; L26-I127 HydrophobicContact CD1-CG1 4.23Å; L26-I127 CarbonylContact O-C 3.56Å; L26-I127 VanDerWaalsContact O-CA 3.3Å; L26-I127 WeakPolarHBondContact O-CA 3.3Å; L26-K128 PolarHBondContact O-N 3.11Å |
| 27 | I | 79.1 | Confident | 64.8 | Low | 94 Ų | 94 | 102 Ų | 102 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126 | 177.3 | -53.3 | -178.3 | 0 | 0 | 0 | 109.2 | K128 I130 | I27-K128 CarbonylContact C-O 3.54Å; I27-K128 VanDerWaalsContact CA-O 3.28Å; I27-K128 WeakPolarHBondContact CA-O 3.32Å; I27-K128 HydrophobicContact CG1-CB 4.43Å; I27-I130 HydrophobicContact CG2-CD1 3.48Å; I27-I130 VanDerWaalsContact CG2-CD1 3.48Å; I27-I130 HydrophobicContact CG2-CG1 4.21Å |
| 28 | Y | 83 | Confident | 67.1 | Low | 25 Ų | 25 | 92.4 Ų | 92.4 | 10% | 0.098 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.4 | 177.8 | -64.6 | -72.2 | 0 | 0 | 0 | 111.2 | L26 I40 D46 I85 I127 K128 I129 I130 | L26-Y28 HydrophobicContact CB-CE2 4.14Å; L26-Y28 HydrophobicContact CD1-CE2 4.34Å; Y28-I40 HydrophobicContact CD1-CG2 4.46Å; Y28-I40 WeakPolarHBondContact CD1-O 3.38Å; Y28-I40 HydrophobicContact CD2-CG2 4.28Å; Y28-I40 HydrophobicContact CG-CG2 3.91Å; Y28-D46 PolarHBondContact OH-OD2 3.5Å; Y28-I85 HydrophobicContact CD2-CD1 4.06Å; Y28-I85 HydrophobicContact CE2-CD1 3.54Å; Y28-I127 HydrophobicContact CD2-CG2 3.45Å; Y28-I127 VanDerWaalsContact CD2-CG2 3.45Å; Y28-I127 HydrophobicContact CE2-CG2 3.6Å; Y28-K128 PolarHBondContact N-O 3.29Å; Y28-I129 WeakPolarHBondContact O-CA 3.4Å; Y28-I130 PolarHBondContact O-N 2.88Å |
| 29 | P | 79.7 | Confident | 69.3 | Low | 85 Ų | 85 | 88.4 Ų | 88.4 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.4 | 170.8 | 31.6 | -31.4 | 0 | 0 | 0 | 110.6 | ||
| 30 | I | 83.9 | Confident | 71.6 | Confident | 15 Ų | 15 | 82 Ų | 82 | 8% | 0.077 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 166.1 | 172.9 | 61.8 | 169.7 | 0 | 0 | 0 | 110.3 | L34 I40 I92 F110 I129 I130 V131 K132 | I30-L34 HydrophobicContact CB-CD1 3.85Å; I30-L34 HydrophobicContact CD1-CD1 4.46Å; I30-L34 HydrophobicContact CG2-CD1 4.17Å; I30-I40 HydrophobicContact CG2-CG1 4.24Å; I30-I40 HydrophobicContact CG2-CG2 3.97Å; I30-I92 HydrophobicContact CD1-CD1 3.53Å; I30-I92 HydrophobicContact CD1-CG2 4.21Å; I30-F110 HydrophobicContact CD1-CE1 4.39Å; I30-I129 HydrophobicContact CD1-CG2 3.48Å; I30-I129 VanDerWaalsContact CD1-CG2 3.48Å; I30-I129 HydrophobicContact CG1-CG2 3.63Å; I30-I129 HydrophobicContact CG2-CG2 4.27Å; I30-I130 WeakPolarHBondContact CG1-O 3.36Å; I30-I130 PolarHBondContact N-O 3.16Å; I30-V131 HydrophobicContact CD1-CG2 4.36Å; I30-V131 HydrophobicContact CG1-CG2 4.4Å; I30-K132 WeakPolarHBondContact O-CB 3.06Å; I30-K132 WeakPolarHBondContact O-CG 3.45Å; I30-K132 PolarHBondContact O-N 3.24Å |
| 31 | R | 81.4 | Confident | 73.4 | Confident | 174 Ų | 174 | 77.1 Ų | 77.1 | 66% | 0.657 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 162.8 | 156.8 | -66.6 | -175.8 | -175.6 | 175.2 | -1.4 | 108.8 | L34 K132 | R31-L34 WeakPolarHBondContact O-CD1 3.44Å; R31-L34 WeakPolarHBondContact O-CG 3.42Å; R31-K132 HydrophobicContact CG-CB 4.49Å |
| 32 | E | 83.7 | Confident | 75.5 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 3% | 0.033 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -70.9 | 178.7 | 162.6 | 71.2 | -166.6 | 122.9 | 0 | 0 | 112.8 | L34 I92 R94 V131 K132 D133 T134 | E32-L34 PolarHBondContact O-N 2.94Å; E32-I92 CarbonylContact C-O 3.59Å; E32-I92 VanDerWaalsContact CA-O 3.3Å; E32-I92 WeakPolarHBondContact CA-O 3.48Å; E32-I92 VanDerWaalsContact CB-O 3.23Å; E32-I92 WeakPolarHBondContact CB-O 3.49Å; E32-R94 HydrophobicContact CB-CB 4.46Å; E32-R94 WeakPolarHBondContact OE2-CA 3.46Å; E32-R94 WeakPolarHBondContact OE2-CB 3.3Å; E32-R94 PolarHBondContact OE2-N 2.78Å; E32-V131 HydrophobicContact CB-CG1 3.74Å; E32-K132 PolarHBondContact N-O 3.08Å; E32-D133 VanDerWaalsContact OE1-C 3.31Å; E32-D133 WeakPolarHBondContact OE1-CA 3.25Å; E32-T134 PolarHBondContact OE1-N 3.33Å |
| 33 | E | 81.1 | Confident | 77.1 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 29% | 0.29 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 51.5 | 23.8 | 176 | -70.9 | -64.4 | 94.1 | 0 | 0 | 114.8 | R91 I92 | E33-R91 VanDerWaalsContact OE1-CB 3.28Å; E33-R91 WeakPolarHBondContact OE1-CB 3.43Å; E33-R91 WeakPolarHBondContact OE1-CD 3.12Å; E33-R91 WeakPolarHBondContact OE2-CD 3.24Å; E33-R91 IonicContact OE2-CZ 2.84Å; E33-R91 IonicContact OE2-NE 3.9Å; E33-R91 IonicContact OE2-NH1 2.72Å; E33-R91 PolarHBondContact OE2-NH1 3.4Å; E33-I92 PolarHBondContact N-O 2.84Å |
| 34 | L | 81.3 | Confident | 78.5 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -62 | 139.1 | 172.5 | -74.5 | 179.1 | 0 | 0 | 0 | 111 | I30 R31 E32 V38 T87 | I30-L34 HydrophobicContact CB-CD1 3.85Å; I30-L34 HydrophobicContact CD1-CD1 4.46Å; I30-L34 HydrophobicContact CG2-CD1 4.17Å; R31-L34 WeakPolarHBondContact O-CD1 3.44Å; R31-L34 WeakPolarHBondContact O-CG 3.42Å; E32-L34 PolarHBondContact O-N 2.94Å; L34-V38 HydrophobicContact CD1-CG1 4.39Å; L34-V38 HydrophobicContact CD2-CG1 4.44Å; L34-T87 HydrophobicContact CB-CG2 4.11Å; L34-T87 HydrophobicContact CD1-CG2 4.31Å |
| 35 | Q | 80.6 | Confident | 79.4 | Confident | 152 Ų | 152 | 64.7 Ų | 64.7 | 71% | 0.71 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 157.5 | 175.4 | -62.5 | -177.9 | -6.6 | 0 | 0 | 111.1 | V38 T87 | Q35-V38 HydrophobicContact CB-CG2 4.32Å; Q35-V38 VanDerWaalsContact O-CG2 3.31Å; Q35-V38 WeakPolarHBondContact O-CG2 3.49Å; Q35-T87 PolarHBondContact O-OG1 3.05Å |
| 36 | E | 81.9 | Confident | 79.9 | Confident | 105 Ų | 105 | 62.5 Ų | 62.5 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 143.8 | 174.5 | -171.9 | -171.8 | 151.4 | 0 | 0 | 111 | V38 S89 | E36-V38 VanDerWaalsContact C-N 3.34Å; E36-V38 PolarHBondContact O-N 3.34Å; E36-S89 WeakPolarHBondContact OE2-CB 3.31Å |
| 37 | N | 79.9 | Confident | 79.8 | Confident | 69 Ų | 69 | 62.4 Ų | 62.4 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 28.9 | 178.4 | -55.4 | -57.4 | 0 | 0 | 0 | 115.3 | R77 F86 T87 | N37-R77 VanDerWaalsContact OD1-CZ 3.22Å; N37-R77 PolarHBondContact OD1-NE 3.42Å; N37-R77 PolarHBondContact OD1-NH2 3.08Å; N37-F86 WeakPolarHBondContact O-CD1 3.48Å; N37-T87 PolarHBondContact N-O 2.95Å; N37-T87 VanDerWaalsContact N-O 3.16Å; N37-T87 PolarHBondContact N-OG1 2.82Å |
| 38 | V | 83.8 | Confident | 79.2 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | trans | -78 | 131 | 162.5 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | L34 Q35 E36 F86 T87 | L34-V38 HydrophobicContact CD1-CG1 4.39Å; L34-V38 HydrophobicContact CD2-CG1 4.44Å; Q35-V38 HydrophobicContact CB-CG2 4.32Å; Q35-V38 VanDerWaalsContact O-CG2 3.31Å; Q35-V38 WeakPolarHBondContact O-CG2 3.49Å; E36-V38 VanDerWaalsContact C-N 3.34Å; E36-V38 PolarHBondContact O-N 3.34Å; V38-F86 CarbonylContact O-C 3.59Å; V38-F86 VanDerWaalsContact O-CA 3.25Å; V38-F86 WeakPolarHBondContact O-CA 3.46Å; V38-T87 HydrophobicContact CB-CG2 4.31Å; V38-T87 PolarHBondContact N-OG1 3.48Å; V38-T87 PolarHBondContact O-N 3.36Å | ||
| 39 | L | 82.9 | Confident | 78.4 | Confident | 93 Ų | 93 | 65.5 Ų | 65.5 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 127.6 | 174.9 | 178.2 | 71.2 | 0 | 0 | 0 | 110.4 | E84 F86 | L39-E84 HydrophobicContact CD1-CB 3.9Å; L39-E84 HydrophobicContact CD1-CG 4.25Å; L39-F86 HydrophobicContact CB-CD1 4.18Å; L39-F86 HydrophobicContact CB-CE1 3.72Å; L39-F86 HydrophobicContact CB-CZ 4.04Å; L39-F86 HydrophobicContact CD1-CD2 4.2Å; L39-F86 HydrophobicContact CD1-CE1 4.16Å; L39-F86 HydrophobicContact CD1-CE2 3.67Å; L39-F86 HydrophobicContact CD1-CZ 3.65Å; L39-F86 HydrophobicContact CG-CZ 4.39Å |
| 40 | I | 83.1 | Confident | 77.3 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -39.1 | 179.5 | -61.8 | 172.8 | 0 | 0 | 0 | 111.5 | Y28 I30 V76 I85 T87 | Y28-I40 HydrophobicContact CD1-CG2 4.46Å; Y28-I40 WeakPolarHBondContact CD1-O 3.38Å; Y28-I40 HydrophobicContact CD2-CG2 4.28Å; Y28-I40 HydrophobicContact CG-CG2 3.91Å; I30-I40 HydrophobicContact CG2-CG1 4.24Å; I30-I40 HydrophobicContact CG2-CG2 3.97Å; I40-V76 HydrophobicContact CD1-CB 4.33Å; I40-V76 HydrophobicContact CD1-CG1 3.4Å; I40-V76 VanDerWaalsContact CD1-CG1 3.4Å; I40-I85 HydrophobicContact CB-CB 4.22Å; I40-I85 HydrophobicContact CB-CG2 4.16Å; I40-I85 HydrophobicContact CD1-CG2 4.27Å; I40-I85 PolarHBondContact N-O 2.97Å; I40-T87 HydrophobicContact CD1-CG2 3.9Å; I40-T87 HydrophobicContact CG1-CG2 4.34Å |
| 41 | G | 82.3 | Confident | 76.2 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 9% | 0.093 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 170.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E84 I85 | G41-E84 WeakPolarHBondContact O-CA 3.42Å; G41-I85 PolarHBondContact O-N 3.28Å |
| 42 | N | 81.1 | Confident | 74.9 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 18% | 0.176 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 98.8 | -177.5 | -177.1 | -52.5 | 0 | 0 | 0 | 111 | P44 K45 D46 E84 | N42-P44 WeakPolarHBondContact OD1-CD 3.29Å; N42-P44 WeakPolarHBondContact OD1-CG 3.44Å; N42-K45 HydrophobicContact CB-CB 4.12Å; N42-K45 HydrophobicContact CB-CD 4.5Å; N42-K45 PolarHBondContact O-N 3.48Å; N42-K45 WeakPolarHBondContact OD1-CB 3.35Å; N42-K45 PolarHBondContact OD1-N 3.11Å; N42-K45 VanDerWaalsContact OD1-N 3.16Å; N42-D46 PolarHBondContact N-OD2 3.01Å; N42-D46 VanDerWaalsContact N-OD2 3.11Å; N42-D46 WeakPolarHBondContact O-CB 3.48Å; N42-D46 PolarHBondContact O-N 3.13Å; N42-D46 VanDerWaalsContact O-OD2 3.09Å; N42-E84 HydrophobicContact CB-CG 4.02Å; N42-E84 WeakPolarHBondContact ND2-CG 3.4Å; N42-E84 PolarHBondContact ND2-OE1 2.89Å; N42-E84 VanDerWaalsContact ND2-OE1 3.1Å |
| 43 | I | 77.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.4 | -50.2 | -169.2 | -61.8 | 168.2 | 0 | 0 | 0 | 113.8 | L26 K45 D46 L47 Y64 V78 G83 I85 V114 I125 I127 | L26-I43 HydrophobicContact CD1-CG1 4.33Å; L26-I43 HydrophobicContact CD1-CG2 4.4Å; I43-K45 PolarHBondContact O-N 2.91Å; I43-D46 PolarHBondContact O-N 2.72Å; I43-L47 HydrophobicContact CG2-CD1 3.96Å; I43-L47 WeakPolarHBondContact O-CB 3.47Å; I43-L47 PolarHBondContact O-N 3.03Å; I43-Y64 HydrophobicContact CG2-CD1 4.47Å; I43-V78 HydrophobicContact CD1-CG1 4.06Å; I43-G83 VanDerWaalsContact CB-O 3.31Å; I43-G83 WeakPolarHBondContact CB-O 3.32Å; I43-G83 WeakPolarHBondContact CD1-O 3.08Å; I43-G83 VanDerWaalsContact CG1-O 3.24Å; I43-G83 WeakPolarHBondContact CG1-O 2.92Å; I43-G83 PolarHBondContact N-O 2.97Å; I43-I85 HydrophobicContact CD1-CD1 4.07Å; I43-I85 HydrophobicContact CD1-CG1 3.95Å; I43-I85 HydrophobicContact CG1-CD1 3.95Å; I43-I85 HydrophobicContact CG1-CG1 4.06Å; I43-V114 HydrophobicContact CD1-CB 4.04Å; I43-V114 HydrophobicContact CD1-CG1 3.82Å; I43-V114 HydrophobicContact CD1-CG2 3.82Å; I43-I125 HydrophobicContact CG2-CD1 3.72Å; I43-I127 HydrophobicContact CD1-CD1 3.63Å; I43-I127 HydrophobicContact CG1-CD1 3.81Å |
| 44 | P | 68.8 | Low | 72.3 | Confident | 17 Ų | 17 | 69 Ų | 69 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.2 | -33.4 | -179.7 | 20.8 | -29.8 | 0 | 0 | 0 | 114 | N42 N48 I49 Y64 T82 | N42-P44 WeakPolarHBondContact OD1-CD 3.29Å; N42-P44 WeakPolarHBondContact OD1-CG 3.44Å; P44-N48 WeakPolarHBondContact O-CA 3.42Å; P44-N48 PolarHBondContact O-N 2.84Å; P44-I49 PolarHBondContact O-N 3.46Å; P44-Y64 HydrophobicContact CB-CE1 4.23Å; P44-Y64 WeakPolarHBondContact CB-OH 3.41Å; P44-Y64 HydrophobicContact CG-CE1 4.24Å; P44-Y64 HydrophobicContact CG-CE2 4.32Å; P44-T82 WeakPolarHBondContact CD-O 3.36Å; P44-T82 WeakPolarHBondContact CG-O 3.46Å |
| 45 | K | 73.5 | Confident | 71.2 | Confident | 159 Ų | 159 | 71.1 Ų | 71.1 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.7 | -47.9 | 175.7 | -177 | -169.1 | 176 | -164.4 | 0 | 110.6 | N42 I43 L47 N48 | N42-K45 HydrophobicContact CB-CB 4.12Å; N42-K45 HydrophobicContact CB-CD 4.5Å; N42-K45 PolarHBondContact O-N 3.48Å; N42-K45 WeakPolarHBondContact OD1-CB 3.35Å; N42-K45 PolarHBondContact OD1-N 3.11Å; N42-K45 VanDerWaalsContact OD1-N 3.16Å; I43-K45 PolarHBondContact O-N 2.91Å; K45-L47 VanDerWaalsContact C-N 3.31Å; K45-L47 PolarHBondContact O-N 3.42Å; K45-N48 PolarHBondContact O-N 2.92Å |
| 46 | D | 74.8 | Confident | 70 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -78.3 | -17.9 | -172.1 | -55.7 | -24.5 | 0 | 0 | 0 | 112 | L26 Y28 N42 I43 | L26-D46 HydrophobicContact CD2-CB 4.02Å; Y28-D46 PolarHBondContact OH-OD2 3.5Å; N42-D46 PolarHBondContact N-OD2 3.01Å; N42-D46 VanDerWaalsContact N-OD2 3.11Å; N42-D46 WeakPolarHBondContact O-CB 3.48Å; N42-D46 PolarHBondContact O-N 3.13Å; N42-D46 VanDerWaalsContact O-OD2 3.09Å; I43-D46 PolarHBondContact O-N 2.72Å |
| 47 | L | 71.8 | Confident | 68.9 | Low | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.089 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 7.5 | 169.3 | -65.8 | 172.9 | 0 | 0 | 0 | 114.6 | Q24 L26 I43 K45 I49 I125 | Q24-L47 HydrophobicContact CB-CD2 4.09Å; L26-L47 HydrophobicContact CD1-CD1 3.94Å; L26-L47 HydrophobicContact CD1-CD2 4.45Å; L26-L47 HydrophobicContact CD1-CG 3.98Å; L26-L47 HydrophobicContact CD2-CD2 4.15Å; L26-L47 HydrophobicContact CD2-CG 4.28Å; L26-L47 HydrophobicContact CG-CD1 4.43Å; L26-L47 HydrophobicContact CG-CD2 4.13Å; L26-L47 HydrophobicContact CG-CG 4.2Å; I43-L47 HydrophobicContact CG2-CD1 3.96Å; I43-L47 WeakPolarHBondContact O-CB 3.47Å; I43-L47 PolarHBondContact O-N 3.03Å; K45-L47 VanDerWaalsContact C-N 3.31Å; K45-L47 PolarHBondContact O-N 3.42Å; L47-I49 HydrophobicContact CB-CD1 4.11Å; L47-I49 HydrophobicContact CB-CG1 4.01Å; L47-I49 PolarHBondContact O-N 2.82Å; L47-I125 HydrophobicContact CD1-CD1 3.43Å; L47-I125 VanDerWaalsContact CD1-CD1 3.43Å; L47-I125 HydrophobicContact CD1-CG1 3.8Å; L47-I125 HydrophobicContact CD1-CG2 3.94Å |
| 48 | N | 66.7 | Low | 67.4 | Low | 150 Ų | 150 | 67.7 Ų | 67.7 | 80% | 0.802 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 50.4 | 174.7 | -164 | 19.7 | 0 | 0 | 0 | 114.9 | P44 K45 | P44-N48 WeakPolarHBondContact O-CA 3.42Å; P44-N48 PolarHBondContact O-N 2.84Å; K45-N48 PolarHBondContact O-N 2.92Å |
| 49 | I | 66.1 | Low | 66.1 | Low | 34 Ų | 34 | 69.6 Ų | 69.6 | 17% | 0.174 | 44% | 0.439 | C | S | . | . | trans | -88.9 | 118.2 | -173.6 | -55.8 | -178.5 | 0 | 0 | 0 | 111 | P44 L47 L62 I116 | P44-I49 PolarHBondContact O-N 3.46Å; L47-I49 HydrophobicContact CB-CD1 4.11Å; L47-I49 HydrophobicContact CB-CG1 4.01Å; L47-I49 PolarHBondContact O-N 2.82Å; I49-L62 HydrophobicContact CG2-CD1 3.72Å; I49-I116 HydrophobicContact CD1-CD1 3.39Å | ||
| 50 | S | 57.1 | Low | 65 | Low | 76 Ų | 76 | 66.1 Ų | 66.1 | 53% | 0.531 | 42% | 0.424 | S | S | . | . | trans | -83.6 | 137.3 | 179.4 | 180 | 0 | 0 | 0 | 0 | 113.2 | T52 | S50-T52 PolarHBondContact OG-OG1 3.2Š| ||
| 51 | H | 60.4 | Low | 64 | Low | 74 Ų | 74 | 71.9 Ų | 71.9 | 34% | 0.343 | 46% | 0.455 | S | S | . | . | trans | -94 | 2.9 | -176.6 | -75.8 | -93.4 | 0 | 0 | 0 | 115.2 | A60 | H51-A60 PolarHBondContact ND1-O 2.92Å; H51-A60 PolarHBondContact O-N 3.11Å | ||
| 52 | T | 55.2 | Low | 63.5 | Low | 95 Ų | 95 | 72 Ų | 72 | 58% | 0.583 | 45% | 0.453 | S | S | * | . | B | Isolated β-bridge | trans | -103.9 | 125.8 | -175.9 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | S50 | S50-T52 PolarHBondContact OG-OG1 3.2Å |
| 53 | N | 54.3 | Low | 63.2 | Low | 65 Ų | 65 | 73.7 Ų | 73.7 | 35% | 0.348 | 47% | 0.465 | S | S | . | . | trans | -89.4 | 113.2 | -176.1 | -156.3 | -18.1 | 0 | 0 | 0 | 111.6 | A55 T56 G57 A58 | N53-A55 VanDerWaalsContact C-N 3.29Å; N53-A55 PolarHBondContact O-N 3.42Å; N53-A55 VanDerWaalsContact O-N 3.16Å; N53-T56 PolarHBondContact O-N 3.43Å; N53-G57 PolarHBondContact O-N 2.97Å; N53-A58 PolarHBondContact N-O 3.09Å | ||
| 54 | A | 56.1 | Low | 63.3 | Low | 105 Ų | 105 | 73.8 Ų | 73.8 | 87% | 0.868 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -16.4 | -159.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 55 | A | 56.8 | Low | 63.8 | Low | 93 Ų | 93 | 81.4 Ų | 81.4 | 77% | 0.769 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -19.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | N53 | N53-A55 VanDerWaalsContact C-N 3.29Å; N53-A55 PolarHBondContact O-N 3.42Å; N53-A55 VanDerWaalsContact O-N 3.16Å |
| 56 | T | 55.8 | Low | 64.2 | Low | 114 Ų | 114 | 75.5 Ų | 75.5 | 70% | 0.699 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.2 | -4.7 | -170.7 | 52.6 | 0 | 0 | 0 | 0 | 115.2 | N53 A58 | N53-T56 PolarHBondContact O-N 3.43Å; T56-A58 VanDerWaalsContact C-N 3.3Å; T56-A58 PolarHBondContact O-N 3.46Å |
| 57 | G | 58.2 | Low | 64.3 | Low | 78 Ų | 78 | 75.5 Ų | 75.5 | 80% | 0.804 | 47% | 0.47 | S | S | * | . | trans | 74 | 14 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N53 | N53-G57 PolarHBondContact O-N 2.97Š| ||
| 58 | A | 50.1 | Low | 64.2 | Low | 61 Ų | 61 | 77.9 Ų | 77.9 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 149.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N53 T56 | N53-A58 PolarHBondContact N-O 3.09Å; T56-A58 VanDerWaalsContact C-N 3.3Å; T56-A58 PolarHBondContact O-N 3.46Å |
| 59 | S | 56.4 | Low | 64.3 | Low | 92 Ų | 92 | 78.5 Ų | 78.5 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | B | Isolated β-bridge | trans | -81.7 | 138.1 | 178.8 | -162.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 60 | A | 57.9 | Low | 63.5 | Low | 21 Ų | 21 | 82.4 Ų | 82.4 | 17% | 0.174 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -99 | 119.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H51 L62 | H51-A60 PolarHBondContact ND1-O 2.92Å; H51-A60 PolarHBondContact O-N 3.11Å; A60-L62 PolarHBondContact O-N 3.37Å |
| 61 | N | 63.7 | Low | 63.7 | Low | 144 Ų | 144 | 82.3 Ų | 82.3 | 77% | 0.77 | 53% | 0.532 | S | S | * | . | trans | -76.1 | 104.5 | 169.5 | -77.6 | -7.3 | 0 | 0 | 0 | 109.3 | ||||
| 62 | L | 71.9 | Confident | 64 | Low | 11 Ų | 11 | 83.3 Ų | 83.3 | 6% | 0.058 | 54% | 0.54 | C | S | . | . | trans | -86.1 | 147.8 | 171.6 | -58.5 | 179.1 | 0 | 0 | 0 | 110.3 | I49 A60 Y64 I116 L117 Y121 | I49-L62 HydrophobicContact CG2-CD1 3.72Å; A60-L62 PolarHBondContact O-N 3.37Å; L62-Y64 HydrophobicContact CB-CE2 4.33Å; L62-I116 HydrophobicContact CB-CG2 4.2Å; L62-I116 HydrophobicContact CD1-CG2 4.35Å; L62-I116 HydrophobicContact CD2-CG2 4.3Å; L62-L117 CarbonylContact C-O 3.58Å; L62-L117 VanDerWaalsContact CA-O 3.31Å; L62-L117 WeakPolarHBondContact CA-O 3.27Å; L62-Y121 HydrophobicContact CD2-CD1 4.28Å; L62-Y121 HydrophobicContact CD2-CG 4.04Å | ||
| 63 | V | 74.6 | Confident | 64.8 | Low | 70 Ų | 70 | 84.9 Ų | 84.9 | 42% | 0.424 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.9 | 177.9 | -179 | 0 | 0 | 0 | 0 | 109.7 | S80 I116 L117 | V63-S80 WeakPolarHBondContact CA-O 3.44Å; V63-I116 WeakPolarHBondContact O-CA 3.45Å; V63-L117 PolarHBondContact N-O 3.35Å; V63-L117 PolarHBondContact O-N 3.14Å |
| 64 | Y | 79.9 | Confident | 65.7 | Low | 1 Ų | 1 | 84.2 Ų | 84.2 | 0% | 0.004 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 142 | 179.7 | -56.4 | -92.4 | 0 | 0 | 0 | 110 | I43 P44 L62 S80 G83 V115 I116 | I43-Y64 HydrophobicContact CG2-CD1 4.47Å; P44-Y64 HydrophobicContact CB-CE1 4.23Å; P44-Y64 WeakPolarHBondContact CB-OH 3.41Å; P44-Y64 HydrophobicContact CG-CE1 4.24Å; P44-Y64 HydrophobicContact CG-CE2 4.32Å; L62-Y64 HydrophobicContact CB-CE2 4.33Å; Y64-S80 PolarHBondContact N-O 2.89Å; Y64-S80 WeakPolarHBondContact O-CA 3.22Å; Y64-S80 VanDerWaalsContact O-CB 3.24Å; Y64-S80 WeakPolarHBondContact O-CB 3.23Å; Y64-G83 VanDerWaalsContact CG-CA 3.49Å; Y64-V115 CarbonylContact C-O 3.59Å; Y64-V115 WeakPolarHBondContact CA-O 3.25Å; Y64-I116 HydrophobicContact CD1-CD1 4.16Å; Y64-I116 HydrophobicContact CD1-CG1 3.82Å; Y64-I116 HydrophobicContact CE1-CD1 3.6Å; Y64-I116 HydrophobicContact CE1-CG1 3.73Å; Y64-I116 HydrophobicContact CE1-CG2 4.43Å |
| 65 | R | 78.5 | Confident | 66.9 | Low | 178 Ų | 178 | 81.1 Ų | 81.1 | 67% | 0.672 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 122.5 | 177.2 | -153.2 | 173.9 | -164.8 | 162.9 | 4.7 | 111.7 | V114 V115 | R65-V114 WeakPolarHBondContact O-CA 3.32Å; R65-V115 PolarHBondContact N-O 3.41Å; R65-V115 PolarHBondContact O-N 3.34Å |
| 66 | L | 80.8 | Confident | 68.1 | Low | 34 Ų | 34 | 76.8 Ų | 76.8 | 18% | 0.178 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 135.3 | 169 | -176.2 | 69.6 | 0 | 0 | 0 | 109.6 | P74 V76 V78 I112 V114 | L66-P74 HydrophobicContact CD2-CB 3.94Å; L66-P74 HydrophobicContact CD2-CG 4.12Å; L66-V76 WeakPolarHBondContact CD2-O 3.36Å; L66-V78 HydrophobicContact CB-CB 4.34Å; L66-V78 HydrophobicContact CB-CG2 4.09Å; L66-V78 HydrophobicContact CD1-CG2 4.13Å; L66-I112 HydrophobicContact CD1-CB 4.06Å; L66-I112 HydrophobicContact CD1-CD1 4.31Å; L66-V114 HydrophobicContact CD1-CG2 4.15Å |
| 67 | V | 77.8 | Confident | 69.4 | Low | 72 Ų | 72 | 76.1 Ų | 76.1 | 44% | 0.436 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.1 | 171.5 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | E113 V115 L124 | V67-E113 HydrophobicContact CB-CB 4.13Å; V67-E113 HydrophobicContact CG2-CB 4.46Å; V67-E113 PolarHBondContact N-O 2.98Å; V67-V115 HydrophobicContact CG2-CB 4.35Å; V67-V115 HydrophobicContact CG2-CG2 3.61Å; V67-L124 HydrophobicContact CG2-CD1 4.29Å |
| 68 | S | 69.3 | Low | 70.6 | Confident | 68 Ų | 68 | 73.5 Ų | 73.5 | 48% | 0.476 | 43% | 0.43 | S | S | . | . | trans | -133 | 148 | 176 | 62.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 69 | K | 68.8 | Low | 72.1 | Confident | 163 Ų | 163 | 73.3 Ų | 73.3 | 71% | 0.709 | 42% | 0.42 | S | S | * | . | trans | -72.6 | 152 | 174.3 | -56.5 | 165.4 | -175.4 | 160.9 | 0 | 109.1 | G71 D72 | K69-G71 PolarHBondContact O-N 3.37Å; K69-D72 WeakPolarHBondContact CB-OD2 3.45Å; K69-D72 PolarHBondContact O-N 3.02Å | ||
| 70 | A | 50.2 | Low | 73 | Confident | 116 Ų | 116 | 72.2 Ų | 72.2 | 96% | 0.959 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 99.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 71 | G | 60.1 | Low | 73.7 | Confident | 74 Ų | 74 | 75.8 Ų | 75.8 | 76% | 0.763 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130.9 | -17.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K69 | K69-G71 PolarHBondContact O-N 3.37Š|
| 72 | D | 68 | Low | 74.3 | Confident | 95 Ų | 95 | 71.3 Ų | 71.3 | 51% | 0.508 | 41% | 0.414 | S | S | . | . | trans | -74.9 | 130.8 | 175 | -67.4 | -30.1 | 0 | 0 | 0 | 110.4 | K69 P74 | K69-D72 WeakPolarHBondContact CB-OD2 3.45Å; K69-D72 PolarHBondContact O-N 3.02Å; D72-P74 VanDerWaalsContact O-CD 3.29Å; D72-P74 WeakPolarHBondContact O-CD 3.5Å | ||
| 73 | N | 71 | Confident | 74.4 | Confident | 128 Ų | 128 | 70.8 Ų | 70.8 | 68% | 0.684 | 41% | 0.411 | S | S | * | . | trans | -89.7 | 101.5 | 167 | -73.9 | -15.3 | 0 | 0 | 0 | 108.5 | N90 | N73-N90 WeakPolarHBondContact CB-ND2 3.28Å; N73-N90 PolarHBondContact O-ND2 3.05Å | ||
| 74 | P | 74.4 | Confident | 74.7 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 33% | 0.325 | 40% | 0.401 | S | S | . | . | trans | -71.8 | 141.7 | -170.6 | 31.6 | -37.1 | 0 | 0 | 0 | 111.6 | L66 D72 V76 T88 | L66-P74 HydrophobicContact CD2-CB 3.94Å; L66-P74 HydrophobicContact CD2-CG 4.12Å; D72-P74 VanDerWaalsContact O-CD 3.29Å; D72-P74 WeakPolarHBondContact O-CD 3.5Å; P74-V76 WeakPolarHBondContact CB-O 3.47Å; P74-V76 PolarHBondContact O-N 2.71Å; P74-T88 WeakPolarHBondContact O-CB 3.3Å; P74-T88 WeakPolarHBondContact O-CG2 3.26Å; P74-T88 PolarHBondContact O-OG1 3.43Å | ||
| 75 | L | 79.9 | Confident | 75 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -65.2 | -19.4 | 175.6 | -60.5 | 175 | 0 | 0 | 0 | 112.8 | T88 N90 I92 F110 | L75-T88 PolarHBondContact O-N 2.95Å; L75-T88 PolarHBondContact O-OG1 3.2Å; L75-N90 HydrophobicContact CD2-CB 3.91Å; L75-I92 HydrophobicContact CB-CD1 4.26Å; L75-I92 HydrophobicContact CB-CG1 4.08Å; L75-I92 HydrophobicContact CD1-CG1 4.29Å; L75-I92 HydrophobicContact CD2-CG1 4.35Å; L75-I92 HydrophobicContact CG-CG1 4.47Å; L75-F110 HydrophobicContact CB-CE2 4.19Å; L75-F110 HydrophobicContact CB-CZ 4.14Å; L75-F110 HydrophobicContact CD1-CD1 4.24Å; L75-F110 HydrophobicContact CD1-CD2 4.25Å; L75-F110 HydrophobicContact CD1-CE1 4.04Å; L75-F110 HydrophobicContact CD1-CE2 4.05Å; L75-F110 HydrophobicContact CD1-CG 4.35Å; L75-F110 HydrophobicContact CD1-CZ 3.93Å |
| 76 | V | 83.3 | Confident | 75.2 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.4 | -178 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | I40 L66 P74 I85 F86 F110 I112 I129 | I40-V76 HydrophobicContact CD1-CB 4.33Å; I40-V76 HydrophobicContact CD1-CG1 3.4Å; I40-V76 VanDerWaalsContact CD1-CG1 3.4Å; L66-V76 WeakPolarHBondContact CD2-O 3.36Å; P74-V76 WeakPolarHBondContact CB-O 3.47Å; P74-V76 PolarHBondContact O-N 2.71Å; V76-I85 HydrophobicContact CB-CG2 3.98Å; V76-I85 HydrophobicContact CG2-CG2 4.19Å; V76-F86 CarbonylContact C-O 3.58Å; V76-F86 WeakPolarHBondContact CA-O 3.47Å; V76-F86 WeakPolarHBondContact CB-O 3.42Å; V76-F110 HydrophobicContact CG1-CE2 4.48Å; V76-F110 HydrophobicContact CG1-CZ 4.35Å; V76-I112 HydrophobicContact CG2-CD1 3.67Å; V76-I112 HydrophobicContact CG2-CG2 3.83Å; V76-I129 HydrophobicContact CG1-CD1 4.04Å; V76-I129 HydrophobicContact CG2-CD1 4.27Å |
| 77 | R | 82.9 | Confident | 75.2 | Confident | 101 Ų | 101 | 61.5 Ų | 61.5 | 38% | 0.381 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.1 | 179.3 | 65.1 | -170.3 | -166 | 90.8 | -1.7 | 110.4 | N37 I85 F86 T88 | N37-R77 VanDerWaalsContact OD1-CZ 3.22Å; N37-R77 PolarHBondContact OD1-NE 3.42Å; N37-R77 PolarHBondContact OD1-NH2 3.08Å; R77-I85 WeakPolarHBondContact O-CA 3.48Å; R77-F86 HydrophobicContact CG-CB 3.96Å; R77-F86 PolarHBondContact N-O 2.86Å; R77-F86 PolarHBondContact O-N 2.97Å; R77-T88 HydrophobicContact CB-CG2 3.89Å; R77-T88 HydrophobicContact CG-CG2 4.16Å |
| 78 | V | 82.5 | Confident | 75.4 | Confident | 23 Ų | 23 | 59 Ų | 59 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.4 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | I43 L66 S80 E84 I85 V114 | I43-V78 HydrophobicContact CD1-CG1 4.06Å; L66-V78 HydrophobicContact CB-CB 4.34Å; L66-V78 HydrophobicContact CB-CG2 4.09Å; L66-V78 HydrophobicContact CD1-CG2 4.13Å; V78-S80 PolarHBondContact O-N 3.21Å; V78-E84 CarbonylContact C-O 3.54Å; V78-E84 VanDerWaalsContact CA-O 3.32Å; V78-E84 WeakPolarHBondContact CA-O 3.21Å; V78-I85 HydrophobicContact CG2-CG1 4.28Å; V78-V114 HydrophobicContact CG1-CG1 4.33Å; V78-V114 HydrophobicContact CG2-CG2 4.04Å |
| 79 | L | 83.1 | Confident | 75.8 | Confident | 57 Ų | 57 | 60 Ų | 60 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | trans | -72.2 | 121.9 | 176.1 | -80.3 | 174.9 | 0 | 0 | 0 | 110.9 | S81 T82 G83 E84 F86 | L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 2.91Å; L79-T82 VanDerWaalsContact CB-OG1 3.28Å; L79-T82 WeakPolarHBondContact CB-OG1 3.39Å; L79-T82 PolarHBondContact O-N 2.82Å; L79-G83 WeakPolarHBondContact O-CA 3.29Å; L79-G83 PolarHBondContact O-N 2.84Å; L79-E84 HydrophobicContact CD1-CB 4.36Å; L79-E84 PolarHBondContact N-O 3.45Å; L79-F86 HydrophobicContact CD1-CD2 4.16Å; L79-F86 HydrophobicContact CD1-CE2 3.66Å; L79-F86 HydrophobicContact CG-CD2 4.41Å; L79-F86 HydrophobicContact CG-CE2 4.39Å | ||
| 80 | S | 74.3 | Confident | 76.3 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 48% | 0.476 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -20.9 | -170.4 | 54.6 | 0 | 0 | 0 | 0 | 115.1 | V63 Y64 V78 | V63-S80 WeakPolarHBondContact CA-O 3.44Å; Y64-S80 PolarHBondContact N-O 2.89Å; Y64-S80 WeakPolarHBondContact O-CA 3.22Å; Y64-S80 VanDerWaalsContact O-CB 3.24Å; Y64-S80 WeakPolarHBondContact O-CB 3.23Å; V78-S80 PolarHBondContact O-N 3.21Å |
| 81 | S | 72.5 | Confident | 77.7 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 67% | 0.671 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -15.7 | 178.3 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | L79 | L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 2.91Å |
| 82 | T | 75.8 | Confident | 78.8 | Confident | 50 Ų | 50 | 54.1 Ų | 54.1 | 31% | 0.307 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -14.7 | -175.5 | 60 | 0 | 0 | 0 | 0 | 114.3 | P44 L79 E84 | P44-T82 WeakPolarHBondContact CD-O 3.36Å; P44-T82 WeakPolarHBondContact CG-O 3.46Å; L79-T82 VanDerWaalsContact CB-OG1 3.28Å; L79-T82 WeakPolarHBondContact CB-OG1 3.39Å; L79-T82 PolarHBondContact O-N 2.82Å; T82-E84 WeakPolarHBondContact CB-OE2 3.17Å; T82-E84 PolarHBondContact O-N 2.83Å; T82-E84 PolarHBondContact OG1-OE2 3.38Å |
| 83 | G | 74.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | 68.6 | 19.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I43 Y64 L79 | I43-G83 VanDerWaalsContact CB-O 3.31Å; I43-G83 WeakPolarHBondContact CB-O 3.32Å; I43-G83 WeakPolarHBondContact CD1-O 3.08Å; I43-G83 VanDerWaalsContact CG1-O 3.24Å; I43-G83 WeakPolarHBondContact CG1-O 2.92Å; I43-G83 PolarHBondContact N-O 2.97Å; Y64-G83 VanDerWaalsContact CG-CA 3.49Å; L79-G83 WeakPolarHBondContact O-CA 3.29Å; L79-G83 PolarHBondContact O-N 2.84Å | ||
| 84 | E | 81.8 | Confident | 80.1 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 136.4 | -179.5 | -70.2 | 166.1 | 139 | 0 | 0 | 111.9 | L39 G41 N42 V78 L79 T82 F86 | L39-E84 HydrophobicContact CD1-CB 3.9Å; L39-E84 HydrophobicContact CD1-CG 4.25Å; G41-E84 WeakPolarHBondContact O-CA 3.42Å; N42-E84 HydrophobicContact CB-CG 4.02Å; N42-E84 WeakPolarHBondContact ND2-CG 3.4Å; N42-E84 PolarHBondContact ND2-OE1 2.89Å; N42-E84 VanDerWaalsContact ND2-OE1 3.1Å; V78-E84 CarbonylContact C-O 3.54Å; V78-E84 VanDerWaalsContact CA-O 3.32Å; V78-E84 WeakPolarHBondContact CA-O 3.21Å; L79-E84 HydrophobicContact CD1-CB 4.36Å; L79-E84 PolarHBondContact N-O 3.45Å; T82-E84 WeakPolarHBondContact CB-OE2 3.17Å; T82-E84 PolarHBondContact O-N 2.83Å; T82-E84 PolarHBondContact OG1-OE2 3.38Å; E84-F86 HydrophobicContact CB-CD2 4.24Å; E84-F86 HydrophobicContact CB-CE2 3.73Å |
| 85 | I | 84.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.8 | -176.5 | -47.2 | 171.6 | 0 | 0 | 0 | 108.9 | Y28 I40 G41 I43 V76 R77 V78 I112 I127 | Y28-I85 HydrophobicContact CD2-CD1 4.06Å; Y28-I85 HydrophobicContact CE2-CD1 3.54Å; I40-I85 HydrophobicContact CB-CB 4.22Å; I40-I85 HydrophobicContact CB-CG2 4.16Å; I40-I85 HydrophobicContact CD1-CG2 4.27Å; I40-I85 PolarHBondContact N-O 2.97Å; G41-I85 PolarHBondContact O-N 3.28Å; I43-I85 HydrophobicContact CD1-CD1 4.07Å; I43-I85 HydrophobicContact CD1-CG1 3.95Å; I43-I85 HydrophobicContact CG1-CD1 3.95Å; I43-I85 HydrophobicContact CG1-CG1 4.06Å; V76-I85 HydrophobicContact CB-CG2 3.98Å; V76-I85 HydrophobicContact CG2-CG2 4.19Å; R77-I85 WeakPolarHBondContact O-CA 3.48Å; V78-I85 HydrophobicContact CG2-CG1 4.28Å; I85-I112 HydrophobicContact CD1-CD1 4.44Å; I85-I112 HydrophobicContact CG2-CD1 4.3Å; I85-I127 HydrophobicContact CD1-CD1 3.72Å; I85-I127 HydrophobicContact CD1-CG2 4.37Å |
| 86 | F | 83 | Confident | 80.3 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 150.2 | 179.6 | -76.9 | -92.7 | 0 | 0 | 0 | 111.5 | N37 V38 L39 V76 R77 L79 E84 | N37-F86 WeakPolarHBondContact O-CD1 3.48Å; V38-F86 CarbonylContact O-C 3.59Å; V38-F86 VanDerWaalsContact O-CA 3.25Å; V38-F86 WeakPolarHBondContact O-CA 3.46Å; L39-F86 HydrophobicContact CB-CD1 4.18Å; L39-F86 HydrophobicContact CB-CE1 3.72Å; L39-F86 HydrophobicContact CB-CZ 4.04Å; L39-F86 HydrophobicContact CD1-CD2 4.2Å; L39-F86 HydrophobicContact CD1-CE1 4.16Å; L39-F86 HydrophobicContact CD1-CE2 3.67Å; L39-F86 HydrophobicContact CD1-CZ 3.65Å; L39-F86 HydrophobicContact CG-CZ 4.39Å; V76-F86 CarbonylContact C-O 3.58Å; V76-F86 WeakPolarHBondContact CA-O 3.47Å; V76-F86 WeakPolarHBondContact CB-O 3.42Å; R77-F86 HydrophobicContact CG-CB 3.96Å; R77-F86 PolarHBondContact N-O 2.86Å; R77-F86 PolarHBondContact O-N 2.97Å; L79-F86 HydrophobicContact CD1-CD2 4.16Å; L79-F86 HydrophobicContact CD1-CE2 3.66Å; L79-F86 HydrophobicContact CG-CD2 4.41Å; L79-F86 HydrophobicContact CG-CE2 4.39Å; E84-F86 HydrophobicContact CB-CD2 4.24Å; E84-F86 HydrophobicContact CB-CE2 3.73Å |
| 87 | T | 82 | Confident | 79.9 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 151.3 | 168.7 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | L34 Q35 N37 V38 I40 | L34-T87 HydrophobicContact CB-CG2 4.11Å; L34-T87 HydrophobicContact CD1-CG2 4.31Å; Q35-T87 PolarHBondContact O-OG1 3.05Å; N37-T87 PolarHBondContact N-O 2.95Å; N37-T87 VanDerWaalsContact N-O 3.16Å; N37-T87 PolarHBondContact N-OG1 2.82Å; V38-T87 HydrophobicContact CB-CG2 4.31Å; V38-T87 PolarHBondContact N-OG1 3.48Å; V38-T87 PolarHBondContact O-N 3.36Å; I40-T87 HydrophobicContact CD1-CG2 3.9Å; I40-T87 HydrophobicContact CG1-CG2 4.34Å |
| 88 | T | 81.4 | Confident | 79.6 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 13% | 0.129 | 28% | 0.276 | C | S | . | . | trans | -101.1 | -175.1 | 171.2 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | P74 L75 R77 N90 | P74-T88 WeakPolarHBondContact O-CB 3.3Å; P74-T88 WeakPolarHBondContact O-CG2 3.26Å; P74-T88 PolarHBondContact O-OG1 3.43Å; L75-T88 PolarHBondContact O-N 2.95Å; L75-T88 PolarHBondContact O-OG1 3.2Å; R77-T88 HydrophobicContact CB-CG2 3.89Å; R77-T88 HydrophobicContact CG-CG2 4.16Å; T88-N90 PolarHBondContact O-N 2.82Å | ||
| 89 | S | 77.1 | Confident | 78.7 | Confident | 88 Ų | 88 | 55.7 Ų | 55.7 | 62% | 0.615 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -71.9 | -12.4 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | E36 R91 | E36-S89 WeakPolarHBondContact OE2-CB 3.31Å; S89-R91 PolarHBondContact O-N 3.12Å |
| 90 | N | 79.6 | Confident | 77.7 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -78.6 | 116 | 168.6 | -73.3 | -10 | 0 | 0 | 0 | 108.6 | N73 L75 T88 | N73-N90 WeakPolarHBondContact CB-ND2 3.28Å; N73-N90 PolarHBondContact O-ND2 3.05Å; L75-N90 HydrophobicContact CD2-CB 3.91Å; T88-N90 PolarHBondContact O-N 2.82Å |
| 91 | R | 80.1 | Confident | 76.7 | Confident | 164 Ų | 164 | 56.8 Ų | 56.8 | 62% | 0.619 | 32% | 0.319 | S | S | * | . | trans | -64.4 | 151.2 | 172 | -63.2 | -161.3 | -176.8 | -174.1 | -2.5 | 111.2 | E33 S89 | E33-R91 VanDerWaalsContact OE1-CB 3.28Å; E33-R91 WeakPolarHBondContact OE1-CB 3.43Å; E33-R91 WeakPolarHBondContact OE1-CD 3.12Å; E33-R91 WeakPolarHBondContact OE2-CD 3.24Å; E33-R91 IonicContact OE2-CZ 2.84Å; E33-R91 IonicContact OE2-NE 3.9Å; E33-R91 IonicContact OE2-NH1 2.72Å; E33-R91 PolarHBondContact OE2-NH1 3.4Å; S89-R91 PolarHBondContact O-N 3.12Å | ||
| 92 | I | 82.9 | Confident | 75.6 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | trans | -102.6 | 102.1 | 174.4 | -59.4 | 173.2 | 0 | 0 | 0 | 104.4 | I30 E32 E33 L75 L97 F110 V131 | I30-I92 HydrophobicContact CD1-CD1 3.53Å; I30-I92 HydrophobicContact CD1-CG2 4.21Å; E32-I92 CarbonylContact C-O 3.59Å; E32-I92 VanDerWaalsContact CA-O 3.3Å; E32-I92 WeakPolarHBondContact CA-O 3.48Å; E32-I92 VanDerWaalsContact CB-O 3.23Å; E32-I92 WeakPolarHBondContact CB-O 3.49Å; E33-I92 PolarHBondContact N-O 2.84Å; L75-I92 HydrophobicContact CB-CD1 4.26Å; L75-I92 HydrophobicContact CB-CG1 4.08Å; L75-I92 HydrophobicContact CD1-CG1 4.29Å; L75-I92 HydrophobicContact CD2-CG1 4.35Å; L75-I92 HydrophobicContact CG-CG1 4.47Å; I92-L97 HydrophobicContact CG2-CD1 3.77Å; I92-F110 HydrophobicContact CD1-CE1 4.12Å; I92-F110 HydrophobicContact CD1-CZ 3.89Å; I92-F110 HydrophobicContact CG2-CE1 4.06Å; I92-V131 HydrophobicContact CG2-CG1 3.99Å; I92-V131 HydrophobicContact CG2-CG2 3.68Å | ||
| 93 | D | 82.4 | Confident | 74.6 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | trans | -113.8 | 126.9 | 179.6 | 104.5 | 53.1 | 0 | 0 | 0 | 108.7 | K96 L97 | D93-K96 VanDerWaalsContact CG-CB 3.45Å; D93-K96 WeakPolarHBondContact OD1-CB 3.38Å; D93-K96 PolarHBondContact OD1-N 3.18Å; D93-K96 WeakPolarHBondContact OD2-CB 3.47Å; D93-K96 WeakPolarHBondContact OD2-CD 3.37Å; D93-L97 WeakPolarHBondContact O-CB 3.37Å; D93-L97 WeakPolarHBondContact O-CD1 3.5Å; D93-L97 WeakPolarHBondContact O-CG 3.42Å; D93-L97 PolarHBondContact O-N 3.26Å | ||
| 94 | R | 83.3 | Confident | 73.5 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 5% | 0.053 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -79.1 | -37.9 | -167.5 | -176.4 | -148 | 63.6 | 92.5 | -6.4 | 110.9 | E32 K96 L97 C98 C108 V131 D133 P168 T170 | E32-R94 HydrophobicContact CB-CB 4.46Å; E32-R94 WeakPolarHBondContact OE2-CA 3.46Å; E32-R94 WeakPolarHBondContact OE2-CB 3.3Å; E32-R94 PolarHBondContact OE2-N 2.78Å; R94-K96 PolarHBondContact O-N 3.35Å; R94-L97 PolarHBondContact O-N 3.45Å; R94-C98 WeakPolarHBondContact O-CA 3.28Å; R94-C98 PolarHBondContact O-N 2.7Å; R94-C108 HydrophobicContact CG-CB 4.2Å; R94-V131 HydrophobicContact CB-CG1 4.11Å; R94-V131 HydrophobicContact CG-CG1 4.47Å; R94-D133 IonicContact CZ-OD1 3.37Å; R94-D133 VanDerWaalsContact CZ-OD1 3.27Å; R94-D133 IonicContact NE-OD1 3.77Å; R94-D133 PolarHBondContact NE-OD1 2.85Å; R94-D133 VanDerWaalsContact NE-OD1 3.12Å; R94-D133 IonicContact NH2-OD1 3.12Å; R94-D133 PolarHBondContact NH2-OD1 2.78Å; R94-P168 PolarHBondContact NH2-O 3.2Å; R94-P168 VanDerWaalsContact NH2-O 3.1Å; R94-T170 VanDerWaalsContact NH1-CG2 3.32Å; R94-T170 PolarHBondContact NH1-OG1 2.77Å |
| 95 | E | 81.3 | Confident | 71.8 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 16% | 0.164 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.4 | -30.2 | -178.2 | -66.9 | 60.2 | -126.7 | 0 | 0 | 111 | P99 P168 | E95-P99 WeakPolarHBondContact O-CA 3.28Å; E95-P99 WeakPolarHBondContact O-CB 3.39Å; E95-P168 HydrophobicContact CG-CB 4.26Å |
| 96 | K | 78.8 | Confident | 70.5 | Confident | 159 Ų | 159 | 81.8 Ų | 81.8 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -92.4 | -29.9 | 176 | -171.3 | -177.8 | -177.6 | 178 | 0 | 114.3 | D93 R94 | D93-K96 VanDerWaalsContact CG-CB 3.45Å; D93-K96 WeakPolarHBondContact OD1-CB 3.38Å; D93-K96 PolarHBondContact OD1-N 3.18Å; D93-K96 WeakPolarHBondContact OD2-CB 3.47Å; D93-K96 WeakPolarHBondContact OD2-CD 3.37Å; R94-K96 PolarHBondContact O-N 3.35Å |
| 97 | L | 74.1 | Confident | 69.8 | Low | 83 Ų | 83 | 85.7 Ų | 85.7 | 44% | 0.435 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75.4 | -35.6 | 174.6 | -75.8 | 170.5 | 0 | 0 | 0 | 112.1 | I92 D93 R94 P99 | I92-L97 HydrophobicContact CG2-CD1 3.77Å; D93-L97 WeakPolarHBondContact O-CB 3.37Å; D93-L97 WeakPolarHBondContact O-CD1 3.5Å; D93-L97 WeakPolarHBondContact O-CG 3.42Å; D93-L97 PolarHBondContact O-N 3.26Å; R94-L97 PolarHBondContact O-N 3.45Å; L97-P99 VanDerWaalsContact C-CD 3.49Å |
| 98 | C | 77.1 | Confident | 69.7 | Low | 32 Ų | 32 | 86.8 Ų | 86.8 | 22% | 0.216 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -131.3 | 66.7 | -176.9 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | R94 G100 C108 | R94-C98 WeakPolarHBondContact O-CA 3.28Å; R94-C98 PolarHBondContact O-N 2.7Å; C98-G100 PolarHBondContact O-N 2.97Å; C98-C108 HydrophobicContact CB-CB 3.93Å; C98-C108 WeakPolarHBondContact CB-SG 3.42Å; C98-C108 WeakPolarHBondContact SG-CB 3.3Å; C98-C108 CovalentContact SG-SG 2.04Å; C98-C108 PolarHBondContact SG-SG 2.97Å |
| 99 | P | 63.1 | Low | 69.5 | Low | 106 Ų | 106 | 87.7 Ų | 87.7 | 69% | 0.688 | 48% | 0.479 | S | S | * | . | trans | -72.1 | 96.8 | -174.4 | 29.1 | -35.5 | 0 | 0 | 0 | 112.6 | E95 L97 | E95-P99 WeakPolarHBondContact O-CA 3.28Å; E95-P99 WeakPolarHBondContact O-CB 3.39Å; L97-P99 VanDerWaalsContact C-CD 3.49Å | ||
| 100 | G | 61.4 | Low | 69.8 | Low | 40 Ų | 40 | 85.2 Ų | 85.2 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 102.4 | 167.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | C98 S102 | C98-G100 PolarHBondContact O-N 2.97Å; G100-S102 VanDerWaalsContact C-N 3.34Å; G100-S102 PolarHBondContact O-N 3.17Å |
| 101 | P | 54.8 | Low | 69.8 | Low | 109 Ų | 109 | 87.4 Ų | 87.4 | 71% | 0.708 | 47% | 0.465 | S | S | * | . | trans | -77.6 | 79.6 | -176.4 | 32.3 | -35.6 | 0 | 0 | 0 | 111.4 | F103 | P101-F103 VanDerWaalsContact C-N 3.32Å; P101-F103 PolarHBondContact O-N 2.94Å | ||
| 102 | S | 47.6 | Very low | 69.9 | Low | 100 Ų | 100 | 80.5 Ų | 80.5 | 70% | 0.699 | 44% | 0.44 | S | S | * | . | trans | -70.5 | 85.8 | 173.1 | 58.7 | 0 | 0 | 0 | 0 | 111 | G100 E104 | G100-S102 VanDerWaalsContact C-N 3.34Å; G100-S102 PolarHBondContact O-N 3.17Å; S102-E104 PolarHBondContact O-N 2.86Å | ||
| 103 | F | 54.8 | Low | 69.8 | Low | 184 Ų | 184 | 83.3 Ų | 83.3 | 81% | 0.807 | 45% | 0.453 | S | S | * | . | trans | -74.3 | 63.6 | 179.7 | -114.6 | -87.7 | 0 | 0 | 0 | 112.6 | P101 | P101-F103 VanDerWaalsContact C-N 3.32Å; P101-F103 PolarHBondContact O-N 2.94Å | ||
| 104 | E | 51.8 | Low | 69.7 | Low | 184 Ų | 184 | 81.3 Ų | 81.3 | 86% | 0.86 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -171.3 | 137.1 | 153.9 | -106 | 159.3 | -159.5 | 0 | 0 | 109.5 | S102 | S102-E104 PolarHBondContact O-N 2.86Š|
| 105 | D | 46.3 | Very low | 69.5 | Low | 156 Ų | 156 | 81.5 Ų | 81.5 | 83% | 0.834 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 57.4 | 82.8 | 179.3 | -76.6 | -12.3 | 0 | 0 | 0 | 120.8 | ||
| 106 | S | 58.3 | Low | 69.4 | Low | 94 Ų | 94 | 80 Ų | 80 | 66% | 0.657 | 44% | 0.439 | S | S | * | . | trans | 80.4 | 153.3 | 143.3 | 80.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 107 | E | 68.6 | Low | 69 | Low | 119 Ų | 119 | 75 Ų | 75 | 56% | 0.556 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -47.7 | 134.6 | -176.5 | -56 | 170.6 | 113.1 | 0 | 0 | 112.8 | S109 I130 | E107-S109 VanDerWaalsContact O-CB 3.22Å; E107-S109 WeakPolarHBondContact O-CB 3.32Å; E107-S109 PolarHBondContact O-N 2.87Å; E107-S109 PolarHBondContact O-OG 2.79Å; E107-I130 HydrophobicContact CB-CG2 3.74Å; E107-I130 WeakPolarHBondContact OE2-CD1 3.5Å |
| 108 | C | 78.9 | Confident | 68.6 | Low | 27 Ų | 27 | 74.1 Ų | 74.1 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -50.2 | 115.2 | -179.9 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | R94 C98 V131 | R94-C108 HydrophobicContact CG-CB 4.2Å; C98-C108 HydrophobicContact CB-CB 3.93Å; C98-C108 WeakPolarHBondContact CB-SG 3.42Å; C98-C108 WeakPolarHBondContact SG-CB 3.3Å; C98-C108 CovalentContact SG-SG 2.04Å; C98-C108 PolarHBondContact SG-SG 2.97Å; C108-V131 PolarHBondContact O-N 3.12Å |
| 109 | S | 77.8 | Confident | 67.7 | Low | 40 Ų | 40 | 79 Ų | 79 | 28% | 0.28 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 156.2 | -166.3 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | E107 K128 I129 | E107-S109 VanDerWaalsContact O-CB 3.22Å; E107-S109 WeakPolarHBondContact O-CB 3.32Å; E107-S109 PolarHBondContact O-N 2.87Å; E107-S109 PolarHBondContact O-OG 2.79Å; S109-K128 WeakPolarHBondContact OG-CE 3.25Å; S109-K128 PolarHBondContact OG-NZ 2.8Å; S109-I129 CarbonylContact C-O 3.42Å; S109-I129 WeakPolarHBondContact CA-O 3.44Å; S109-I129 WeakPolarHBondContact CB-O 3.03Å |
| 110 | F | 82 | Confident | 67.5 | Low | 36 Ų | 36 | 81.2 Ų | 81.2 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.8 | 176.3 | 66.8 | -88.9 | 0 | 0 | 0 | 111.1 | I30 L75 V76 I92 I112 I129 V131 | I30-F110 HydrophobicContact CD1-CE1 4.39Å; L75-F110 HydrophobicContact CB-CE2 4.19Å; L75-F110 HydrophobicContact CB-CZ 4.14Å; L75-F110 HydrophobicContact CD1-CD1 4.24Å; L75-F110 HydrophobicContact CD1-CD2 4.25Å; L75-F110 HydrophobicContact CD1-CE1 4.04Å; L75-F110 HydrophobicContact CD1-CE2 4.05Å; L75-F110 HydrophobicContact CD1-CG 4.35Å; L75-F110 HydrophobicContact CD1-CZ 3.93Å; V76-F110 HydrophobicContact CG1-CE2 4.48Å; V76-F110 HydrophobicContact CG1-CZ 4.35Å; I92-F110 HydrophobicContact CD1-CE1 4.12Å; I92-F110 HydrophobicContact CD1-CZ 3.89Å; I92-F110 HydrophobicContact CG2-CE1 4.06Å; F110-I112 HydrophobicContact CD2-CG2 4.25Å; F110-I112 HydrophobicContact CE2-CG2 4.19Å; F110-I129 HydrophobicContact CD1-CB 4.35Å; F110-I129 HydrophobicContact CD1-CG2 4.39Å; F110-I129 HydrophobicContact CD2-CB 4.4Å; F110-I129 HydrophobicContact CE1-CB 4Å; F110-I129 HydrophobicContact CE1-CG2 3.67Å; F110-I129 HydrophobicContact CE2-CB 4.06Å; F110-I129 HydrophobicContact CE2-CD1 3.84Å; F110-I129 HydrophobicContact CE2-CG1 4.39Å; F110-I129 HydrophobicContact CE2-CG2 4.37Å; F110-I129 HydrophobicContact CZ-CB 3.85Å; F110-I129 HydrophobicContact CZ-CD1 3.94Å; F110-I129 HydrophobicContact CZ-CG1 4.45Å; F110-I129 HydrophobicContact CZ-CG2 3.66Å; F110-I129 PolarHBondContact N-O 2.9Å; F110-I129 PolarHBondContact O-N 2.95Å; F110-V131 HydrophobicContact CD1-CG2 3.98Å; F110-V131 HydrophobicContact CE1-CG2 3.87Å |
| 111 | E | 80.4 | Confident | 67.5 | Low | 106 Ų | 106 | 83.6 Ų | 83.6 | 50% | 0.495 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 148 | -176.7 | -71.4 | 178.2 | -159.4 | 0 | 0 | 112.3 | K126 I127 K128 | E111-K126 IonicContact OE2-NZ 2.69Å; E111-I127 WeakPolarHBondContact CA-O 3.28Å; E111-K128 HydrophobicContact CG-CB 4.18Å; E111-K128 HydrophobicContact CG-CG 4.15Å |
| 112 | I | 81.9 | Confident | 68.1 | Low | 20 Ų | 20 | 84.4 Ų | 84.4 | 10% | 0.103 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 155.4 | 171.6 | 69.7 | 176.6 | 0 | 0 | 0 | 110.5 | L66 V76 I85 F110 I127 I129 | L66-I112 HydrophobicContact CD1-CB 4.06Å; L66-I112 HydrophobicContact CD1-CD1 4.31Å; V76-I112 HydrophobicContact CG2-CD1 3.67Å; V76-I112 HydrophobicContact CG2-CG2 3.83Å; I85-I112 HydrophobicContact CD1-CD1 4.44Å; I85-I112 HydrophobicContact CG2-CD1 4.3Å; F110-I112 HydrophobicContact CD2-CG2 4.25Å; F110-I112 HydrophobicContact CE2-CG2 4.19Å; I112-I127 HydrophobicContact CD1-CB 4.27Å; I112-I127 HydrophobicContact CD1-CD1 4.42Å; I112-I127 HydrophobicContact CD1-CG2 4.48Å; I112-I127 HydrophobicContact CG1-CB 3.7Å; I112-I127 HydrophobicContact CG1-CD1 4.49Å; I112-I127 HydrophobicContact CG1-CG1 4.36Å; I112-I127 HydrophobicContact CG1-CG2 4.33Å; I112-I127 PolarHBondContact N-O 2.75Å; I112-I127 PolarHBondContact O-N 2.8Å; I112-I129 HydrophobicContact CD1-CD1 4.14Å |
| 113 | E | 82.1 | Confident | 69.3 | Low | 63 Ų | 63 | 84.1 Ų | 84.1 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.6 | 179.7 | -60.9 | -167.2 | 155.8 | 0 | 0 | 111.3 | V67 L124 I125 K126 | V67-E113 HydrophobicContact CB-CB 4.13Å; V67-E113 HydrophobicContact CG2-CB 4.46Å; V67-E113 PolarHBondContact N-O 2.98Å; E113-L124 HydrophobicContact CB-CD1 4.23Å; E113-I125 CarbonylContact C-O 3.56Å; E113-I125 WeakPolarHBondContact CA-O 3.23Å; E113-K126 HydrophobicContact CG-CG 4.21Å; E113-K126 WeakPolarHBondContact OE1-CE 3.35Å; E113-K126 IonicContact OE1-NZ 2.71Å; E113-K126 PolarHBondContact OE1-NZ 2.97Å |
| 114 | V | 79.9 | Confident | 70.2 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 133.9 | -176.3 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | I43 R65 L66 V78 I125 I127 | I43-V114 HydrophobicContact CD1-CB 4.04Å; I43-V114 HydrophobicContact CD1-CG1 3.82Å; I43-V114 HydrophobicContact CD1-CG2 3.82Å; R65-V114 WeakPolarHBondContact O-CA 3.32Å; L66-V114 HydrophobicContact CD1-CG2 4.15Å; V78-V114 HydrophobicContact CG1-CG1 4.33Å; V78-V114 HydrophobicContact CG2-CG2 4.04Å; V114-I125 PolarHBondContact N-O 3.32Å; V114-I125 PolarHBondContact O-N 2.86Å; V114-I127 HydrophobicContact CG2-CD1 4.01Å |
| 115 | V | 79 | Confident | 71.4 | Confident | 19 Ų | 19 | 71 Ų | 71 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 143.2 | 178.5 | 165.3 | 0 | 0 | 0 | 0 | 111.2 | Y64 R65 V67 L117 F122 R123 L124 | Y64-V115 CarbonylContact C-O 3.59Å; Y64-V115 WeakPolarHBondContact CA-O 3.25Å; R65-V115 PolarHBondContact N-O 3.41Å; R65-V115 PolarHBondContact O-N 3.34Å; V67-V115 HydrophobicContact CG2-CB 4.35Å; V67-V115 HydrophobicContact CG2-CG2 3.61Å; V115-L117 HydrophobicContact CG1-CD2 4.46Å; V115-L117 HydrophobicContact CG1-CG 4.06Å; V115-F122 HydrophobicContact CG1-CD2 4.03Å; V115-F122 HydrophobicContact CG1-CE2 3.57Å; V115-F122 HydrophobicContact CG1-CZ 4.39Å; V115-F122 HydrophobicContact CG2-CE2 4.32Å; V115-F122 HydrophobicContact CG2-CZ 4.42Å; V115-R123 CarbonylContact C-O 3.44Å; V115-R123 WeakPolarHBondContact CA-O 3.4Å; V115-L124 HydrophobicContact CG2-CD1 3.54Å |
| 116 | I | 78.3 | Confident | 72.9 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.3 | 170.2 | -53.7 | -178.9 | 0 | 0 | 0 | 109.7 | I49 L62 V63 Y64 F122 R123 I125 | I49-I116 HydrophobicContact CD1-CD1 3.39Å; L62-I116 HydrophobicContact CB-CG2 4.2Å; L62-I116 HydrophobicContact CD1-CG2 4.35Å; L62-I116 HydrophobicContact CD2-CG2 4.3Å; V63-I116 WeakPolarHBondContact O-CA 3.45Å; Y64-I116 HydrophobicContact CD1-CD1 4.16Å; Y64-I116 HydrophobicContact CD1-CG1 3.82Å; Y64-I116 HydrophobicContact CE1-CD1 3.6Å; Y64-I116 HydrophobicContact CE1-CG1 3.73Å; Y64-I116 HydrophobicContact CE1-CG2 4.43Å; I116-F122 WeakPolarHBondContact O-CA 3.32Å; I116-R123 HydrophobicContact CB-CB 4.45Å; I116-R123 HydrophobicContact CD1-CB 4.49Å; I116-R123 PolarHBondContact N-O 2.92Å; I116-I125 HydrophobicContact CD1-CD1 3.62Å; I116-I125 HydrophobicContact CG1-CD1 4.09Å |
| 117 | L | 69.8 | Low | 73.9 | Confident | 52 Ų | 52 | 63.2 Ų | 63.2 | 27% | 0.272 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 162.3 | 179.3 | -72.8 | 170.7 | 0 | 0 | 0 | 110.1 | L62 V63 V115 F122 | L62-L117 CarbonylContact C-O 3.58Å; L62-L117 VanDerWaalsContact CA-O 3.31Å; L62-L117 WeakPolarHBondContact CA-O 3.27Å; V63-L117 PolarHBondContact N-O 3.35Å; V63-L117 PolarHBondContact O-N 3.14Å; V115-L117 HydrophobicContact CG1-CD2 4.46Å; V115-L117 HydrophobicContact CG1-CG 4.06Å; L117-F122 HydrophobicContact CD2-CD2 4Å |
| 118 | P | 66.2 | Low | 74.5 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | S | Bend | cis | -78.5 | 177.9 | 7.8 | 33.5 | -37.8 | 0 | 0 | 0 | 114.9 | D120 Y121 F122 | P118-D120 VanDerWaalsContact C-N 3.29Å; P118-D120 PolarHBondContact O-N 2.64Å; P118-D120 VanDerWaalsContact O-N 3.13Å; P118-Y121 CarbonylContact O-C 3.56Å; P118-Y121 WeakPolarHBondContact O-CA 3.14Å; P118-Y121 PolarHBondContact O-N 2.77Å; P118-F122 PolarHBondContact O-N 3.07Å |
| 119 | N | 57.8 | Low | 74.7 | Confident | 134 Ų | 134 | 58.5 Ų | 58.5 | 72% | 0.717 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -51.6 | -37.9 | -169.7 | -70.7 | 11.5 | 0 | 0 | 0 | 115.1 | Y121 F122 | N119-Y121 PolarHBondContact O-N 3.47Å; N119-F122 PolarHBondContact O-N 3.03Å; N119-F122 VanDerWaalsContact O-N 3.16Å |
| 120 | D | 60.2 | Low | 74.8 | Confident | 153 Ų | 153 | 57.4 Ų | 57.4 | 82% | 0.818 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -65 | -11.2 | 179.8 | -51.1 | -34.6 | 0 | 0 | 0 | 113.1 | P118 | P118-D120 VanDerWaalsContact C-N 3.29Å; P118-D120 PolarHBondContact O-N 2.64Å; P118-D120 VanDerWaalsContact O-N 3.13Å |
| 121 | Y | 60.4 | Low | 74.8 | Confident | 89 Ų | 89 | 56 Ų | 56 | 35% | 0.349 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -130.1 | 25.2 | 178.8 | -91.1 | -96.8 | 0 | 0 | 0 | 112.4 | L62 P118 N119 R123 | L62-Y121 HydrophobicContact CD2-CD1 4.28Å; L62-Y121 HydrophobicContact CD2-CG 4.04Å; P118-Y121 CarbonylContact O-C 3.56Å; P118-Y121 WeakPolarHBondContact O-CA 3.14Å; P118-Y121 PolarHBondContact O-N 2.77Å; N119-Y121 PolarHBondContact O-N 3.47Å; Y121-R123 PolarHBondContact O-N 3.46Å |
| 122 | F | 68.3 | Low | 74.8 | Confident | 126 Ų | 126 | 56 Ų | 56 | 55% | 0.553 | 27% | 0.271 | S | S | * | . | trans | -60.9 | 120.1 | -178.9 | -178.7 | -92.6 | 0 | 0 | 0 | 112.4 | V115 I116 L117 P118 N119 | V115-F122 HydrophobicContact CG1-CD2 4.03Å; V115-F122 HydrophobicContact CG1-CE2 3.57Å; V115-F122 HydrophobicContact CG1-CZ 4.39Å; V115-F122 HydrophobicContact CG2-CE2 4.32Å; V115-F122 HydrophobicContact CG2-CZ 4.42Å; I116-F122 WeakPolarHBondContact O-CA 3.32Å; L117-F122 HydrophobicContact CD2-CD2 4Å; P118-F122 PolarHBondContact O-N 3.07Å; N119-F122 PolarHBondContact O-N 3.03Å; N119-F122 VanDerWaalsContact O-N 3.16Å | ||
| 123 | R | 73 | Confident | 74.7 | Confident | 94 Ų | 94 | 56.8 Ų | 56.8 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 133.5 | 174.4 | -156.9 | 178.9 | -165.9 | -163.1 | 2.8 | 110.1 | V115 I116 Y121 | V115-R123 CarbonylContact C-O 3.44Å; V115-R123 WeakPolarHBondContact CA-O 3.4Å; I116-R123 HydrophobicContact CB-CB 4.45Å; I116-R123 HydrophobicContact CD1-CB 4.49Å; I116-R123 PolarHBondContact N-O 2.92Å; Y121-R123 PolarHBondContact O-N 3.46Å |
| 124 | L | 73.9 | Confident | 74.7 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138.2 | 168.8 | -178.7 | 68.3 | 0 | 0 | 0 | 108.9 | V67 E113 V115 | V67-L124 HydrophobicContact CG2-CD1 4.29Å; E113-L124 HydrophobicContact CB-CD1 4.23Å; V115-L124 HydrophobicContact CG2-CD1 3.54Å |
| 125 | I | 75.7 | Confident | 74.8 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.5 | -178.3 | -65 | 153.9 | 0 | 0 | 0 | 108.4 | L26 I43 L47 E113 V114 I116 I127 | L26-I125 HydrophobicContact CD1-CG2 4.2Å; I43-I125 HydrophobicContact CG2-CD1 3.72Å; L47-I125 HydrophobicContact CD1-CD1 3.43Å; L47-I125 VanDerWaalsContact CD1-CD1 3.43Å; L47-I125 HydrophobicContact CD1-CG1 3.8Å; L47-I125 HydrophobicContact CD1-CG2 3.94Å; E113-I125 CarbonylContact C-O 3.56Å; E113-I125 WeakPolarHBondContact CA-O 3.23Å; V114-I125 PolarHBondContact N-O 3.32Å; V114-I125 PolarHBondContact O-N 2.86Å; I116-I125 HydrophobicContact CD1-CD1 3.62Å; I116-I125 HydrophobicContact CG1-CD1 4.09Å; I125-I127 HydrophobicContact CG2-CD1 4.24Å; I125-I127 HydrophobicContact CG2-CG1 3.83Å |
| 126 | K | 77.4 | Confident | 75 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 142.2 | 167 | -76 | 179.5 | 164.8 | -68.2 | 0 | 109.9 | L26 E111 E113 | L26-K126 PolarHBondContact N-O 3.31Å; E111-K126 IonicContact OE2-NZ 2.69Å; E113-K126 HydrophobicContact CG-CG 4.21Å; E113-K126 WeakPolarHBondContact OE1-CE 3.35Å; E113-K126 IonicContact OE1-NZ 2.71Å; E113-K126 PolarHBondContact OE1-NZ 2.97Å |
| 127 | I | 79.7 | Confident | 75.2 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 120.2 | -179.1 | -48 | -174.1 | 0 | 0 | 0 | 108.6 | L26 Y28 I43 I85 E111 I112 V114 I125 | L26-I127 HydrophobicContact CB-CB 4.35Å; L26-I127 HydrophobicContact CB-CG1 4.11Å; L26-I127 HydrophobicContact CB-CG2 3.95Å; L26-I127 HydrophobicContact CD1-CD1 4.02Å; L26-I127 HydrophobicContact CD1-CG1 4.23Å; L26-I127 CarbonylContact O-C 3.56Å; L26-I127 VanDerWaalsContact O-CA 3.3Å; L26-I127 WeakPolarHBondContact O-CA 3.3Å; Y28-I127 HydrophobicContact CD2-CG2 3.45Å; Y28-I127 VanDerWaalsContact CD2-CG2 3.45Å; Y28-I127 HydrophobicContact CE2-CG2 3.6Å; I43-I127 HydrophobicContact CD1-CD1 3.63Å; I43-I127 HydrophobicContact CG1-CD1 3.81Å; I85-I127 HydrophobicContact CD1-CD1 3.72Å; I85-I127 HydrophobicContact CD1-CG2 4.37Å; E111-I127 WeakPolarHBondContact CA-O 3.28Å; I112-I127 HydrophobicContact CD1-CB 4.27Å; I112-I127 HydrophobicContact CD1-CD1 4.42Å; I112-I127 HydrophobicContact CD1-CG2 4.48Å; I112-I127 HydrophobicContact CG1-CB 3.7Å; I112-I127 HydrophobicContact CG1-CD1 4.49Å; I112-I127 HydrophobicContact CG1-CG1 4.36Å; I112-I127 HydrophobicContact CG1-CG2 4.33Å; I112-I127 PolarHBondContact N-O 2.75Å; I112-I127 PolarHBondContact O-N 2.8Å; V114-I127 HydrophobicContact CG2-CD1 4.01Å; I125-I127 HydrophobicContact CG2-CD1 4.24Å; I125-I127 HydrophobicContact CG2-CG1 3.83Å |
| 128 | K | 82.3 | Confident | 75.8 | Confident | 48 Ų | 48 | 62 Ų | 62 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129 | 176.4 | -172.6 | 165.3 | -179.8 | 168.2 | 0 | 110.3 | L26 I27 Y28 S109 E111 | L26-K128 PolarHBondContact O-N 3.11Å; I27-K128 CarbonylContact C-O 3.54Å; I27-K128 VanDerWaalsContact CA-O 3.28Å; I27-K128 WeakPolarHBondContact CA-O 3.32Å; I27-K128 HydrophobicContact CG1-CB 4.43Å; Y28-K128 PolarHBondContact N-O 3.29Å; S109-K128 WeakPolarHBondContact OG-CE 3.25Å; S109-K128 PolarHBondContact OG-NZ 2.8Å; E111-K128 HydrophobicContact CG-CB 4.18Å; E111-K128 HydrophobicContact CG-CG 4.15Å |
| 129 | I | 81.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121 | 178.6 | -62.3 | -177.3 | 0 | 0 | 0 | 108.2 | Y28 I30 V76 S109 F110 I112 | Y28-I129 WeakPolarHBondContact O-CA 3.4Å; I30-I129 HydrophobicContact CD1-CG2 3.48Å; I30-I129 VanDerWaalsContact CD1-CG2 3.48Å; I30-I129 HydrophobicContact CG1-CG2 3.63Å; I30-I129 HydrophobicContact CG2-CG2 4.27Å; V76-I129 HydrophobicContact CG1-CD1 4.04Å; V76-I129 HydrophobicContact CG2-CD1 4.27Å; S109-I129 CarbonylContact C-O 3.42Å; S109-I129 WeakPolarHBondContact CA-O 3.44Å; S109-I129 WeakPolarHBondContact CB-O 3.03Å; F110-I129 HydrophobicContact CD1-CB 4.35Å; F110-I129 HydrophobicContact CD1-CG2 4.39Å; F110-I129 HydrophobicContact CD2-CB 4.4Å; F110-I129 HydrophobicContact CE1-CB 4Å; F110-I129 HydrophobicContact CE1-CG2 3.67Å; F110-I129 HydrophobicContact CE2-CB 4.06Å; F110-I129 HydrophobicContact CE2-CD1 3.84Å; F110-I129 HydrophobicContact CE2-CG1 4.39Å; F110-I129 HydrophobicContact CE2-CG2 4.37Å; F110-I129 HydrophobicContact CZ-CB 3.85Å; F110-I129 HydrophobicContact CZ-CD1 3.94Å; F110-I129 HydrophobicContact CZ-CG1 4.45Å; F110-I129 HydrophobicContact CZ-CG2 3.66Å; F110-I129 PolarHBondContact N-O 2.9Å; F110-I129 PolarHBondContact O-N 2.95Å; I112-I129 HydrophobicContact CD1-CD1 4.14Å |
| 130 | I | 80.8 | Confident | 78.4 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.087 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126 | -179.1 | -61.6 | 159.8 | 0 | 0 | 0 | 108.6 | I27 Y28 I30 E107 | I27-I130 HydrophobicContact CG2-CD1 3.48Å; I27-I130 VanDerWaalsContact CG2-CD1 3.48Å; I27-I130 HydrophobicContact CG2-CG1 4.21Å; Y28-I130 PolarHBondContact O-N 2.88Å; I30-I130 WeakPolarHBondContact CG1-O 3.36Å; I30-I130 PolarHBondContact N-O 3.16Å; E107-I130 HydrophobicContact CB-CG2 3.74Å; E107-I130 WeakPolarHBondContact OE2-CD1 3.5Å |
| 131 | V | 82.1 | Confident | 79.8 | Confident | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.8 | -178.6 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | I30 E32 I92 R94 C108 F110 | I30-V131 HydrophobicContact CD1-CG2 4.36Å; I30-V131 HydrophobicContact CG1-CG2 4.4Å; E32-V131 HydrophobicContact CB-CG1 3.74Å; I92-V131 HydrophobicContact CG2-CG1 3.99Å; I92-V131 HydrophobicContact CG2-CG2 3.68Å; R94-V131 HydrophobicContact CB-CG1 4.11Å; R94-V131 HydrophobicContact CG-CG1 4.47Å; C108-V131 PolarHBondContact O-N 3.12Å; F110-V131 HydrophobicContact CD1-CG2 3.98Å; F110-V131 HydrophobicContact CE1-CG2 3.87Å |
| 132 | K | 79.7 | Confident | 81 | Confident | 107 Ų | 107 | 51.9 Ų | 51.9 | 47% | 0.465 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.6 | 178.5 | -64 | -166.7 | 174.5 | -162.4 | 0 | 112.3 | I30 R31 E32 | I30-K132 WeakPolarHBondContact O-CB 3.06Å; I30-K132 WeakPolarHBondContact O-CG 3.45Å; I30-K132 PolarHBondContact O-N 3.24Å; R31-K132 HydrophobicContact CG-CB 4.49Å; E32-K132 PolarHBondContact N-O 3.08Å |
| 133 | D | 80 | Confident | 82 | Confident | 35 Ų | 35 | 49 Ų | 49 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | trans | -48.1 | 137.6 | 174.1 | -171.6 | 118 | 0 | 0 | 0 | 112.7 | E32 R94 T170 N173 | E32-D133 VanDerWaalsContact OE1-C 3.31Å; E32-D133 WeakPolarHBondContact OE1-CA 3.25Å; R94-D133 IonicContact CZ-OD1 3.37Å; R94-D133 VanDerWaalsContact CZ-OD1 3.27Å; R94-D133 IonicContact NE-OD1 3.77Å; R94-D133 PolarHBondContact NE-OD1 2.85Å; R94-D133 VanDerWaalsContact NE-OD1 3.12Å; R94-D133 IonicContact NH2-OD1 3.12Å; R94-D133 PolarHBondContact NH2-OD1 2.78Å; D133-T170 WeakPolarHBondContact OD1-CA 3.26Å; D133-T170 WeakPolarHBondContact OD1-CB 3.2Å; D133-T170 PolarHBondContact OD1-N 2.9Å; D133-T170 PolarHBondContact OD1-OG1 2.92Å; D133-N173 PolarHBondContact OD2-ND2 3.49Å | ||
| 134 | T | 81.6 | Confident | 82.6 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | trans | -135.8 | 123.3 | 179.9 | -61.6 | 0 | 0 | 0 | 0 | 109.8 | E32 D136 | E32-T134 PolarHBondContact OE1-N 3.33Å; T134-D136 VanDerWaalsContact O-CB 3.25Å; T134-D136 WeakPolarHBondContact O-CB 3.32Å; T134-D136 PolarHBondContact O-N 2.82Å | ||
| 135 | N | 83.3 | Confident | 83.3 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | trans | -56.6 | 99.9 | -178.2 | -166.9 | 29.9 | 0 | 0 | 0 | 112.3 | D169 N173 D225 P229 K231 | N135-D169 VanDerWaalsContact CA-OD2 3.32Å; N135-D169 WeakPolarHBondContact CA-OD2 3.38Å; N135-D169 PolarHBondContact OD1-OD2 2.82Å; N135-N173 HydrophobicContact CB-CB 4.01Å; N135-N173 PolarHBondContact N-ND2 3.36Å; N135-D225 PolarHBondContact ND2-OD1 2.88Å; N135-D225 PolarHBondContact ND2-OD2 3.45Å; N135-P229 PolarHBondContact ND2-O 2.9Å; N135-K231 PolarHBondContact ND2-NZ 2.7Å; N135-K231 PolarHBondContact O-NZ 2.71Å; N135-K231 PolarHBondContact OD1-NZ 3.27Å | ||
| 136 | D | 81.9 | Confident | 84 | Confident | 85 Ų | 85 | 48.5 Ų | 48.5 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | trans | -125.7 | -41 | -167.8 | 152.5 | -79.6 | 0 | 0 | 0 | 110.6 | T134 D169 K231 | T134-D136 VanDerWaalsContact O-CB 3.25Å; T134-D136 WeakPolarHBondContact O-CB 3.32Å; T134-D136 PolarHBondContact O-N 2.82Å; D136-D169 PolarHBondContact N-OD2 3.42Å; D136-K231 VanDerWaalsContact C-NZ 3.3Å; D136-K231 VanDerWaalsContact N-NZ 3.11Å; D136-K231 WeakPolarHBondContact O-CE 3.43Å; D136-K231 PolarHBondContact O-NZ 2.76Å | ||
| 137 | N | 83.1 | Confident | 84.7 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -86.9 | -170.5 | 175.6 | -63.6 | -82.8 | 0 | 0 | 0 | 112.5 | P168 D169 K231 | N137-P168 HydrophobicContact CB-CB 4.19Å; N137-P168 HydrophobicContact CB-CG 3.89Å; N137-D169 VanDerWaalsContact CB-OD1 3.26Å; N137-D169 WeakPolarHBondContact CB-OD1 3.42Å; N137-D169 PolarHBondContact N-OD1 3Å; N137-D169 PolarHBondContact N-OD2 3.24Å; N137-D169 PolarHBondContact ND2-OD1 3.06Å; N137-K231 WeakPolarHBondContact O-CD 3.12Å; N137-K231 VanDerWaalsContact O-CE 3.26Å; N137-K231 WeakPolarHBondContact O-CE 3.03Å; N137-K231 PolarHBondContact O-NZ 3.37Å |
| 138 | A | 83.1 | Confident | 85.2 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | trans | -149.6 | 149.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | M140 K231 | A138-M140 PolarHBondContact O-N 3.2Å; A138-K231 HydrophobicContact CB-CB 3.88Å; A138-K231 HydrophobicContact CB-CD 4.23Å | ||
| 139 | P | 89.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -75.8 | 122.5 | -173.4 | 27 | -31.3 | 0 | 0 | 0 | 109.9 | D167 V175 V223 D225 S233 | P139-D167 WeakPolarHBondContact CA-OD2 3.2Å; P139-D167 HydrophobicContact CB-CB 4.16Å; P139-D167 WeakPolarHBondContact CB-OD2 3.16Å; P139-D167 WeakPolarHBondContact CD-OD2 3.33Å; P139-V175 HydrophobicContact CB-CG2 4.1Å; P139-V223 HydrophobicContact CB-CB 4.45Å; P139-V223 HydrophobicContact CB-CG1 3.83Å; P139-V223 HydrophobicContact CB-CG2 3.83Å; P139-V223 HydrophobicContact CG-CG1 3.96Å; P139-V223 HydrophobicContact CG-CG2 4.12Å; P139-V223 WeakPolarHBondContact O-CG1 3.2Å; P139-D225 HydrophobicContact CG-CB 4.34Å; P139-S233 WeakPolarHBondContact O-CB 3.18Å; P139-S233 PolarHBondContact O-OG 2.7Å | ||
| 140 | M | 88.3 | Confident | 86.1 | Confident | 119 Ų | 119 | 52.7 Ų | 52.7 | 59% | 0.586 | 30% | 0.303 | S | S | * | . | B | Isolated β-bridge | trans | -118.8 | 134.9 | -175 | -70.9 | -167.5 | -70.3 | 0 | 0 | 113 | A138 A165 T166 | A138-M140 PolarHBondContact O-N 3.2Å; M140-A165 CarbonylContact O-C 3.6Å; M140-A165 WeakPolarHBondContact O-CA 3.21Å; M140-A165 WeakPolarHBondContact O-CB 3.28Å; M140-T166 PolarHBondContact N-O 3.15Å; M140-T166 PolarHBondContact O-N 2.75Å |
| 141 | F | 89.7 | Confident | 86.6 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | trans | -74.7 | 148.4 | 168.9 | -68.9 | -78.2 | 0 | 0 | 0 | 111.7 | S143 I146 A165 Y178 I221 V223 A235 | F141-S143 PolarHBondContact O-N 3.2Å; F141-S143 VanDerWaalsContact O-N 3.16Å; F141-I146 HydrophobicContact CD1-CD1 4.21Å; F141-A165 HydrophobicContact CD1-CB 3.93Å; F141-A165 HydrophobicContact CE1-CB 4.05Å; F141-A165 HydrophobicContact CG-CB 4.2Å; F141-A165 HydrophobicContact CZ-CB 4.42Å; F141-Y178 HydrophobicContact CE1-CD1 4.16Å; F141-Y178 AromaticContact CE1-CE1 3.8Å; F141-Y178 HydrophobicContact CE1-CE1 3.8Å; F141-Y178 AromaticContact CZ-CD1 3.97Å; F141-Y178 HydrophobicContact CZ-CD1 3.97Å; F141-Y178 AromaticContact CZ-CE1 3.97Å; F141-Y178 HydrophobicContact CZ-CE1 3.97Å; F141-I221 HydrophobicContact CE1-CD1 4.18Å; F141-I221 HydrophobicContact CE1-CG1 4.45Å; F141-I221 HydrophobicContact CE1-CG2 3.89Å; F141-I221 HydrophobicContact CE2-CG2 4.03Å; F141-I221 HydrophobicContact CZ-CB 4.25Å; F141-I221 HydrophobicContact CZ-CD1 4.11Å; F141-I221 HydrophobicContact CZ-CG1 3.91Å; F141-I221 HydrophobicContact CZ-CG2 3.58Å; F141-V223 HydrophobicContact CD2-CG1 4.08Å; F141-V223 HydrophobicContact CE2-CB 3.94Å; F141-V223 HydrophobicContact CE2-CG1 3.51Å; F141-V223 HydrophobicContact CZ-CB 3.82Å; F141-V223 HydrophobicContact CZ-CG1 3.87Å; F141-A235 HydrophobicContact CB-CB 4.14Å; F141-A235 HydrophobicContact CD2-CB 3.75Å; F141-A235 HydrophobicContact CE2-CB 4.3Å; F141-A235 HydrophobicContact CG-CB 3.91Å | ||
| 142 | P | 87.3 | Confident | 87 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -70.4 | -7.4 | 179 | 28.1 | -36 | 0 | 0 | 0 | 114.4 | P163 S164 | P142-P163 HydrophobicContact CG-CB 3.68Å; P142-S164 VanDerWaalsContact CD-O 3.23Å; P142-S164 WeakPolarHBondContact CD-O 3.36Å |
| 143 | S | 87.7 | Confident | 87.5 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | trans | -155.6 | 146.7 | 172.4 | -77.9 | 0 | 0 | 0 | 0 | 111.5 | F141 V145 | F141-S143 PolarHBondContact O-N 3.2Å; F141-S143 VanDerWaalsContact O-N 3.16Å; S143-V145 VanDerWaalsContact C-N 3.3Å; S143-V145 PolarHBondContact O-N 2.84Å | ||
| 144 | P | 86.1 | Confident | 88 | Confident | 102 Ų | 102 | 53 Ų | 53 | 66% | 0.662 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -76.7 | -16.2 | -178.6 | 31.7 | -36.3 | 0 | 0 | 0 | 113.7 | I236 | P144-I236 PolarHBondContact O-N 2.69Š|
| 145 | V | 89.8 | Confident | 88.4 | Confident | 64 Ų | 64 | 57 Ų | 57 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.3 | 173.2 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | S143 N147 I236 | S143-V145 VanDerWaalsContact C-N 3.3Å; S143-V145 PolarHBondContact O-N 2.84Å; V145-N147 WeakPolarHBondContact CG1-OD1 3.16Å; V145-I236 CarbonylContact C-O 3.58Å; V145-I236 WeakPolarHBondContact CA-O 3.24Å; V145-I236 HydrophobicContact CG1-CB 4.46Å; V145-I236 HydrophobicContact CG1-CG2 4.46Å; V145-I236 HydrophobicContact CG2-CB 4.37Å; V145-I236 HydrophobicContact CG2-CD1 4.48Å |
| 146 | I | 90.4 | Very high | 88.7 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117.8 | 178.8 | -58.2 | 171.9 | 0 | 0 | 0 | 106.5 | F141 I148 I162 P163 I221 A235 I236 L237 Q238 | F141-I146 HydrophobicContact CD1-CD1 4.21Å; I146-I148 HydrophobicContact CG2-CG1 4.38Å; I146-I162 HydrophobicContact CD1-CG2 3.93Å; I146-I162 HydrophobicContact CG2-CG2 4.49Å; I146-P163 HydrophobicContact CG2-CG 4.42Å; I146-I221 HydrophobicContact CD1-CG2 4.26Å; I146-A235 HydrophobicContact CD1-CB 3.93Å; I146-A235 HydrophobicContact CG1-CB 4.26Å; I146-I236 PolarHBondContact N-O 2.87Å; I146-L237 HydrophobicContact CB-CD1 4Å; I146-L237 HydrophobicContact CG2-CD1 3.8Å; I146-Q238 PolarHBondContact O-N 2.98Å |
| 147 | N | 90.4 | Very high | 88.9 | Confident | 120 Ų | 120 | 60.7 Ų | 60.7 | 64% | 0.642 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.4 | -180 | -64.3 | -24.3 | 0 | 0 | 0 | 109.7 | V145 Q238 | V145-N147 WeakPolarHBondContact CG1-OD1 3.16Å; N147-Q238 WeakPolarHBondContact CA-O 3.1Å |
| 148 | I | 90.9 | Very high | 89.3 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 11% | 0.108 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127 | 174 | -52.4 | -173.9 | 0 | 0 | 0 | 109.2 | I146 I150 F160 I162 L203 L237 Q238 V239 T240 | I146-I148 HydrophobicContact CG2-CG1 4.38Å; I148-I150 HydrophobicContact CG2-CD1 4.08Å; I148-I150 HydrophobicContact CG2-CG1 3.79Å; I148-F160 HydrophobicContact CG2-CB 4.08Å; I148-F160 HydrophobicContact CG2-CD1 4.16Å; I148-F160 HydrophobicContact CG2-CG 4.26Å; I148-I162 HydrophobicContact CD1-CG1 4.1Å; I148-L203 HydrophobicContact CD1-CD2 4.45Å; I148-L237 HydrophobicContact CD1-CD1 3.82Å; I148-L237 HydrophobicContact CG1-CD1 4.06Å; I148-Q238 PolarHBondContact N-O 3.08Å; I148-V239 WeakPolarHBondContact O-CA 3.07Å; I148-T240 PolarHBondContact O-N 2.83Å |
| 149 | S | 90.8 | Very high | 89.6 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 56% | 0.559 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 124.5 | 172.2 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | T240 | S149-T240 WeakPolarHBondContact CA-O 3.42Å |
| 150 | I | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.2 | -177.4 | -60 | -176 | 0 | 0 | 0 | 109.9 | I148 T154 F160 F187 L203 V205 L209 V239 T240 V241 T242 | I148-I150 HydrophobicContact CG2-CD1 4.08Å; I148-I150 HydrophobicContact CG2-CG1 3.79Å; I150-T154 HydrophobicContact CG2-CG2 4.17Å; I150-F160 HydrophobicContact CB-CZ 4.23Å; I150-F160 HydrophobicContact CD1-CD1 4.32Å; I150-F160 HydrophobicContact CD1-CD2 3.58Å; I150-F160 HydrophobicContact CD1-CE1 4.44Å; I150-F160 HydrophobicContact CD1-CE2 3.74Å; I150-F160 HydrophobicContact CD1-CG 3.91Å; I150-F160 HydrophobicContact CD1-CZ 4.18Å; I150-F160 HydrophobicContact CG1-CD1 4.02Å; I150-F160 HydrophobicContact CG1-CD2 4.09Å; I150-F160 HydrophobicContact CG1-CE1 3.88Å; I150-F160 HydrophobicContact CG1-CE2 3.98Å; I150-F160 HydrophobicContact CG1-CG 4.13Å; I150-F160 HydrophobicContact CG1-CZ 3.87Å; I150-F160 HydrophobicContact CG2-CE1 4.41Å; I150-F160 HydrophobicContact CG2-CE2 3.86Å; I150-F160 HydrophobicContact CG2-CZ 3.67Å; I150-F187 HydrophobicContact CD1-CE1 3.8Å; I150-L203 HydrophobicContact CD1-CD2 4.17Å; I150-V205 HydrophobicContact CD1-CG2 4.37Å; I150-V205 HydrophobicContact CG2-CG2 4.28Å; I150-L209 HydrophobicContact CB-CD1 4.31Å; I150-L209 HydrophobicContact CG2-CD1 3.56Å; I150-V239 HydrophobicContact CB-CG1 4.4Å; I150-V239 HydrophobicContact CD1-CG1 3.69Å; I150-V239 HydrophobicContact CG1-CG1 3.99Å; I150-T240 PolarHBondContact N-O 3.33Å; I150-V241 CarbonylContact O-C 3.56Å; I150-V241 VanDerWaalsContact O-CA 3.29Å; I150-V241 WeakPolarHBondContact O-CA 3.17Å; I150-T242 PolarHBondContact O-N 3.4Å; I150-T242 PolarHBondContact O-OG1 2.95Å |
| 151 | P | 90.8 | Very high | 89.7 | Confident | 47 Ų | 47 | 65 Ų | 65 | 31% | 0.305 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 139.7 | 172.4 | -23.8 | 34.8 | 0 | 0 | 0 | 112 | N153 T154 T242 V244 | P151-N153 VanDerWaalsContact C-N 3.33Å; P151-N153 WeakPolarHBondContact CB-OD1 3.13Å; P151-N153 PolarHBondContact O-N 3.01Å; P151-T154 WeakPolarHBondContact O-CB 3.43Å; P151-T154 PolarHBondContact O-N 2.61Å; P151-T154 PolarHBondContact O-OG1 3.4Å; P151-T242 WeakPolarHBondContact CA-O 3.17Å; P151-T242 VanDerWaalsContact CA-OG1 3.29Å; P151-T242 WeakPolarHBondContact CA-OG1 3.26Å; P151-V244 HydrophobicContact CB-CG2 4Å |
| 152 | E | 91.1 | Very high | 89.6 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.028 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -32.3 | -175.9 | 64.8 | -145.9 | 110.4 | 0 | 0 | 114.5 | T154 L209 R211 V241 T242 D243 V244 | E152-T154 PolarHBondContact O-N 3.05Å; E152-L209 HydrophobicContact CB-CB 4.06Å; E152-R211 WeakPolarHBondContact OE2-CA 3.37Å; E152-R211 WeakPolarHBondContact OE2-CB 3.06Å; E152-R211 PolarHBondContact OE2-N 2.72Å; E152-V241 HydrophobicContact CB-CG1 3.6Å; E152-T242 PolarHBondContact N-O 3.29Å; E152-D243 WeakPolarHBondContact OE1-CA 3.45Å; E152-V244 HydrophobicContact CG-CB 4.07Å; E152-V244 HydrophobicContact CG-CG2 4.13Å; E152-V244 PolarHBondContact OE1-N 2.73Å |
| 153 | N | 89.1 | Confident | 89.7 | Confident | 101 Ų | 101 | 63 Ų | 63 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 5.2 | 171.9 | 74.4 | -1 | 0 | 0 | 0 | 114.3 | P151 L155 V244 | P151-N153 VanDerWaalsContact C-N 3.33Å; P151-N153 WeakPolarHBondContact CB-OD1 3.13Å; P151-N153 PolarHBondContact O-N 3.01Å; N153-L155 PolarHBondContact O-N 3.36Å; N153-V244 HydrophobicContact CB-CG1 4.26Å; N153-V244 HydrophobicContact CB-CG2 4.34Å |
| 154 | T | 91.6 | Very high | 89.7 | Confident | 18 Ų | 18 | 62 Ų | 62 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 123.4 | 176 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | I150 P151 E152 F160 V205 | I150-T154 HydrophobicContact CG2-CG2 4.17Å; P151-T154 WeakPolarHBondContact O-CB 3.43Å; P151-T154 PolarHBondContact O-N 2.61Å; P151-T154 PolarHBondContact O-OG1 3.4Å; E152-T154 PolarHBondContact O-N 3.05Å; T154-F160 HydrophobicContact CG2-CE2 3.89Å; T154-F160 HydrophobicContact CG2-CZ 3.97Å; T154-V205 HydrophobicContact CG2-CB 4.36Å; T154-V205 HydrophobicContact CG2-CG2 3.84Å |
| 155 | L | 89.3 | Confident | 89.7 | Confident | 135 Ų | 135 | 57.5 Ų | 57.5 | 71% | 0.707 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 145.1 | 179.2 | -58.4 | 178.1 | 0 | 0 | 0 | 112.7 | N153 N157 S158 | N153-L155 PolarHBondContact O-N 3.36Å; L155-N157 PolarHBondContact O-N 3.46Å; L155-S158 WeakPolarHBondContact O-CB 3.21Å; L155-S158 PolarHBondContact O-N 2.98Å; L155-S158 VanDerWaalsContact O-N 3.07Å; L155-S158 PolarHBondContact O-OG 3.05Å |
| 156 | I | 89 | Confident | 89.5 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 138.8 | 170.7 | -57.5 | 176.9 | 0 | 0 | 0 | 109.7 | ||
| 157 | N | 87.8 | Confident | 89.3 | Confident | 115 Ų | 115 | 59.5 Ų | 59.5 | 62% | 0.615 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 4.2 | -170.5 | -47 | -75.7 | 0 | 0 | 0 | 116.1 | L155 V205 | L155-N157 PolarHBondContact O-N 3.46Å; N157-V205 PolarHBondContact N-O 3.24Å |
| 158 | S | 90.1 | Very high | 88.8 | Confident | 41 Ų | 41 | 57 Ų | 57 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | trans | -62.5 | 144.7 | 166.2 | -74.9 | 0 | 0 | 0 | 0 | 112.1 | L155 I204 V205 | L155-S158 WeakPolarHBondContact O-CB 3.21Å; L155-S158 PolarHBondContact O-N 2.98Å; L155-S158 VanDerWaalsContact O-N 3.07Å; L155-S158 PolarHBondContact O-OG 3.05Å; S158-I204 WeakPolarHBondContact O-CA 3.23Å; S158-V205 PolarHBondContact O-N 2.87Å | ||
| 159 | R | 89.9 | Confident | 88.4 | Confident | 123 Ų | 123 | 56 Ų | 56 | 46% | 0.464 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.5 | -169.1 | -72.2 | 157.2 | 174.1 | -81.6 | -6.8 | 111.4 | D190 L203 I204 | R159-D190 IonicContact CZ-OD2 2.63Å; R159-D190 IonicContact NH1-OD2 3.77Å; R159-D190 PolarHBondContact NH1-OD2 3.14Å; R159-D190 IonicContact NH2-OD2 3.27Å; R159-D190 PolarHBondContact NH2-OD2 3.46Å; R159-L203 CarbonylContact C-O 3.45Å; R159-L203 WeakPolarHBondContact CA-O 3.27Å; R159-I204 HydrophobicContact CG-CD1 4.44Å; R159-I204 HydrophobicContact CG-CG1 3.99Å |
| 160 | F | 90.8 | Very high | 87.7 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.4 | 175.6 | -62.7 | -94.8 | 0 | 0 | 0 | 109.3 | I148 I150 T154 I162 Q202 L203 V205 | I148-F160 HydrophobicContact CG2-CB 4.08Å; I148-F160 HydrophobicContact CG2-CD1 4.16Å; I148-F160 HydrophobicContact CG2-CG 4.26Å; I150-F160 HydrophobicContact CB-CZ 4.23Å; I150-F160 HydrophobicContact CD1-CD1 4.32Å; I150-F160 HydrophobicContact CD1-CD2 3.58Å; I150-F160 HydrophobicContact CD1-CE1 4.44Å; I150-F160 HydrophobicContact CD1-CE2 3.74Å; I150-F160 HydrophobicContact CD1-CG 3.91Å; I150-F160 HydrophobicContact CD1-CZ 4.18Å; I150-F160 HydrophobicContact CG1-CD1 4.02Å; I150-F160 HydrophobicContact CG1-CD2 4.09Å; I150-F160 HydrophobicContact CG1-CE1 3.88Å; I150-F160 HydrophobicContact CG1-CE2 3.98Å; I150-F160 HydrophobicContact CG1-CG 4.13Å; I150-F160 HydrophobicContact CG1-CZ 3.87Å; I150-F160 HydrophobicContact CG2-CE1 4.41Å; I150-F160 HydrophobicContact CG2-CE2 3.86Å; I150-F160 HydrophobicContact CG2-CZ 3.67Å; T154-F160 HydrophobicContact CG2-CE2 3.89Å; T154-F160 HydrophobicContact CG2-CZ 3.97Å; F160-I162 PolarHBondContact O-N 3.24Å; F160-Q202 CarbonylContact O-C 3.5Å; F160-Q202 WeakPolarHBondContact O-CA 3.48Å; F160-L203 HydrophobicContact CB-CB 4.39Å; F160-L203 PolarHBondContact N-O 2.74Å; F160-L203 PolarHBondContact O-N 2.71Å; F160-V205 HydrophobicContact CD2-CG2 4.29Å; F160-V205 HydrophobicContact CE2-CG2 3.82Å |
| 161 | A | 87.8 | Confident | 86.9 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 69% | 0.686 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 130.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 162 | I | 89.3 | Confident | 86.1 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 136.1 | 168.3 | -56.3 | 174.2 | 0 | 0 | 0 | 106.5 | I146 I148 F160 S164 L189 P201 L203 I221 L237 | I146-I162 HydrophobicContact CD1-CG2 3.93Å; I146-I162 HydrophobicContact CG2-CG2 4.49Å; I148-I162 HydrophobicContact CD1-CG1 4.1Å; F160-I162 PolarHBondContact O-N 3.24Å; I162-S164 PolarHBondContact O-N 2.58Å; I162-L189 HydrophobicContact CD1-CD1 3.7Å; I162-P201 HydrophobicContact CB-CB 4.13Å; I162-P201 HydrophobicContact CB-CG 3.98Å; I162-P201 WeakPolarHBondContact CB-O 3.16Å; I162-P201 HydrophobicContact CD1-CB 4.42Å; I162-P201 HydrophobicContact CG2-CG 4.19Å; I162-P201 PolarHBondContact N-O 2.7Å; I162-L203 HydrophobicContact CD1-CB 4.03Å; I162-L203 HydrophobicContact CD1-CD1 4.34Å; I162-L203 HydrophobicContact CG1-CB 4.2Å; I162-I221 HydrophobicContact CD1-CD1 4.04Å; I162-I221 HydrophobicContact CG2-CD1 4.07Å; I162-L237 HydrophobicContact CD1-CD2 4.04Å |
| 163 | P | 88.8 | Confident | 85.5 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -54 | 125.8 | 172.1 | -26 | 34.8 | 0 | 0 | 0 | 111.3 | P142 I146 | P142-P163 HydrophobicContact CG-CB 3.68Å; I146-P163 HydrophobicContact CG2-CG 4.42Å |
| 164 | S | 87.3 | Confident | 85.1 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 152 | 173.4 | 41.2 | 0 | 0 | 0 | 0 | 111 | P142 I162 | P142-S164 VanDerWaalsContact CD-O 3.23Å; P142-S164 WeakPolarHBondContact CD-O 3.36Å; I162-S164 PolarHBondContact O-N 2.58Å |
| 165 | A | 86.9 | Confident | 84.7 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 156.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | M140 F141 Y178 V223 | M140-A165 CarbonylContact O-C 3.6Å; M140-A165 WeakPolarHBondContact O-CA 3.21Å; M140-A165 WeakPolarHBondContact O-CB 3.28Å; F141-A165 HydrophobicContact CD1-CB 3.93Å; F141-A165 HydrophobicContact CE1-CB 4.05Å; F141-A165 HydrophobicContact CG-CB 4.2Å; F141-A165 HydrophobicContact CZ-CB 4.42Å; A165-Y178 HydrophobicContact CB-CE1 4.04Å; A165-Y178 PolarHBondContact N-OH 2.76Å; A165-V223 HydrophobicContact CB-CB 4.13Å; A165-V223 HydrophobicContact CB-CG1 3.72Å; A165-V223 HydrophobicContact CB-CG2 4Å |
| 166 | T | 85.3 | Confident | 84.4 | Confident | 99 Ų | 99 | 56 Ų | 56 | 61% | 0.607 | 34% | 0.339 | S | S | * | . | B | Isolated β-bridge | trans | -120 | 142 | 178.7 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | M140 | M140-T166 PolarHBondContact N-O 3.15Å; M140-T166 PolarHBondContact O-N 2.75Å |
| 167 | D | 85 | Confident | 84.3 | Confident | 20 Ų | 20 | 56 Ų | 56 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | trans | -131.3 | 130.4 | 175 | -151.3 | -34.3 | 0 | 0 | 0 | 109.8 | P139 D169 V175 | P139-D167 WeakPolarHBondContact CA-OD2 3.2Å; P139-D167 HydrophobicContact CB-CB 4.16Å; P139-D167 WeakPolarHBondContact CB-OD2 3.16Å; P139-D167 WeakPolarHBondContact CD-OD2 3.33Å; D167-D169 VanDerWaalsContact C-N 3.3Å; D167-D169 PolarHBondContact OD1-N 2.91Å; D167-V175 HydrophobicContact CB-CG2 3.77Å | ||
| 168 | P | 80.6 | Confident | 84.4 | Confident | 66 Ų | 66 | 51 Ų | 51 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -66.1 | -26.1 | 173.9 | -23.3 | 34.8 | 0 | 0 | 0 | 115.1 | R94 E95 N137 | R94-P168 PolarHBondContact NH2-O 3.2Å; R94-P168 VanDerWaalsContact NH2-O 3.1Å; E95-P168 HydrophobicContact CG-CB 4.26Å; N137-P168 HydrophobicContact CB-CB 4.19Å; N137-P168 HydrophobicContact CB-CG 3.89Å |
| 169 | D | 82.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -76.4 | 149.1 | -173 | -65.6 | 5 | 0 | 0 | 0 | 110.9 | N135 D136 N137 D167 N173 S174 | N135-D169 VanDerWaalsContact CA-OD2 3.32Å; N135-D169 WeakPolarHBondContact CA-OD2 3.38Å; N135-D169 PolarHBondContact OD1-OD2 2.82Å; D136-D169 PolarHBondContact N-OD2 3.42Å; N137-D169 VanDerWaalsContact CB-OD1 3.26Å; N137-D169 WeakPolarHBondContact CB-OD1 3.42Å; N137-D169 PolarHBondContact N-OD1 3Å; N137-D169 PolarHBondContact N-OD2 3.24Å; N137-D169 PolarHBondContact ND2-OD1 3.06Å; D167-D169 VanDerWaalsContact C-N 3.3Å; D167-D169 PolarHBondContact OD1-N 2.91Å; D169-N173 HydrophobicContact CB-CB 3.84Å; D169-S174 WeakPolarHBondContact O-CA 3.16Å; D169-S174 WeakPolarHBondContact O-CB 3.23Å; D169-S174 PolarHBondContact O-OG 2.85Å |
| 170 | T | 76.3 | Confident | 84.4 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | trans | -111.6 | 157.7 | -167.3 | 62.4 | 0 | 0 | 0 | 0 | 115.3 | R94 D133 P172 N173 | R94-T170 VanDerWaalsContact NH1-CG2 3.32Å; R94-T170 PolarHBondContact NH1-OG1 2.77Å; D133-T170 WeakPolarHBondContact OD1-CA 3.26Å; D133-T170 WeakPolarHBondContact OD1-CB 3.2Å; D133-T170 PolarHBondContact OD1-N 2.9Å; D133-T170 PolarHBondContact OD1-OG1 2.92Å; T170-P172 WeakPolarHBondContact O-CD 3.38Å; T170-N173 PolarHBondContact O-N 2.79Å | ||
| 171 | G | 75.3 | Confident | 84.1 | Confident | 63 Ų | 63 | 49 Ų | 49 | 65% | 0.649 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | 61.3 | -124.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N173 S174 | G171-N173 PolarHBondContact O-N 3.17Å; G171-S174 PolarHBondContact O-N 2.78Å |
| 172 | P | 74.1 | Confident | 83.8 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 61% | 0.61 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -68 | -20.6 | -177.3 | 31.2 | -36.2 | 0 | 0 | 0 | 113.5 | T170 S174 G226 | T170-P172 WeakPolarHBondContact O-CD 3.38Å; P172-S174 VanDerWaalsContact C-N 3.28Å; P172-G226 CarbonylContact O-C 3.55Å; P172-G226 WeakPolarHBondContact O-CA 3.42Å; P172-G226 PolarHBondContact O-N 3.15Å |
| 173 | N | 78.6 | Confident | 83.2 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -84.3 | -3 | -179.5 | -62.1 | -24.1 | 0 | 0 | 0 | 112.7 | D133 N135 D169 T170 G171 D225 G227 | D133-N173 PolarHBondContact OD2-ND2 3.49Å; N135-N173 HydrophobicContact CB-CB 4.01Å; N135-N173 PolarHBondContact N-ND2 3.36Å; D169-N173 HydrophobicContact CB-CB 3.84Å; T170-N173 PolarHBondContact O-N 2.79Å; G171-N173 PolarHBondContact O-N 3.17Å; N173-D225 WeakPolarHBondContact O-CB 3.41Å; N173-G227 WeakPolarHBondContact OD1-CA 3.19Å |
| 174 | S | 80.9 | Confident | 82.9 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -84.1 | -175.7 | 176.6 | -147.6 | 0 | 0 | 0 | 0 | 113.1 | D169 G171 P172 H176 D225 G226 | D169-S174 WeakPolarHBondContact O-CA 3.16Å; D169-S174 WeakPolarHBondContact O-CB 3.23Å; D169-S174 PolarHBondContact O-OG 2.85Å; G171-S174 PolarHBondContact O-N 2.78Å; P172-S174 VanDerWaalsContact C-N 3.28Å; S174-H176 PolarHBondContact O-N 2.67Å; S174-D225 WeakPolarHBondContact O-CA 3.34Å; S174-G226 PolarHBondContact O-N 2.55Å |
| 175 | V | 83.8 | Confident | 82.8 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.4 | 108 | -179.5 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | P139 D167 Y178 K199 V223 | P139-V175 HydrophobicContact CB-CG2 4.1Å; D167-V175 HydrophobicContact CB-CG2 3.77Å; V175-Y178 HydrophobicContact CG1-CE2 3.76Å; V175-K199 WeakPolarHBondContact O-CE 3.08Å; V175-V223 HydrophobicContact CG1-CG2 3.74Å |
| 176 | H | 83.3 | Confident | 82.8 | Confident | 100 Ų | 100 | 54 Ų | 54 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -44.1 | -171.6 | -173.4 | 83.7 | 0 | 0 | 0 | 113.4 | S174 K199 E224 D225 G226 | S174-H176 PolarHBondContact O-N 2.67Å; H176-K199 VanDerWaalsContact O-CD 3.27Å; H176-K199 WeakPolarHBondContact O-CD 3.39Å; H176-K199 VanDerWaalsContact O-CE 3.25Å; H176-K199 WeakPolarHBondContact O-CE 3.26Å; H176-K199 PolarHBondContact O-NZ 3.01Å; H176-E224 PolarHBondContact N-O 3.41Å; H176-D225 VanDerWaalsContact CB-C 3.47Å; H176-G226 VanDerWaalsContact CB-N 3.29Å |
| 177 | K | 86.6 | Confident | 83.1 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 139.5 | -170.9 | 170.1 | 166.7 | 166 | -94 | 0 | 112.3 | E179 V223 E224 | K177-E179 WeakPolarHBondContact CE-OE2 3.41Å; K177-E179 IonicContact NZ-OE2 2.65Å; K177-E179 PolarHBondContact NZ-OE2 2.82Å; K177-V223 CarbonylContact O-C 3.56Å; K177-V223 WeakPolarHBondContact O-CA 3.1Å; K177-E224 HydrophobicContact CB-CB 4.48Å; K177-E224 WeakPolarHBondContact CD-OE2 3.27Å; K177-E224 PolarHBondContact N-O 3.08Å; K177-E224 IonicContact NZ-OE2 3.57Å; K177-E224 PolarHBondContact NZ-OE2 3.43Å; K177-E224 PolarHBondContact O-N 2.78Å |
| 178 | Y | 89.8 | Confident | 83.2 | Confident | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 148.8 | 165 | -62.8 | -92.3 | 0 | 0 | 0 | 110.3 | F141 A165 V175 I191 K199 P201 I221 K222 V223 | F141-Y178 HydrophobicContact CE1-CD1 4.16Å; F141-Y178 AromaticContact CE1-CE1 3.8Å; F141-Y178 HydrophobicContact CE1-CE1 3.8Å; F141-Y178 AromaticContact CZ-CD1 3.97Å; F141-Y178 HydrophobicContact CZ-CD1 3.97Å; F141-Y178 AromaticContact CZ-CE1 3.97Å; F141-Y178 HydrophobicContact CZ-CE1 3.97Å; A165-Y178 HydrophobicContact CB-CE1 4.04Å; A165-Y178 PolarHBondContact N-OH 2.76Å; V175-Y178 HydrophobicContact CG1-CE2 3.76Å; Y178-I191 HydrophobicContact CD2-CD1 4.27Å; Y178-I191 HydrophobicContact CD2-CG2 4.45Å; Y178-K199 HydrophobicContact CD2-CB 4.41Å; Y178-K199 HydrophobicContact CE2-CB 3.84Å; Y178-K199 WeakPolarHBondContact CE2-O 3.18Å; Y178-K199 PolarHBondContact OH-O 3.47Å; Y178-K199 VanDerWaalsContact OH-O 3.13Å; Y178-P201 HydrophobicContact CD1-CB 4.31Å; Y178-P201 HydrophobicContact CD1-CG 4.11Å; Y178-P201 HydrophobicContact CD2-CB 4.44Å; Y178-P201 HydrophobicContact CE1-CG 3.84Å; Y178-P201 HydrophobicContact CE2-CG 4.31Å; Y178-P201 HydrophobicContact CG-CB 4.26Å; Y178-P201 HydrophobicContact CG-CG 4.44Å; Y178-I221 HydrophobicContact CD1-CD1 4.06Å; Y178-I221 HydrophobicContact CD1-CG1 4.48Å; Y178-K222 CarbonylContact C-O 3.56Å; Y178-K222 VanDerWaalsContact CA-O 3.3Å; Y178-K222 WeakPolarHBondContact CA-O 3.45Å; Y178-V223 HydrophobicContact CD1-CB 3.77Å; Y178-V223 HydrophobicContact CD1-CG2 3.83Å; Y178-V223 HydrophobicContact CE1-CB 3.82Å; Y178-V223 HydrophobicContact CE1-CG2 3.63Å; Y178-V223 HydrophobicContact CG-CG2 4.42Å |
| 179 | E | 88.8 | Confident | 83.7 | Confident | 88 Ų | 88 | 48 Ų | 48 | 41% | 0.411 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 145.2 | 177.4 | -170.1 | 178.1 | 129.9 | 0 | 0 | 111.3 | K177 K222 | K177-E179 WeakPolarHBondContact CE-OE2 3.41Å; K177-E179 IonicContact NZ-OE2 2.65Å; K177-E179 PolarHBondContact NZ-OE2 2.82Å; E179-K222 HydrophobicContact CB-CB 4.49Å; E179-K222 PolarHBondContact N-O 2.97Å; E179-K222 PolarHBondContact O-N 2.64Å |
| 180 | L | 89.6 | Confident | 84 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 93 | -179.8 | -167.3 | 67.7 | 0 | 0 | 0 | 111.3 | G183 L189 M219 K220 L237 | L180-G183 PolarHBondContact O-N 2.96Å; L180-L189 HydrophobicContact CB-CB 4.26Å; L180-L189 HydrophobicContact CB-CD2 4.42Å; L180-M219 HydrophobicContact CD1-CB 4.04Å; L180-M219 HydrophobicContact CD1-SD 4.46Å; L180-M219 HydrophobicContact CD2-SD 3.87Å; L180-M219 HydrophobicContact CG-SD 4.4Å; L180-K220 CarbonylContact C-O 3.59Å; L180-L237 HydrophobicContact CD1-CD2 4.02Å |
| 181 | I | 85.5 | Confident | 84.5 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 132.9 | 173.9 | -60.7 | 175.1 | 0 | 0 | 0 | 109.7 | G183 K220 K222 T234 | I181-G183 PolarHBondContact O-N 2.88Å; I181-K220 WeakPolarHBondContact CA-O 3.24Å; I181-K220 HydrophobicContact CB-CB 4.06Å; I181-K220 HydrophobicContact CG2-CB 4.49Å; I181-K220 PolarHBondContact N-O 3.08Å; I181-K220 PolarHBondContact O-N 2.79Å; I181-K220 VanDerWaalsContact O-O 3.12Å; I181-K222 HydrophobicContact CD1-CB 3.86Å; I181-K222 HydrophobicContact CD1-CD 4.21Å; I181-K222 HydrophobicContact CD1-CG 4.31Å; I181-K222 HydrophobicContact CG1-CB 4.17Å; I181-T234 HydrophobicContact CD1-CG2 4.04Å |
| 182 | N | 81.8 | Confident | 85 | Confident | 119 Ų | 119 | 50.6 Ų | 50.6 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 29.9 | -174.9 | -59 | -6.3 | 0 | 0 | 0 | 113.5 | Q184 | N182-Q184 PolarHBondContact O-NE2 2.82Š|
| 183 | G | 76 | Confident | 85.4 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | trans | -48.2 | 139.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L180 I181 | L180-G183 PolarHBondContact O-N 2.96Å; I181-G183 PolarHBondContact O-N 2.88Å | ||
| 184 | Q | 83.6 | Confident | 85.3 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 30% | 0.304 | 28% | 0.283 | S | S | . | . | trans | -100 | 146.3 | -178.2 | -57.9 | -74.3 | -77.9 | 0 | 0 | 108.5 | N182 A186 F187 Y217 M219 | N182-Q184 PolarHBondContact O-NE2 2.82Å; Q184-A186 PolarHBondContact O-N 3.04Å; Q184-F187 PolarHBondContact O-N 2.86Å; Q184-F187 VanDerWaalsContact O-O 3.09Å; Q184-Y217 HydrophobicContact CB-CD1 3.96Å; Q184-Y217 HydrophobicContact CG-CD1 3.96Å; Q184-M219 HydrophobicContact CB-SD 3.97Å; Q184-M219 HydrophobicContact CG-CG 3.71Å; Q184-M219 HydrophobicContact CG-SD 3.74Å | ||
| 185 | S | 84.4 | Confident | 84.9 | Confident | 81 Ų | 81 | 56 Ų | 56 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.3 | -176.7 | 58.5 | 0 | 0 | 0 | 0 | 114.8 | F187 Q207 | S185-F187 VanDerWaalsContact C-N 3.34Å; S185-Q207 VanDerWaalsContact C-OE1 3.23Å; S185-Q207 VanDerWaalsContact O-CD 3.24Å; S185-Q207 WeakPolarHBondContact O-CG 3.39Å; S185-Q207 PolarHBondContact O-OE1 2.86Å; S185-Q207 PolarHBondContact OG-OE1 3.37Å |
| 186 | A | 86.5 | Confident | 84.1 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -16.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q184 Q206 Q207 L209 Y217 | Q184-A186 PolarHBondContact O-N 3.04Å; A186-Q206 PolarHBondContact O-N 3.36Å; A186-Q207 HydrophobicContact CB-CB 4.41Å; A186-L209 HydrophobicContact CB-CD2 3.88Å; A186-Y217 HydrophobicContact CB-CE1 4.05Å |
| 187 | F | 91.3 | Very high | 83.5 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 2% | 0.022 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 119.7 | -172.9 | -59.8 | -71.9 | 0 | 0 | 0 | 113.3 | I150 Q184 S185 L203 I204 V205 L209 Y217 M219 V239 | I150-F187 HydrophobicContact CD1-CE1 3.8Å; Q184-F187 PolarHBondContact O-N 2.86Å; Q184-F187 VanDerWaalsContact O-O 3.09Å; S185-F187 VanDerWaalsContact C-N 3.34Å; F187-L203 HydrophobicContact CB-CD1 3.93Å; F187-L203 HydrophobicContact CB-CD2 4.45Å; F187-L203 HydrophobicContact CB-CG 4.22Å; F187-L203 HydrophobicContact CD1-CD2 3.68Å; F187-L203 HydrophobicContact CD1-CG 3.99Å; F187-L203 HydrophobicContact CE1-CD2 4.2Å; F187-L203 HydrophobicContact CG-CD2 4.16Å; F187-L203 HydrophobicContact CG-CG 4.39Å; F187-I204 CarbonylContact C-O 3.55Å; F187-I204 WeakPolarHBondContact CA-O 3.22Å; F187-V205 HydrophobicContact CD1-CG2 4.41Å; F187-V205 HydrophobicContact CE1-CG2 4.09Å; F187-L209 HydrophobicContact CE1-CD1 4.15Å; F187-L209 HydrophobicContact CE1-CD2 4.15Å; F187-L209 HydrophobicContact CE2-CD2 4.12Å; F187-L209 HydrophobicContact CZ-CD1 3.97Å; F187-L209 HydrophobicContact CZ-CD2 3.56Å; F187-L209 HydrophobicContact CZ-CG 4.43Å; F187-Y217 HydrophobicContact CD2-CD1 4.23Å; F187-Y217 HydrophobicContact CD2-CG 4.29Å; F187-Y217 AromaticContact CE2-CD1 3.82Å; F187-Y217 HydrophobicContact CE2-CD1 3.82Å; F187-Y217 AromaticContact CE2-CD2 3.84Å; F187-Y217 HydrophobicContact CE2-CD2 3.84Å; F187-Y217 HydrophobicContact CE2-CE1 4.26Å; F187-Y217 HydrophobicContact CE2-CE2 4.3Å; F187-Y217 AromaticContact CE2-CG 3.6Å; F187-Y217 HydrophobicContact CE2-CG 3.6Å; F187-Y217 HydrophobicContact CZ-CD2 4.48Å; F187-M219 HydrophobicContact CB-CE 3.92Å; F187-M219 HydrophobicContact CB-SD 4.08Å; F187-M219 HydrophobicContact CD2-CE 3.67Å; F187-M219 HydrophobicContact CD2-SD 4.22Å; F187-M219 HydrophobicContact CE2-CE 4.46Å; F187-M219 HydrophobicContact CG-CE 3.93Å; F187-V239 HydrophobicContact CE1-CG1 4.1Å; F187-V239 HydrophobicContact CE2-CB 4.41Å; F187-V239 HydrophobicContact CE2-CG1 4.25Å; F187-V239 HydrophobicContact CZ-CB 4.32Å; F187-V239 HydrophobicContact CZ-CG1 3.68Å |
| 188 | G | 88.3 | Confident | 83 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 163.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | I204 | G188-I204 PolarHBondContact N-O 3.48Å; G188-I204 PolarHBondContact O-N 3.44Å |
| 189 | L | 90.3 | Very high | 82.7 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.4 | 169.5 | -177.9 | 67.8 | 0 | 0 | 0 | 108.7 | I162 L180 P201 I221 | I162-L189 HydrophobicContact CD1-CD1 3.7Å; L180-L189 HydrophobicContact CB-CB 4.26Å; L180-L189 HydrophobicContact CB-CD2 4.42Å; L189-P201 HydrophobicContact CD1-CB 3.94Å; L189-I221 HydrophobicContact CD1-CD1 4.07Å; L189-I221 HydrophobicContact CD2-CD1 4.32Å; L189-I221 HydrophobicContact CD2-CG1 4.47Å |
| 190 | D | 88.9 | Confident | 82.6 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 28% | 0.283 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 157.2 | 168.8 | -166 | 13.7 | 0 | 0 | 0 | 109.8 | R159 P201 Q202 I204 | R159-D190 IonicContact CZ-OD2 2.63Å; R159-D190 IonicContact NH1-OD2 3.77Å; R159-D190 PolarHBondContact NH1-OD2 3.14Å; R159-D190 IonicContact NH2-OD2 3.27Å; R159-D190 PolarHBondContact NH2-OD2 3.46Å; D190-P201 WeakPolarHBondContact O-CA 3.14Å; D190-Q202 PolarHBondContact N-O 3.02Å; D190-Q202 PolarHBondContact O-N 2.75Å; D190-I204 HydrophobicContact CB-CD1 3.53Å; D190-I204 HydrophobicContact CB-CG1 3.96Å |
| 191 | I | 87.6 | Confident | 82.6 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 30% | 0.303 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 108.5 | -175.3 | -55.5 | 175 | 0 | 0 | 0 | 107.5 | Y178 K199 | Y178-I191 HydrophobicContact CD2-CD1 4.27Å; Y178-I191 HydrophobicContact CD2-CG2 4.45Å; I191-K199 HydrophobicContact CG2-CB 3.81Å; I191-K199 HydrophobicContact CG2-CG 4.3Å |
| 192 | V | 84.8 | Confident | 82.8 | Confident | 53 Ų | 53 | 62 Ų | 62 | 32% | 0.321 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 118.8 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | W200 Q202 | V192-W200 PolarHBondContact N-O 3.46Å; V192-W200 PolarHBondContact O-N 3.4Å; V192-Q202 HydrophobicContact CG2-CG 4.34Å |
| 193 | E | 82.8 | Confident | 83.3 | Confident | 120 Ų | 120 | 56.4 Ų | 56.4 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.8 | 176.6 | -166.1 | 161 | -125.6 | 0 | 0 | 109.3 | E198 K199 | E193-E198 CarbonylContact C-O 3.59Å; E193-E198 VanDerWaalsContact CA-O 3.29Å; E193-E198 WeakPolarHBondContact CA-O 3.45Å; E193-K199 HydrophobicContact CG-CG 4.32Å; E193-K199 WeakPolarHBondContact OE1-CE 3.12Å; E193-K199 IonicContact OE1-NZ 2.68Å; E193-K199 PolarHBondContact OE1-NZ 2.77Å |
| 194 | T | 76.6 | Confident | 84 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 163.1 | -179.6 | 80.9 | 0 | 0 | 0 | 0 | 111.1 | E196 G197 E198 W200 | T194-E196 WeakPolarHBondContact CB-OE2 3.22Å; T194-E196 PolarHBondContact O-N 3.4Å; T194-E196 VanDerWaalsContact O-N 3.1Å; T194-E196 PolarHBondContact OG1-N 3.25Å; T194-E196 PolarHBondContact OG1-OE2 3.4Å; T194-G197 PolarHBondContact O-N 2.61Å; T194-E198 HydrophobicContact CG2-CB 3.92Å; T194-E198 PolarHBondContact N-O 3.5Å; T194-E198 PolarHBondContact OG1-N 2.72Å; T194-W200 HydrophobicContact CG2-CD2 3.98Å; T194-W200 HydrophobicContact CG2-CE3 4.39Å; T194-W200 HydrophobicContact CG2-CG 4.46Å; T194-W200 HydrophobicContact CG2-CH2 4.27Å; T194-W200 HydrophobicContact CG2-CZ2 3.84Å |
| 195 | P | 72.4 | Confident | 84.4 | Confident | 128 Ų | 128 | 52.2 Ų | 52.2 | 83% | 0.831 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.5 | 175.1 | -24.6 | 35 | 0 | 0 | 0 | 114.4 | ||
| 196 | E | 67.4 | Low | 84.6 | Confident | 139 Ų | 139 | 53.4 Ų | 53.4 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8 | 178.6 | -51.6 | 71 | -149.4 | 0 | 0 | 112.7 | T194 | T194-E196 WeakPolarHBondContact CB-OE2 3.22Å; T194-E196 PolarHBondContact O-N 3.4Å; T194-E196 VanDerWaalsContact O-N 3.1Å; T194-E196 PolarHBondContact OG1-N 3.25Å; T194-E196 PolarHBondContact OG1-OE2 3.4Å |
| 197 | G | 70.3 | Confident | 84.8 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | trans | 91.1 | 6.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T194 | T194-G197 PolarHBondContact O-N 2.61Š| ||
| 198 | E | 77.2 | Confident | 84.7 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 51% | 0.505 | 33% | 0.33 | S | S | . | . | trans | -68.9 | 144.6 | 171.9 | -68.1 | -167.6 | -171.7 | 0 | 0 | 110.9 | E193 T194 W200 | E193-E198 CarbonylContact C-O 3.59Å; E193-E198 VanDerWaalsContact CA-O 3.29Å; E193-E198 WeakPolarHBondContact CA-O 3.45Å; T194-E198 HydrophobicContact CG2-CB 3.92Å; T194-E198 PolarHBondContact N-O 3.5Å; T194-E198 PolarHBondContact OG1-N 2.72Å; E198-W200 PolarHBondContact OE2-NE1 2.78Å | ||
| 199 | K | 82.4 | Confident | 84.8 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 112 | -178.9 | -63.5 | 176.6 | -159 | -100.4 | 0 | 110.1 | V175 H176 Y178 I191 E193 | V175-K199 WeakPolarHBondContact O-CE 3.08Å; H176-K199 VanDerWaalsContact O-CD 3.27Å; H176-K199 WeakPolarHBondContact O-CD 3.39Å; H176-K199 VanDerWaalsContact O-CE 3.25Å; H176-K199 WeakPolarHBondContact O-CE 3.26Å; H176-K199 PolarHBondContact O-NZ 3.01Å; Y178-K199 HydrophobicContact CD2-CB 4.41Å; Y178-K199 HydrophobicContact CE2-CB 3.84Å; Y178-K199 WeakPolarHBondContact CE2-O 3.18Å; Y178-K199 PolarHBondContact OH-O 3.47Å; Y178-K199 VanDerWaalsContact OH-O 3.13Å; I191-K199 HydrophobicContact CG2-CB 3.81Å; I191-K199 HydrophobicContact CG2-CG 4.3Å; E193-K199 HydrophobicContact CG-CG 4.32Å; E193-K199 WeakPolarHBondContact OE1-CE 3.12Å; E193-K199 IonicContact OE1-NZ 2.68Å; E193-K199 PolarHBondContact OE1-NZ 2.77Å |
| 200 | W | 86.4 | Confident | 84.8 | Confident | 124 Ų | 124 | 64.4 Ų | 64.4 | 47% | 0.47 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 111.3 | -176.6 | -64.6 | -2.5 | 0 | 0 | 0 | 110.8 | V192 T194 E198 | V192-W200 PolarHBondContact N-O 3.46Å; V192-W200 PolarHBondContact O-N 3.4Å; T194-W200 HydrophobicContact CG2-CD2 3.98Å; T194-W200 HydrophobicContact CG2-CE3 4.39Å; T194-W200 HydrophobicContact CG2-CG 4.46Å; T194-W200 HydrophobicContact CG2-CH2 4.27Å; T194-W200 HydrophobicContact CG2-CZ2 3.84Å; E198-W200 PolarHBondContact OE2-NE1 2.78Å |
| 201 | P | 90 | Very high | 84.9 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.013 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 138.1 | -179.6 | 26.8 | -30.5 | 0 | 0 | 0 | 112.5 | I162 Y178 L189 D190 I221 | I162-P201 HydrophobicContact CB-CB 4.13Å; I162-P201 HydrophobicContact CB-CG 3.98Å; I162-P201 WeakPolarHBondContact CB-O 3.16Å; I162-P201 HydrophobicContact CD1-CB 4.42Å; I162-P201 HydrophobicContact CG2-CG 4.19Å; I162-P201 PolarHBondContact N-O 2.7Å; Y178-P201 HydrophobicContact CD1-CB 4.31Å; Y178-P201 HydrophobicContact CD1-CG 4.11Å; Y178-P201 HydrophobicContact CD2-CB 4.44Å; Y178-P201 HydrophobicContact CE1-CG 3.84Å; Y178-P201 HydrophobicContact CE2-CG 4.31Å; Y178-P201 HydrophobicContact CG-CB 4.26Å; Y178-P201 HydrophobicContact CG-CG 4.44Å; L189-P201 HydrophobicContact CD1-CB 3.94Å; D190-P201 WeakPolarHBondContact O-CA 3.14Å; P201-I221 HydrophobicContact CB-CD1 4.04Å; P201-I221 HydrophobicContact CG-CD1 4.35Å |
| 202 | Q | 90.9 | Very high | 85.1 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 132.1 | 174.2 | -63.5 | -174.4 | -3.8 | 0 | 0 | 110.4 | F160 D190 V192 | F160-Q202 CarbonylContact O-C 3.5Å; F160-Q202 WeakPolarHBondContact O-CA 3.48Å; D190-Q202 PolarHBondContact N-O 3.02Å; D190-Q202 PolarHBondContact O-N 2.75Å; V192-Q202 HydrophobicContact CG2-CG 4.34Å |
| 203 | L | 91.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.5 | 170 | -160.7 | 69.7 | 0 | 0 | 0 | 109.2 | I148 I150 R159 F160 I162 F187 M219 L237 V239 | I148-L203 HydrophobicContact CD1-CD2 4.45Å; I150-L203 HydrophobicContact CD1-CD2 4.17Å; R159-L203 CarbonylContact C-O 3.45Å; R159-L203 WeakPolarHBondContact CA-O 3.27Å; F160-L203 HydrophobicContact CB-CB 4.39Å; F160-L203 PolarHBondContact N-O 2.74Å; F160-L203 PolarHBondContact O-N 2.71Å; I162-L203 HydrophobicContact CD1-CB 4.03Å; I162-L203 HydrophobicContact CD1-CD1 4.34Å; I162-L203 HydrophobicContact CG1-CB 4.2Å; F187-L203 HydrophobicContact CB-CD1 3.93Å; F187-L203 HydrophobicContact CB-CD2 4.45Å; F187-L203 HydrophobicContact CB-CG 4.22Å; F187-L203 HydrophobicContact CD1-CD2 3.68Å; F187-L203 HydrophobicContact CD1-CG 3.99Å; F187-L203 HydrophobicContact CE1-CD2 4.2Å; F187-L203 HydrophobicContact CG-CD2 4.16Å; F187-L203 HydrophobicContact CG-CG 4.39Å; L203-M219 HydrophobicContact CD1-CE 4.44Å; L203-L237 HydrophobicContact CD1-CD2 3.75Å; L203-L237 HydrophobicContact CD2-CD2 4.34Å; L203-V239 HydrophobicContact CD2-CG2 3.62Å |
| 204 | I | 91.4 | Very high | 85.5 | Confident | 18 Ų | 18 | 66 Ų | 66 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130 | 173.5 | -67.5 | -171.3 | 0 | 0 | 0 | 109.8 | S158 R159 F187 G188 D190 Q206 | S158-I204 WeakPolarHBondContact O-CA 3.23Å; R159-I204 HydrophobicContact CG-CD1 4.44Å; R159-I204 HydrophobicContact CG-CG1 3.99Å; F187-I204 CarbonylContact C-O 3.55Å; F187-I204 WeakPolarHBondContact CA-O 3.22Å; G188-I204 PolarHBondContact N-O 3.48Å; G188-I204 PolarHBondContact O-N 3.44Å; D190-I204 HydrophobicContact CB-CD1 3.53Å; D190-I204 HydrophobicContact CB-CG1 3.96Å; I204-Q206 HydrophobicContact CG2-CG 4.1Å; I204-Q206 PolarHBondContact O-N 3.28Å |
| 205 | V | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 116.8 | 167.2 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | I150 T154 N157 S158 F160 F187 Q207 L209 | I150-V205 HydrophobicContact CD1-CG2 4.37Å; I150-V205 HydrophobicContact CG2-CG2 4.28Å; T154-V205 HydrophobicContact CG2-CB 4.36Å; T154-V205 HydrophobicContact CG2-CG2 3.84Å; N157-V205 PolarHBondContact N-O 3.24Å; S158-V205 PolarHBondContact O-N 2.87Å; F160-V205 HydrophobicContact CD2-CG2 4.29Å; F160-V205 HydrophobicContact CE2-CG2 3.82Å; F187-V205 HydrophobicContact CD1-CG2 4.41Å; F187-V205 HydrophobicContact CE1-CG2 4.09Å; V205-Q207 WeakPolarHBondContact CG1-O 3.22Å; V205-L209 HydrophobicContact CG1-CD1 4.33Å; V205-L209 HydrophobicContact CG1-CG 4.22Å |
| 206 | Q | 89.2 | Confident | 86.9 | Confident | 105 Ų | 105 | 65.3 Ų | 65.3 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | trans | -105.7 | -16.9 | -174.7 | -73.5 | -169.8 | -23.1 | 0 | 0 | 114.4 | A186 I204 | A186-Q206 PolarHBondContact O-N 3.36Å; I204-Q206 HydrophobicContact CG2-CG 4.1Å; I204-Q206 PolarHBondContact O-N 3.28Å | ||
| 207 | Q | 89.9 | Confident | 88 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -134.3 | 159.9 | 175.5 | -61.6 | 178 | -36.2 | 0 | 0 | 108.5 | S185 A186 V205 | S185-Q207 VanDerWaalsContact C-OE1 3.23Å; S185-Q207 VanDerWaalsContact O-CD 3.24Å; S185-Q207 WeakPolarHBondContact O-CG 3.39Å; S185-Q207 PolarHBondContact O-OE1 2.86Å; S185-Q207 PolarHBondContact OG-OE1 3.37Å; A186-Q207 HydrophobicContact CB-CB 4.41Å; V205-Q207 WeakPolarHBondContact CG1-O 3.22Å |
| 208 | N | 88.5 | Confident | 88.9 | Confident | 130 Ų | 130 | 61.6 Ų | 61.6 | 70% | 0.695 | 30% | 0.298 | S | S | * | . | trans | -54.1 | 141.3 | 165.3 | -74.3 | 67.1 | 0 | 0 | 0 | 109.7 | ||||
| 209 | L | 91.1 | Very high | 89.5 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | trans | -97.4 | 155 | 170.9 | -59 | 176.4 | 0 | 0 | 0 | 108.7 | I150 E152 A186 F187 V205 V241 | I150-L209 HydrophobicContact CB-CD1 4.31Å; I150-L209 HydrophobicContact CG2-CD1 3.56Å; E152-L209 HydrophobicContact CB-CB 4.06Å; A186-L209 HydrophobicContact CB-CD2 3.88Å; F187-L209 HydrophobicContact CE1-CD1 4.15Å; F187-L209 HydrophobicContact CE1-CD2 4.15Å; F187-L209 HydrophobicContact CE2-CD2 4.12Å; F187-L209 HydrophobicContact CZ-CD1 3.97Å; F187-L209 HydrophobicContact CZ-CD2 3.56Å; F187-L209 HydrophobicContact CZ-CG 4.43Å; V205-L209 HydrophobicContact CG1-CD1 4.33Å; V205-L209 HydrophobicContact CG1-CG 4.22Å; L209-V241 HydrophobicContact CB-CG1 4.34Å; L209-V241 HydrophobicContact CD1-CG2 4.49Å | ||
| 210 | D | 90.3 | Very high | 89.9 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | trans | -157 | 107 | -172.6 | 169.7 | -21.4 | 0 | 0 | 0 | 105.3 | E212 Q213 K214 | D210-E212 PolarHBondContact OD1-N 3.4Å; D210-Q213 HydrophobicContact CB-CB 4.1Å; D210-Q213 WeakPolarHBondContact OD1-CB 3.06Å; D210-Q213 PolarHBondContact OD1-N 3.44Å; D210-Q213 WeakPolarHBondContact OD2-CB 3.42Å; D210-K214 PolarHBondContact O-N 3.39Å | ||
| 211 | R | 92.1 | Very high | 90.1 | Very high | 32 Ų | 32 | 53 Ų | 53 | 12% | 0.121 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -35.7 | -172.3 | -173.6 | -148.9 | 63.9 | 77.6 | -7.1 | 111.1 | E152 Q213 K214 D215 V241 D243 A278 | E152-R211 WeakPolarHBondContact OE2-CA 3.37Å; E152-R211 WeakPolarHBondContact OE2-CB 3.06Å; E152-R211 PolarHBondContact OE2-N 2.72Å; R211-Q213 PolarHBondContact O-N 2.7Å; R211-K214 CarbonylContact O-C 3.57Å; R211-K214 PolarHBondContact O-N 2.77Å; R211-D215 HydrophobicContact CG-CB 3.9Å; R211-D215 PolarHBondContact O-N 3.36Å; R211-V241 HydrophobicContact CB-CB 4.37Å; R211-V241 HydrophobicContact CB-CG1 3.91Å; R211-V241 HydrophobicContact CG-CB 4.4Å; R211-V241 HydrophobicContact CG-CG1 4.38Å; R211-D243 IonicContact CZ-OD1 3.5Å; R211-D243 IonicContact NE-OD1 2.63Å; R211-D243 PolarHBondContact NE-OD1 3.37Å; R211-D243 IonicContact NH2-OD1 2.7Å; R211-D243 PolarHBondContact NH2-OD1 2.96Å; R211-A278 PolarHBondContact NH2-O 3.04Å |
| 212 | E | 90.1 | Very high | 90.1 | Very high | 63 Ų | 63 | 55.1 Ų | 55.1 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35.4 | 175.5 | -69.8 | 61.1 | -129.4 | 0 | 0 | 110.9 | D210 A278 | D210-E212 PolarHBondContact OD1-N 3.4Å; E212-A278 HydrophobicContact CG-CB 3.81Å |
| 213 | Q | 88.9 | Confident | 90.1 | Very high | 154 Ų | 154 | 53.1 Ų | 53.1 | 72% | 0.72 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -45.2 | 169.8 | -175.8 | 172.9 | 112.9 | 0 | 0 | 112.5 | D210 R211 | D210-Q213 HydrophobicContact CB-CB 4.1Å; D210-Q213 WeakPolarHBondContact OD1-CB 3.06Å; D210-Q213 PolarHBondContact OD1-N 3.44Å; D210-Q213 WeakPolarHBondContact OD2-CB 3.42Å; R211-Q213 PolarHBondContact O-N 2.7Å |
| 214 | K | 87.1 | Confident | 90 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | trans | -160.6 | 103.8 | -178.6 | -172.4 | 172 | 169.3 | -170.9 | 0 | 114.5 | D210 R211 T216 Y217 | D210-K214 PolarHBondContact O-N 3.39Å; R211-K214 CarbonylContact O-C 3.57Å; R211-K214 PolarHBondContact O-N 2.77Å; K214-T216 WeakPolarHBondContact CE-O 3.49Å; K214-T216 PolarHBondContact O-N 3.4Å; K214-Y217 HydrophobicContact CB-CE2 4.23Å; K214-Y217 HydrophobicContact CD-CD1 4.18Å; K214-Y217 HydrophobicContact CD-CE1 3.7Å; K214-Y217 HydrophobicContact CD-CE2 4.06Å; K214-Y217 HydrophobicContact CG-CD2 4.41Å; K214-Y217 HydrophobicContact CG-CE1 4.42Å; K214-Y217 HydrophobicContact CG-CE2 3.88Å; K214-Y217 VanDerWaalsContact NZ-CD1 3.35Å; K214-Y217 WeakPolarHBondContact O-CE2 3.17Å | ||
| 215 | D | 88 | Confident | 89.8 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -68.6 | -26.8 | 179 | 65.3 | 19.1 | 0 | 0 | 0 | 116.2 | R211 V241 | R211-D215 HydrophobicContact CG-CB 3.9Å; R211-D215 PolarHBondContact O-N 3.36Å; D215-V241 WeakPolarHBondContact O-CB 3.17Å; D215-V241 PolarHBondContact O-N 2.72Å |
| 216 | T | 90.6 | Very high | 89.4 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.1 | -165.8 | -49.9 | 0 | 0 | 0 | 0 | 112.9 | K214 V218 Q238 | K214-T216 WeakPolarHBondContact CE-O 3.49Å; K214-T216 PolarHBondContact O-N 3.4Å; T216-V218 HydrophobicContact CG2-CG2 4.22Å; T216-Q238 HydrophobicContact CG2-CG 4.24Å |
| 217 | Y | 90.3 | Very high | 89 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 8% | 0.078 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 115.7 | 177 | -62.1 | -110.6 | 0 | 0 | 0 | 109.8 | Q184 A186 F187 K214 V239 V241 | Q184-Y217 HydrophobicContact CB-CD1 3.96Å; Q184-Y217 HydrophobicContact CG-CD1 3.96Å; A186-Y217 HydrophobicContact CB-CE1 4.05Å; F187-Y217 HydrophobicContact CD2-CD1 4.23Å; F187-Y217 HydrophobicContact CD2-CG 4.29Å; F187-Y217 AromaticContact CE2-CD1 3.82Å; F187-Y217 HydrophobicContact CE2-CD1 3.82Å; F187-Y217 AromaticContact CE2-CD2 3.84Å; F187-Y217 HydrophobicContact CE2-CD2 3.84Å; F187-Y217 HydrophobicContact CE2-CE1 4.26Å; F187-Y217 HydrophobicContact CE2-CE2 4.3Å; F187-Y217 AromaticContact CE2-CG 3.6Å; F187-Y217 HydrophobicContact CE2-CG 3.6Å; F187-Y217 HydrophobicContact CZ-CD2 4.48Å; K214-Y217 HydrophobicContact CB-CE2 4.23Å; K214-Y217 HydrophobicContact CD-CD1 4.18Å; K214-Y217 HydrophobicContact CD-CE1 3.7Å; K214-Y217 HydrophobicContact CD-CE2 4.06Å; K214-Y217 HydrophobicContact CG-CD2 4.41Å; K214-Y217 HydrophobicContact CG-CE1 4.42Å; K214-Y217 HydrophobicContact CG-CE2 3.88Å; K214-Y217 VanDerWaalsContact NZ-CD1 3.35Å; K214-Y217 WeakPolarHBondContact O-CE2 3.17Å; Y217-V239 PolarHBondContact N-O 2.72Å; Y217-V239 PolarHBondContact O-N 3.5Å; Y217-V241 HydrophobicContact CD2-CG2 4.08Å; Y217-V241 HydrophobicContact CE2-CG2 3.76Å |
| 218 | V | 89.3 | Confident | 88.4 | Confident | 86 Ų | 86 | 51 Ų | 51 | 52% | 0.521 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | T216 I236 Q238 | T216-V218 HydrophobicContact CG2-CG2 4.22Å; V218-I236 HydrophobicContact CG1-CG2 3.84Å; V218-Q238 HydrophobicContact CG2-CG 4.35Å |
| 219 | M | 90.8 | Very high | 88.1 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 177.2 | -178.7 | -63.8 | 175.2 | -71.8 | 0 | 0 | 109.4 | L180 Q184 F187 L203 L237 V239 | L180-M219 HydrophobicContact CD1-CB 4.04Å; L180-M219 HydrophobicContact CD1-SD 4.46Å; L180-M219 HydrophobicContact CD2-SD 3.87Å; L180-M219 HydrophobicContact CG-SD 4.4Å; Q184-M219 HydrophobicContact CB-SD 3.97Å; Q184-M219 HydrophobicContact CG-CG 3.71Å; Q184-M219 HydrophobicContact CG-SD 3.74Å; F187-M219 HydrophobicContact CB-CE 3.92Å; F187-M219 HydrophobicContact CB-SD 4.08Å; F187-M219 HydrophobicContact CD2-CE 3.67Å; F187-M219 HydrophobicContact CD2-SD 4.22Å; F187-M219 HydrophobicContact CE2-CE 4.46Å; F187-M219 HydrophobicContact CG-CE 3.93Å; L203-M219 HydrophobicContact CD1-CE 4.44Å; M219-L237 HydrophobicContact CB-CB 4.42Å; M219-L237 HydrophobicContact CE-CD2 4.23Å; M219-L237 PolarHBondContact N-O 2.67Å; M219-L237 PolarHBondContact O-N 3.39Å; M219-V239 HydrophobicContact CE-CG2 3.66Å |
| 220 | K | 89.6 | Confident | 87.8 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131 | 170 | -72.5 | -177.3 | 179 | -174.6 | 0 | 110 | L180 I181 A235 I236 | L180-K220 CarbonylContact C-O 3.59Å; I181-K220 WeakPolarHBondContact CA-O 3.24Å; I181-K220 HydrophobicContact CB-CB 4.06Å; I181-K220 HydrophobicContact CG2-CB 4.49Å; I181-K220 PolarHBondContact N-O 3.08Å; I181-K220 PolarHBondContact O-N 2.79Å; I181-K220 VanDerWaalsContact O-O 3.12Å; K220-A235 CarbonylContact C-O 3.49Å; K220-A235 VanDerWaalsContact CA-O 3.3Å; K220-A235 WeakPolarHBondContact CA-O 3.21Å; K220-I236 HydrophobicContact CG-CG1 4.36Å |
| 221 | I | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 130.6 | 169.5 | -169.2 | 174.5 | 0 | 0 | 0 | 108.9 | F141 I146 I162 Y178 L189 P201 T234 A235 | F141-I221 HydrophobicContact CE1-CD1 4.18Å; F141-I221 HydrophobicContact CE1-CG1 4.45Å; F141-I221 HydrophobicContact CE1-CG2 3.89Å; F141-I221 HydrophobicContact CE2-CG2 4.03Å; F141-I221 HydrophobicContact CZ-CB 4.25Å; F141-I221 HydrophobicContact CZ-CD1 4.11Å; F141-I221 HydrophobicContact CZ-CG1 3.91Å; F141-I221 HydrophobicContact CZ-CG2 3.58Å; I146-I221 HydrophobicContact CD1-CG2 4.26Å; I162-I221 HydrophobicContact CD1-CD1 4.04Å; I162-I221 HydrophobicContact CG2-CD1 4.07Å; Y178-I221 HydrophobicContact CD1-CD1 4.06Å; Y178-I221 HydrophobicContact CD1-CG1 4.48Å; L189-I221 HydrophobicContact CD1-CD1 4.07Å; L189-I221 HydrophobicContact CD2-CD1 4.32Å; L189-I221 HydrophobicContact CD2-CG1 4.47Å; P201-I221 HydrophobicContact CB-CD1 4.04Å; P201-I221 HydrophobicContact CG-CD1 4.35Å; I221-T234 CarbonylContact O-C 3.43Å; I221-T234 WeakPolarHBondContact O-CA 3.3Å; I221-A235 HydrophobicContact CG2-CB 4.03Å; I221-A235 PolarHBondContact N-O 2.73Å; I221-A235 PolarHBondContact O-N 2.63Å |
| 222 | K | 90.3 | Very high | 87.4 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 20% | 0.204 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 145.9 | 171.2 | -167.4 | -171.8 | -172.3 | -172.9 | 0 | 108.8 | Y178 E179 I181 E224 S232 S233 T234 | Y178-K222 CarbonylContact C-O 3.56Å; Y178-K222 VanDerWaalsContact CA-O 3.3Å; Y178-K222 WeakPolarHBondContact CA-O 3.45Å; E179-K222 HydrophobicContact CB-CB 4.49Å; E179-K222 PolarHBondContact N-O 2.97Å; E179-K222 PolarHBondContact O-N 2.64Å; I181-K222 HydrophobicContact CD1-CB 3.86Å; I181-K222 HydrophobicContact CD1-CD 4.21Å; I181-K222 HydrophobicContact CD1-CG 4.31Å; I181-K222 HydrophobicContact CG1-CB 4.17Å; K222-E224 HydrophobicContact CD-CG 3.88Å; K222-E224 VanDerWaalsContact CE-OE1 3.31Å; K222-E224 WeakPolarHBondContact CE-OE1 3.1Å; K222-E224 HydrophobicContact CG-CG 4.23Å; K222-E224 IonicContact NZ-OE1 2.72Å; K222-E224 PolarHBondContact NZ-OE1 2.99Å; K222-S232 VanDerWaalsContact CE-OG 3.23Å; K222-S232 WeakPolarHBondContact CE-OG 3.17Å; K222-S233 WeakPolarHBondContact CA-O 3.49Å; K222-T234 HydrophobicContact CB-CG2 4.07Å; K222-T234 HydrophobicContact CG-CG2 3.95Å |
| 223 | V | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.2 | 163.8 | 62.1 | 0 | 0 | 0 | 0 | 109.5 | P139 F141 A165 V175 K177 Y178 S232 S233 | P139-V223 HydrophobicContact CB-CB 4.45Å; P139-V223 HydrophobicContact CB-CG1 3.83Å; P139-V223 HydrophobicContact CB-CG2 3.83Å; P139-V223 HydrophobicContact CG-CG1 3.96Å; P139-V223 HydrophobicContact CG-CG2 4.12Å; P139-V223 WeakPolarHBondContact O-CG1 3.2Å; F141-V223 HydrophobicContact CD2-CG1 4.08Å; F141-V223 HydrophobicContact CE2-CB 3.94Å; F141-V223 HydrophobicContact CE2-CG1 3.51Å; F141-V223 HydrophobicContact CZ-CB 3.82Å; F141-V223 HydrophobicContact CZ-CG1 3.87Å; A165-V223 HydrophobicContact CB-CB 4.13Å; A165-V223 HydrophobicContact CB-CG1 3.72Å; A165-V223 HydrophobicContact CB-CG2 4Å; V175-V223 HydrophobicContact CG1-CG2 3.74Å; K177-V223 CarbonylContact O-C 3.56Å; K177-V223 WeakPolarHBondContact O-CA 3.1Å; Y178-V223 HydrophobicContact CD1-CB 3.77Å; Y178-V223 HydrophobicContact CD1-CG2 3.83Å; Y178-V223 HydrophobicContact CE1-CB 3.82Å; Y178-V223 HydrophobicContact CE1-CG2 3.63Å; Y178-V223 HydrophobicContact CG-CG2 4.42Å; V223-S232 CarbonylContact O-C 3.58Å; V223-S232 WeakPolarHBondContact O-CA 3.38Å; V223-S232 WeakPolarHBondContact O-CB 3.13Å; V223-S233 WeakPolarHBondContact CG1-OG 3.18Å; V223-S233 PolarHBondContact N-O 2.73Å; V223-S233 PolarHBondContact O-N 3.41Å; V223-S233 VanDerWaalsContact O-N 3.13Å |
| 224 | E | 90.1 | Very high | 87.5 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.5 | -177.9 | -57.8 | 177.7 | 132.1 | 0 | 0 | 110 | H176 K177 K222 K231 | H176-E224 PolarHBondContact N-O 3.41Å; K177-E224 HydrophobicContact CB-CB 4.48Å; K177-E224 WeakPolarHBondContact CD-OE2 3.27Å; K177-E224 PolarHBondContact N-O 3.08Å; K177-E224 IonicContact NZ-OE2 3.57Å; K177-E224 PolarHBondContact NZ-OE2 3.43Å; K177-E224 PolarHBondContact O-N 2.78Å; K222-E224 HydrophobicContact CD-CG 3.88Å; K222-E224 VanDerWaalsContact CE-OE1 3.31Å; K222-E224 WeakPolarHBondContact CE-OE1 3.1Å; K222-E224 HydrophobicContact CG-CG 4.23Å; K222-E224 IonicContact NZ-OE1 2.72Å; K222-E224 PolarHBondContact NZ-OE1 2.99Å; E224-K231 WeakPolarHBondContact CA-O 3.44Å |
| 225 | D | 86.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 170.6 | 168.2 | 70.1 | 59.7 | 0 | 0 | 0 | 111.5 | N135 P139 N173 S174 H176 G227 Q230 K231 | N135-D225 PolarHBondContact ND2-OD1 2.88Å; N135-D225 PolarHBondContact ND2-OD2 3.45Å; P139-D225 HydrophobicContact CG-CB 4.34Å; N173-D225 WeakPolarHBondContact O-CB 3.41Å; S174-D225 WeakPolarHBondContact O-CA 3.34Å; H176-D225 VanDerWaalsContact CB-C 3.47Å; D225-G227 WeakPolarHBondContact OD1-CA 3.22Å; D225-G227 PolarHBondContact OD1-N 2.75Å; D225-Q230 PolarHBondContact O-NE2 3.15Å; D225-Q230 WeakPolarHBondContact OD1-CA 3.18Å; D225-K231 PolarHBondContact N-O 3.45Å; D225-K231 VanDerWaalsContact N-O 3.17Å; D225-K231 PolarHBondContact OD1-N 3.48Å; D225-K231 WeakPolarHBondContact OD2-CA 3.21Å; D225-K231 WeakPolarHBondContact OD2-CB 3.43Å; D225-K231 PolarHBondContact OD2-N 2.68Å |
| 226 | G | 82.1 | Confident | 87.7 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 25% | 0.247 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -99.6 | 10.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P172 S174 H176 | P172-G226 CarbonylContact O-C 3.55Å; P172-G226 WeakPolarHBondContact O-CA 3.42Å; P172-G226 PolarHBondContact O-N 3.15Å; S174-G226 PolarHBondContact O-N 2.55Å; H176-G226 VanDerWaalsContact CB-N 3.29Å |
| 227 | G | 80.1 | Confident | 87.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -75 | -171.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | N173 D225 P229 Q230 | N173-G227 WeakPolarHBondContact OD1-CA 3.19Å; D225-G227 WeakPolarHBondContact OD1-CA 3.22Å; D225-G227 PolarHBondContact OD1-N 2.75Å; G227-P229 CarbonylContact C-O 3.59Å; G227-Q230 WeakPolarHBondContact O-CG 2.96Å |
| 228 | S | 77.9 | Confident | 87.8 | Confident | 117 Ų | 117 | 46.4 Ų | 46.4 | 82% | 0.818 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -149 | 102.6 | -179.5 | -77.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 229 | P | 81.6 | Confident | 87.8 | Confident | 109 Ų | 109 | 42.3 Ų | 42.3 | 71% | 0.708 | 24% | 0.24 | S | C | * | . | S | Bend | cis | -66.2 | 152.2 | 2.3 | 30.3 | -36.7 | 0 | 0 | 0 | 112.9 | N135 G227 | N135-P229 PolarHBondContact ND2-O 2.9Å; G227-P229 CarbonylContact C-O 3.59Å |
| 230 | Q | 84.8 | Confident | 87.8 | Confident | 113 Ų | 113 | 44.9 Ų | 44.9 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | trans | -75.7 | 142.1 | 170 | -62.6 | 179.1 | -86 | 0 | 0 | 110.6 | D225 G227 | D225-Q230 PolarHBondContact O-NE2 3.15Å; D225-Q230 WeakPolarHBondContact OD1-CA 3.18Å; G227-Q230 WeakPolarHBondContact O-CG 2.96Å | ||
| 231 | K | 86.3 | Confident | 87.9 | Confident | 58 Ų | 58 | 40.7 Ų | 40.7 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | trans | -110.9 | 165.8 | 167.8 | -42.2 | -167.1 | -151 | 67.3 | 0 | 109.4 | N135 D136 N137 A138 E224 D225 | N135-K231 PolarHBondContact ND2-NZ 2.7Å; N135-K231 PolarHBondContact O-NZ 2.71Å; N135-K231 PolarHBondContact OD1-NZ 3.27Å; D136-K231 VanDerWaalsContact C-NZ 3.3Å; D136-K231 VanDerWaalsContact N-NZ 3.11Å; D136-K231 WeakPolarHBondContact O-CE 3.43Å; D136-K231 PolarHBondContact O-NZ 2.76Å; N137-K231 WeakPolarHBondContact O-CD 3.12Å; N137-K231 VanDerWaalsContact O-CE 3.26Å; N137-K231 WeakPolarHBondContact O-CE 3.03Å; N137-K231 PolarHBondContact O-NZ 3.37Å; A138-K231 HydrophobicContact CB-CB 3.88Å; A138-K231 HydrophobicContact CB-CD 4.23Å; E224-K231 WeakPolarHBondContact CA-O 3.44Å; D225-K231 PolarHBondContact N-O 3.45Å; D225-K231 VanDerWaalsContact N-O 3.17Å; D225-K231 PolarHBondContact OD1-N 3.48Å; D225-K231 WeakPolarHBondContact OD2-CA 3.21Å; D225-K231 WeakPolarHBondContact OD2-CB 3.43Å; D225-K231 PolarHBondContact OD2-N 2.68Å | ||
| 232 | S | 88.8 | Confident | 87.9 | Confident | 58 Ų | 58 | 43.1 Ų | 43.1 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 147.6 | -174.1 | 66.8 | 0 | 0 | 0 | 0 | 113 | K222 V223 | K222-S232 VanDerWaalsContact CE-OG 3.23Å; K222-S232 WeakPolarHBondContact CE-OG 3.17Å; V223-S232 CarbonylContact O-C 3.58Å; V223-S232 WeakPolarHBondContact O-CA 3.38Å; V223-S232 WeakPolarHBondContact O-CB 3.13Å |
| 233 | S | 89.7 | Confident | 87.9 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 169.1 | 168 | 78.2 | 0 | 0 | 0 | 0 | 112.1 | P139 K222 V223 | P139-S233 WeakPolarHBondContact O-CB 3.18Å; P139-S233 PolarHBondContact O-OG 2.7Å; K222-S233 WeakPolarHBondContact CA-O 3.49Å; V223-S233 WeakPolarHBondContact CG1-OG 3.18Å; V223-S233 PolarHBondContact N-O 2.73Å; V223-S233 PolarHBondContact O-N 3.41Å; V223-S233 VanDerWaalsContact O-N 3.13Å |
| 234 | T | 90.4 | Very high | 87.8 | Confident | 75 Ų | 75 | 44 Ų | 44 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.2 | 176.6 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | I181 I221 K222 | I181-T234 HydrophobicContact CD1-CG2 4.04Å; I221-T234 CarbonylContact O-C 3.43Å; I221-T234 WeakPolarHBondContact O-CA 3.3Å; K222-T234 HydrophobicContact CB-CG2 4.07Å; K222-T234 HydrophobicContact CG-CG2 3.95Å |
| 235 | A | 90.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 152.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F141 I146 K220 I221 | F141-A235 HydrophobicContact CB-CB 4.14Å; F141-A235 HydrophobicContact CD2-CB 3.75Å; F141-A235 HydrophobicContact CE2-CB 4.3Å; F141-A235 HydrophobicContact CG-CB 3.91Å; I146-A235 HydrophobicContact CD1-CB 3.93Å; I146-A235 HydrophobicContact CG1-CB 4.26Å; K220-A235 CarbonylContact C-O 3.49Å; K220-A235 VanDerWaalsContact CA-O 3.3Å; K220-A235 WeakPolarHBondContact CA-O 3.21Å; I221-A235 HydrophobicContact CG2-CB 4.03Å; I221-A235 PolarHBondContact N-O 2.73Å; I221-A235 PolarHBondContact O-N 2.63Å |
| 236 | I | 90.4 | Very high | 87.6 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 32% | 0.323 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 126.8 | 168.7 | -64.5 | 167.8 | 0 | 0 | 0 | 107.9 | P144 V145 I146 V218 K220 | P144-I236 PolarHBondContact O-N 2.69Å; V145-I236 CarbonylContact C-O 3.58Å; V145-I236 WeakPolarHBondContact CA-O 3.24Å; V145-I236 HydrophobicContact CG1-CB 4.46Å; V145-I236 HydrophobicContact CG1-CG2 4.46Å; V145-I236 HydrophobicContact CG2-CB 4.37Å; V145-I236 HydrophobicContact CG2-CD1 4.48Å; I146-I236 PolarHBondContact N-O 2.87Å; V218-I236 HydrophobicContact CG1-CG2 3.84Å; K220-I236 HydrophobicContact CG-CG1 4.36Å |
| 237 | L | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 106.5 | 173.2 | -179.2 | 64.1 | 0 | 0 | 0 | 108.2 | I146 I148 I162 L180 L203 M219 V239 | I146-L237 HydrophobicContact CB-CD1 4Å; I146-L237 HydrophobicContact CG2-CD1 3.8Å; I148-L237 HydrophobicContact CD1-CD1 3.82Å; I148-L237 HydrophobicContact CG1-CD1 4.06Å; I162-L237 HydrophobicContact CD1-CD2 4.04Å; L180-L237 HydrophobicContact CD1-CD2 4.02Å; L203-L237 HydrophobicContact CD1-CD2 3.75Å; L203-L237 HydrophobicContact CD2-CD2 4.34Å; M219-L237 HydrophobicContact CB-CB 4.42Å; M219-L237 HydrophobicContact CE-CD2 4.23Å; M219-L237 PolarHBondContact N-O 2.67Å; M219-L237 PolarHBondContact O-N 3.39Å; L237-V239 HydrophobicContact CG-CG2 4.34Å |
| 238 | Q | 91.3 | Very high | 88.2 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116 | 176.1 | 178.2 | 168.4 | -19.6 | 0 | 0 | 109.2 | I146 N147 I148 T216 V218 | I146-Q238 PolarHBondContact O-N 2.98Å; N147-Q238 WeakPolarHBondContact CA-O 3.1Å; I148-Q238 PolarHBondContact N-O 3.08Å; T216-Q238 HydrophobicContact CG2-CG 4.24Å; V218-Q238 HydrophobicContact CG2-CG 4.35Å |
| 239 | V | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.2 | 173.8 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | I148 I150 F187 L203 Y217 M219 L237 | I148-V239 WeakPolarHBondContact O-CA 3.07Å; I150-V239 HydrophobicContact CB-CG1 4.4Å; I150-V239 HydrophobicContact CD1-CG1 3.69Å; I150-V239 HydrophobicContact CG1-CG1 3.99Å; F187-V239 HydrophobicContact CE1-CG1 4.1Å; F187-V239 HydrophobicContact CE2-CB 4.41Å; F187-V239 HydrophobicContact CE2-CG1 4.25Å; F187-V239 HydrophobicContact CZ-CB 4.32Å; F187-V239 HydrophobicContact CZ-CG1 3.68Å; L203-V239 HydrophobicContact CD2-CG2 3.62Å; Y217-V239 PolarHBondContact N-O 2.72Å; Y217-V239 PolarHBondContact O-N 3.5Å; M219-V239 HydrophobicContact CE-CG2 3.66Å; L237-V239 HydrophobicContact CG-CG2 4.34Å |
| 240 | T | 90.7 | Very high | 89.3 | Confident | 57 Ų | 57 | 50.6 Ų | 50.6 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.5 | 170.5 | -62.1 | 0 | 0 | 0 | 0 | 108 | I148 S149 I150 | I148-T240 PolarHBondContact O-N 2.83Å; S149-T240 WeakPolarHBondContact CA-O 3.42Å; I150-T240 PolarHBondContact N-O 3.33Å |
| 241 | V | 91.8 | Very high | 89.6 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 127 | 170.2 | -173 | 0 | 0 | 0 | 0 | 107.8 | I150 E152 L209 R211 D215 Y217 | I150-V241 CarbonylContact O-C 3.56Å; I150-V241 VanDerWaalsContact O-CA 3.29Å; I150-V241 WeakPolarHBondContact O-CA 3.17Å; E152-V241 HydrophobicContact CB-CG1 3.6Å; L209-V241 HydrophobicContact CB-CG1 4.34Å; L209-V241 HydrophobicContact CD1-CG2 4.49Å; R211-V241 HydrophobicContact CB-CB 4.37Å; R211-V241 HydrophobicContact CB-CG1 3.91Å; R211-V241 HydrophobicContact CG-CB 4.4Å; R211-V241 HydrophobicContact CG-CG1 4.38Å; D215-V241 WeakPolarHBondContact O-CB 3.17Å; D215-V241 PolarHBondContact O-N 2.72Å; Y217-V241 HydrophobicContact CD2-CG2 4.08Å; Y217-V241 HydrophobicContact CE2-CG2 3.76Å |
| 242 | T | 90.1 | Very high | 89.8 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.4 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | I150 P151 E152 | I150-T242 PolarHBondContact O-N 3.4Å; I150-T242 PolarHBondContact O-OG1 2.95Å; P151-T242 WeakPolarHBondContact CA-O 3.17Å; P151-T242 VanDerWaalsContact CA-OG1 3.29Å; P151-T242 WeakPolarHBondContact CA-OG1 3.26Å; E152-T242 PolarHBondContact N-O 3.29Å |
| 243 | D | 89.6 | Confident | 89.8 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 135.4 | -176.7 | -166.4 | 98.6 | 0 | 0 | 0 | 114.4 | E152 R211 D279 I280 N283 | E152-D243 WeakPolarHBondContact OE1-CA 3.45Å; R211-D243 IonicContact CZ-OD1 3.5Å; R211-D243 IonicContact NE-OD1 2.63Å; R211-D243 PolarHBondContact NE-OD1 3.37Å; R211-D243 IonicContact NH2-OD1 2.7Å; R211-D243 PolarHBondContact NH2-OD1 2.96Å; D243-D279 WeakPolarHBondContact OD1-CA 3.2Å; D243-I280 HydrophobicContact CB-CG2 3.88Å; D243-I280 WeakPolarHBondContact OD1-CG2 3.5Å; D243-I280 PolarHBondContact OD1-N 3.37Å; D243-N283 WeakPolarHBondContact OD2-CB 3.18Å; D243-N283 PolarHBondContact OD2-ND2 3.32Å |
| 244 | V | 89.1 | Confident | 89.7 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | trans | -130.2 | 131.6 | 172.8 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | P151 E152 N153 D246 | P151-V244 HydrophobicContact CB-CG2 4Å; E152-V244 HydrophobicContact CG-CB 4.07Å; E152-V244 HydrophobicContact CG-CG2 4.13Å; E152-V244 PolarHBondContact OE1-N 2.73Å; N153-V244 HydrophobicContact CB-CG1 4.26Å; N153-V244 HydrophobicContact CB-CG2 4.34Å; V244-D246 PolarHBondContact O-N 2.88Å | ||
| 245 | N | 87.1 | Confident | 89.8 | Confident | 48 Ų | 48 | 57.9 Ų | 57.9 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -66 | 90.1 | 177 | -178.6 | -125.2 | 0 | 0 | 0 | 112.3 | D279 N283 D333 S335 | N245-D279 VanDerWaalsContact CA-OD2 3.29Å; N245-D279 WeakPolarHBondContact CA-OD2 3.47Å; N245-D279 PolarHBondContact ND2-OD2 2.73Å; N245-N283 HydrophobicContact CB-CB 3.95Å; N245-N283 PolarHBondContact N-ND2 3.3Å; N245-D333 PolarHBondContact ND2-OD2 3.47Å; N245-S335 WeakPolarHBondContact OD1-CA 3.09Å; N245-S335 WeakPolarHBondContact OD1-CB 3.24Å; N245-S335 PolarHBondContact OD1-N 3.09Å |
| 246 | D | 85.7 | Confident | 90 | Very high | 110 Ų | 110 | 59 Ų | 59 | 59% | 0.588 | 31% | 0.306 | S | S | * | . | trans | -127.1 | -15.9 | 176.8 | 94.2 | -18.6 | 0 | 0 | 0 | 114.2 | V244 | V244-D246 PolarHBondContact O-N 2.88Š| ||
| 247 | N | 87.3 | Confident | 90.1 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -75.5 | -166.2 | 157.4 | -57.1 | -83.9 | 0 | 0 | 0 | 110.1 | A278 D279 | N247-A278 HydrophobicContact CB-CB 4.14Å; N247-D279 WeakPolarHBondContact CB-OD1 3.22Å; N247-D279 PolarHBondContact ND2-OD1 2.79Å |
| 248 | K | 87.6 | Confident | 90.3 | Very high | 114 Ų | 114 | 62.3 Ų | 62.3 | 50% | 0.496 | 33% | 0.325 | S | S | . | . | trans | -168.1 | 162.2 | 179.4 | 68.4 | -166.4 | 175.3 | -159 | 0 | 109.1 | D277 | K248-D277 VanDerWaalsContact C-CG 3.49Å; K248-D277 PolarHBondContact N-OD1 3.45Å | ||
| 249 | P | 91.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.013 | 34% | 0.338 | C | S | . | . | trans | -63 | 144.6 | -176 | -26.4 | 35.2 | 0 | 0 | 0 | 111.5 | A275 D277 I286 A331 D333 A339 | P249-A275 HydrophobicContact CB-CB 4.34Å; P249-D277 VanDerWaalsContact CA-OD2 3.27Å; P249-D277 WeakPolarHBondContact CA-OD2 3.49Å; P249-D277 WeakPolarHBondContact CD-OD2 3.34Å; P249-D277 VanDerWaalsContact CG-OD2 3.25Å; P249-D277 WeakPolarHBondContact CG-OD2 3.23Å; P249-I286 HydrophobicContact CB-CD1 4.19Å; P249-I286 HydrophobicContact CB-CG1 4.33Å; P249-I286 HydrophobicContact CB-CG2 4.34Å; P249-I286 HydrophobicContact CG-CG1 4.2Å; P249-I286 HydrophobicContact CG-CG2 4.35Å; P249-A331 HydrophobicContact CB-CB 3.75Å; P249-A331 HydrophobicContact CG-CB 4.34Å; P249-D333 HydrophobicContact CG-CB 4.02Å; P249-A339 HydrophobicContact CB-CB 4.28Å; P249-A339 WeakPolarHBondContact O-CB 3.34Å | ||
| 250 | V | 90.5 | Very high | 90.7 | Very high | 87 Ų | 87 | 65.5 Ų | 65.5 | 53% | 0.527 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 117.9 | 171.6 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | A275 T276 | V250-A275 CarbonylContact O-C 3.09Å; V250-A275 WeakPolarHBondContact O-CA 3.12Å; V250-T276 PolarHBondContact N-O 3.44Å; V250-T276 PolarHBondContact O-N 3.28Å |
| 251 | F | 92.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 9% | 0.088 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 135.1 | 170.9 | -76.5 | -79.4 | 0 | 0 | 0 | 110.5 | E253 L273 A275 Y288 V329 A331 A339 A341 | F251-E253 PolarHBondContact O-N 3.02Å; F251-L273 HydrophobicContact CE1-CB 4.15Å; F251-L273 HydrophobicContact CE1-CD1 4.17Å; F251-A275 HydrophobicContact CD1-CB 3.94Å; F251-A275 HydrophobicContact CE1-CB 4.24Å; F251-A275 HydrophobicContact CG-CB 4.2Å; F251-Y288 HydrophobicContact CE1-CD1 4.06Å; F251-Y288 AromaticContact CE1-CE1 3.81Å; F251-Y288 HydrophobicContact CE1-CE1 3.81Å; F251-Y288 HydrophobicContact CZ-CD1 4.25Å; F251-Y288 HydrophobicContact CZ-CE1 4.33Å; F251-V329 HydrophobicContact CZ-CG1 4.31Å; F251-A331 HydrophobicContact CD2-CB 4.34Å; F251-A331 HydrophobicContact CE1-CB 4.17Å; F251-A331 HydrophobicContact CE2-CB 3.55Å; F251-A331 HydrophobicContact CZ-CB 3.46Å; F251-A331 VanDerWaalsContact CZ-CB 3.46Å; F251-A339 HydrophobicContact CD2-CB 3.93Å; F251-A339 HydrophobicContact CE2-CB 4.09Å; F251-A341 HydrophobicContact CB-CB 4.4Å; F251-A341 HydrophobicContact CD1-CB 3.87Å; F251-A341 HydrophobicContact CD2-CB 3.79Å; F251-A341 HydrophobicContact CE1-CB 3.98Å; F251-A341 HydrophobicContact CE2-CB 3.9Å; F251-A341 HydrophobicContact CG-CB 3.77Å; F251-A341 HydrophobicContact CZ-CB 3.99Å |
| 252 | K | 89.9 | Confident | 90.9 | Very high | 140 Ų | 140 | 65.2 Ų | 65.2 | 61% | 0.609 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -56.9 | -38.8 | 173.4 | -179.6 | -179.8 | 170.3 | -106.9 | 0 | 112.5 | Q274 | K252-Q274 PolarHBondContact N-O 2.8Š|
| 253 | E | 89.8 | Confident | 91.1 | Very high | 93 Ų | 93 | 67.8 Ų | 67.8 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | trans | -135.9 | 125.7 | -179.8 | -74 | 157 | -126.6 | 0 | 0 | 108.7 | F251 I256 | F251-E253 PolarHBondContact O-N 3.02Å; E253-I256 HydrophobicContact CB-CD1 4.09Å; E253-I256 HydrophobicContact CB-CG1 3.84Å | ||
| 254 | S | 86.9 | Confident | 91.3 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -91.7 | -18.6 | -174 | 59.2 | 0 | 0 | 0 | 0 | 114 | A341 T342 | S254-A341 CarbonylContact O-C 3.58Å; S254-A341 WeakPolarHBondContact O-CA 3.47Å; S254-T342 PolarHBondContact O-N 2.75Å |
| 255 | Q | 92.3 | Very high | 91.5 | Very high | 155 Ų | 155 | 69.6 Ų | 69.6 | 72% | 0.724 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 128.1 | 173.1 | -67.9 | -177.5 | -10.7 | 0 | 0 | 108 | T342 | Q255-T342 WeakPolarHBondContact CA-O 3.16Å |
| 256 | I | 93.6 | Very high | 91.8 | Very high | 25 Ų | 25 | 72.8 Ų | 72.8 | 13% | 0.128 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 118.7 | -174.7 | -56.7 | 170.3 | 0 | 0 | 0 | 107.9 | E253 V258 V271 L273 T342 V343 T344 | E253-I256 HydrophobicContact CB-CD1 4.09Å; E253-I256 HydrophobicContact CB-CG1 3.84Å; I256-V258 HydrophobicContact CG2-CG2 3.94Å; I256-V271 HydrophobicContact CG2-CG2 4.27Å; I256-L273 HydrophobicContact CD1-CD2 3.47Å; I256-L273 VanDerWaalsContact CD1-CD2 3.47Å; I256-T342 PolarHBondContact N-O 3.41Å; I256-V343 CarbonylContact O-C 3.59Å; I256-V343 VanDerWaalsContact O-CA 3.22Å; I256-V343 WeakPolarHBondContact O-CA 3.17Å; I256-T344 PolarHBondContact O-N 2.76Å |
| 257 | D | 93.8 | Very high | 92.1 | Very high | 109 Ų | 109 | 69.9 Ų | 69.9 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.2 | 177.5 | -60 | -41.5 | 0 | 0 | 0 | 109.7 | T344 | D257-T344 WeakPolarHBondContact CA-O 3.29Å; D257-T344 WeakPolarHBondContact OD1-CB 3.31Å; D257-T344 PolarHBondContact OD1-OG1 3.49Å |
| 258 | V | 94.3 | Very high | 92.5 | Very high | 22 Ų | 22 | 69 Ų | 69 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139.7 | -171.3 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | I256 V270 V271 V343 T344 N346 | I256-V258 HydrophobicContact CG2-CG2 3.94Å; V258-V270 HydrophobicContact CB-CG1 4.4Å; V258-V270 HydrophobicContact CG1-CG1 3.84Å; V258-V271 HydrophobicContact CG2-CB 4Å; V258-V271 HydrophobicContact CG2-CG1 4.13Å; V258-V271 HydrophobicContact CG2-CG2 4.38Å; V258-V343 HydrophobicContact CG2-CG1 3.91Å; V258-T344 PolarHBondContact N-O 2.68Å; V258-N346 PolarHBondContact O-N 3.13Å |
| 259 | H | 94.6 | Very high | 92.8 | Very high | 129 Ų | 129 | 67.2 Ų | 67.2 | 60% | 0.597 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 132.4 | 175.8 | -72.2 | -101.6 | 0 | 0 | 0 | 110.5 | N346 T348 | H259-N346 WeakPolarHBondContact CA-O 3.4Å; H259-N346 PolarHBondContact CE1-ND2 2.76Å; H259-N346 PolarHBondContact NE2-ND2 3.34Å; H259-N346 VanDerWaalsContact NE2-ND2 3.13Å; H259-T348 HydrophobicContact CB-CG2 3.96Å |
| 260 | I | 95.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 131.6 | -178.3 | -172.1 | 168.1 | 0 | 0 | 0 | 110.4 | S264 T268 V270 V313 L317 I345 N346 V347 T348 | I260-S264 WeakPolarHBondContact CG1-OG 3.16Å; I260-T268 HydrophobicContact CD1-CG2 3.94Å; I260-V270 HydrophobicContact CD1-CG2 3.89Å; I260-V313 HydrophobicContact CD1-CG2 3.6Å; I260-L317 HydrophobicContact CG2-CD1 3.97Å; I260-I345 HydrophobicContact CG2-CG2 3.42Å; I260-I345 VanDerWaalsContact CG2-CG2 3.42Å; I260-N346 PolarHBondContact N-O 3.23Å; I260-N346 VanDerWaalsContact N-O 3.15Å; I260-V347 CarbonylContact O-C 3.59Å; I260-V347 WeakPolarHBondContact O-CA 3.18Å; I260-T348 PolarHBondContact O-N 3.23Å; I260-T348 PolarHBondContact O-OG1 3.43Å |
| 261 | P | 93.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 65.3 Ų | 65.3 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 144.9 | 176.9 | 29.4 | -33.7 | 0 | 0 | 0 | 111.2 | N263 S264 T348 V350 | P261-N263 VanDerWaalsContact C-N 3.31Å; P261-N263 PolarHBondContact O-N 2.72Å; P261-S264 WeakPolarHBondContact O-CB 3.4Å; P261-S264 PolarHBondContact O-N 2.97Å; P261-S264 PolarHBondContact O-OG 2.91Å; P261-T348 WeakPolarHBondContact CA-O 3.31Å; P261-T348 VanDerWaalsContact CA-OG1 3.23Å; P261-T348 WeakPolarHBondContact CA-OG1 3.47Å; P261-V350 HydrophobicContact CB-CG2 3.83Å |
| 262 | E | 94.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.028 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -34.5 | -173.5 | 60.4 | -146.6 | 112.6 | 0 | 0 | 114.5 | S264 L317 R319 V347 T348 D349 V350 | E262-S264 PolarHBondContact O-N 2.81Å; E262-L317 HydrophobicContact CB-CB 4.15Å; E262-R319 WeakPolarHBondContact OE2-CB 3.47Å; E262-R319 PolarHBondContact OE2-N 2.87Å; E262-V347 HydrophobicContact CB-CG1 3.57Å; E262-T348 PolarHBondContact N-O 2.69Å; E262-D349 VanDerWaalsContact OE1-CA 3.27Å; E262-D349 WeakPolarHBondContact OE1-CA 3.41Å; E262-V350 HydrophobicContact CG-CB 4.13Å; E262-V350 HydrophobicContact CG-CG2 4.14Å; E262-V350 PolarHBondContact OE1-N 2.75Å |
| 263 | N | 92.9 | Very high | 93.3 | Very high | 105 Ų | 105 | 64 Ų | 64 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 5.6 | 173.8 | 74.5 | -2.2 | 0 | 0 | 0 | 114.4 | P261 V350 | P261-N263 VanDerWaalsContact C-N 3.31Å; P261-N263 PolarHBondContact O-N 2.72Å; N263-V350 HydrophobicContact CB-CG1 4.46Å; N263-V350 HydrophobicContact CB-CG2 4.48Å |
| 264 | S | 94.8 | Very high | 93.4 | Very high | 11 Ų | 11 | 65 Ų | 65 | 8% | 0.077 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 123.3 | 176.3 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | I260 P261 E262 | I260-S264 WeakPolarHBondContact CG1-OG 3.16Å; P261-S264 WeakPolarHBondContact O-CB 3.4Å; P261-S264 PolarHBondContact O-N 2.97Å; P261-S264 PolarHBondContact O-OG 2.91Å; E262-S264 PolarHBondContact O-N 2.81Å |
| 265 | P | 93.8 | Very high | 93.6 | Very high | 92 Ų | 92 | 61.7 Ų | 61.7 | 60% | 0.597 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 151.8 | -176.1 | 25.2 | -33.5 | 0 | 0 | 0 | 112.2 | G267 T268 | P265-G267 PolarHBondContact O-N 2.79Å; P265-T268 WeakPolarHBondContact CD-OG1 3.2Å; P265-T268 VanDerWaalsContact O-CB 3.26Å; P265-T268 WeakPolarHBondContact O-CB 3.21Å; P265-T268 PolarHBondContact O-N 2.87Å; P265-T268 PolarHBondContact O-OG1 2.9Å |
| 266 | I | 93.6 | Very high | 93.5 | Very high | 115 Ų | 115 | 58.3 Ų | 58.3 | 59% | 0.59 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 130.6 | 174.1 | -57.7 | 173.4 | 0 | 0 | 0 | 109.3 | Q314 | I266-Q314 WeakPolarHBondContact CG2-O 3.28Š|
| 267 | G | 91.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 51% | 0.505 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -9.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P265 S269 V313 | P265-G267 PolarHBondContact O-N 2.79Å; G267-S269 PolarHBondContact O-N 2.96Å; G267-V313 PolarHBondContact N-O 2.82Å |
| 268 | T | 94.4 | Very high | 93.2 | Very high | 37 Ų | 37 | 55.8 Ų | 55.8 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | trans | -56.1 | 129.8 | 174.9 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | I260 P265 T312 V313 | I260-T268 HydrophobicContact CD1-CG2 3.94Å; P265-T268 WeakPolarHBondContact CD-OG1 3.2Å; P265-T268 VanDerWaalsContact O-CB 3.26Å; P265-T268 WeakPolarHBondContact O-CB 3.21Å; P265-T268 PolarHBondContact O-N 2.87Å; P265-T268 PolarHBondContact O-OG1 2.9Å; T268-T312 CarbonylContact O-C 3.52Å; T268-T312 WeakPolarHBondContact O-CA 3.46Å; T268-T312 WeakPolarHBondContact O-CB 3.28Å; T268-V313 PolarHBondContact O-N 2.87Å | ||
| 269 | S | 94.6 | Very high | 93 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 53% | 0.531 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 121.3 | 175.5 | -67.5 | 0 | 0 | 0 | 0 | 109.8 | G267 | G267-S269 PolarHBondContact O-N 2.96Å |
| 270 | V | 94.4 | Very high | 92.6 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -58.1 | -178.4 | -177.2 | 0 | 0 | 0 | 0 | 110 | V258 I260 F302 I311 V313 I345 | V258-V270 HydrophobicContact CB-CG1 4.4Å; V258-V270 HydrophobicContact CG1-CG1 3.84Å; I260-V270 HydrophobicContact CD1-CG2 3.89Å; V270-F302 HydrophobicContact CG2-CD1 4.01Å; V270-F302 HydrophobicContact CG2-CE1 4.05Å; V270-I311 HydrophobicContact CB-CB 4.39Å; V270-I311 HydrophobicContact CB-CG2 4.14Å; V270-I311 HydrophobicContact CG2-CG2 4.25Å; V270-I311 PolarHBondContact N-O 2.92Å; V270-V313 HydrophobicContact CG2-CG2 3.83Å; V270-I345 HydrophobicContact CG1-CD1 3.78Å; V270-I345 HydrophobicContact CG1-CG1 3.96Å; V270-I345 HydrophobicContact CG1-CG2 4.46Å |
| 271 | V | 94.4 | Very high | 92.2 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 148.4 | 177.7 | 64.1 | 0 | 0 | 0 | 0 | 109.4 | I256 V258 I311 V343 | I256-V271 HydrophobicContact CG2-CG2 4.27Å; V258-V271 HydrophobicContact CG2-CB 4Å; V258-V271 HydrophobicContact CG2-CG1 4.13Å; V258-V271 HydrophobicContact CG2-CG2 4.38Å; V271-I311 HydrophobicContact CG1-CB 4.38Å; V271-I311 HydrophobicContact CG1-CD1 4.04Å; V271-I311 PolarHBondContact O-N 3.41Å; V271-V343 HydrophobicContact CG1-CG1 3.96Å; V271-V343 HydrophobicContact CG1-CG2 4.49Å |
| 272 | Q | 93.9 | Very high | 91.8 | Very high | 129 Ų | 129 | 57.8 Ų | 57.8 | 60% | 0.603 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.2 | 169.3 | -168.1 | 175.4 | -1.4 | 0 | 0 | 109.9 | S308 L310 | Q272-S308 VanDerWaalsContact CG-O 3.25Å; Q272-S308 WeakPolarHBondContact CG-O 3.47Å; Q272-S308 PolarHBondContact NE2-O 2.99Å; Q272-L310 HydrophobicContact CB-CD1 3.95Å; Q272-L310 HydrophobicContact CG-CB 4.35Å; Q272-L310 HydrophobicContact CG-CD1 4.4Å |
| 273 | L | 93.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | trans | -81.4 | 144.4 | 174.7 | -60.7 | 178.8 | 0 | 0 | 0 | 110.8 | F251 I256 Y288 G309 I311 V329 V343 | F251-L273 HydrophobicContact CE1-CB 4.15Å; F251-L273 HydrophobicContact CE1-CD1 4.17Å; I256-L273 HydrophobicContact CD1-CD2 3.47Å; I256-L273 VanDerWaalsContact CD1-CD2 3.47Å; L273-Y288 HydrophobicContact CB-CE1 4.35Å; L273-G309 WeakPolarHBondContact CB-O 3.32Å; L273-G309 PolarHBondContact N-O 3.37Å; L273-I311 HydrophobicContact CD1-CD1 4.15Å; L273-I311 HydrophobicContact CG-CD1 4.43Å; L273-V329 HydrophobicContact CD1-CB 3.66Å; L273-V329 HydrophobicContact CD1-CG1 3.64Å; L273-V329 HydrophobicContact CD1-CG2 3.74Å; L273-V343 HydrophobicContact CD1-CG2 4.44Å; L273-V343 HydrophobicContact CD2-CG2 3.81Å | ||
| 274 | Q | 91.1 | Very high | 91 | Very high | 116 Ų | 116 | 56.4 Ų | 56.4 | 54% | 0.542 | 36% | 0.358 | S | S | . | . | trans | -128.3 | 114.3 | 175 | -170.9 | 176.2 | 19.3 | 0 | 0 | 109.4 | K252 | K252-Q274 PolarHBondContact N-O 2.8Š| ||
| 275 | A | 90.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 60 Ų | 60 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 158.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P249 V250 F251 I286 Y288 A331 | P249-A275 HydrophobicContact CB-CB 4.34Å; V250-A275 CarbonylContact O-C 3.09Å; V250-A275 WeakPolarHBondContact O-CA 3.12Å; F251-A275 HydrophobicContact CD1-CB 3.94Å; F251-A275 HydrophobicContact CE1-CB 4.24Å; F251-A275 HydrophobicContact CG-CB 4.2Å; A275-I286 HydrophobicContact CB-CD1 3.99Å; A275-I286 HydrophobicContact CB-CG2 4.41Å; A275-I286 WeakPolarHBondContact O-CD1 3.49Å; A275-Y288 HydrophobicContact CB-CE1 4Å; A275-Y288 PolarHBondContact N-OH 2.71Å; A275-A331 HydrophobicContact CB-CB 3.93Å |
| 276 | T | 90.8 | Very high | 90.6 | Very high | 84 Ų | 84 | 56.5 Ų | 56.5 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.4 | 176 | 50.5 | 0 | 0 | 0 | 0 | 109.4 | V250 | V250-T276 PolarHBondContact N-O 3.44Å; V250-T276 PolarHBondContact O-N 3.28Å |
| 277 | D | 91.1 | Very high | 90.5 | Very high | 33 Ų | 33 | 55.2 Ų | 55.2 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | trans | -110.6 | 167.1 | 168.5 | -133.2 | -52 | 0 | 0 | 0 | 111 | K248 P249 A284 I286 | K248-D277 VanDerWaalsContact C-CG 3.49Å; K248-D277 PolarHBondContact N-OD1 3.45Å; P249-D277 VanDerWaalsContact CA-OD2 3.27Å; P249-D277 WeakPolarHBondContact CA-OD2 3.49Å; P249-D277 WeakPolarHBondContact CD-OD2 3.34Å; P249-D277 VanDerWaalsContact CG-OD2 3.25Å; P249-D277 WeakPolarHBondContact CG-OD2 3.23Å; D277-A284 HydrophobicContact CB-CB 4.19Å; D277-I286 HydrophobicContact CB-CD1 4.37Å; D277-I286 HydrophobicContact CB-CG1 4.46Å | ||
| 278 | A | 89.2 | Confident | 90.6 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -104.2 | -27.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | R211 E212 N247 | R211-A278 PolarHBondContact NH2-O 3.04Å; E212-A278 HydrophobicContact CG-CB 3.81Å; N247-A278 HydrophobicContact CB-CB 4.14Å |
| 279 | D | 90.7 | Very high | 90.5 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.053 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -56.1 | 178.2 | 172.8 | -61.8 | -3.1 | 0 | 0 | 0 | 112.7 | D243 N245 N247 N283 A284 | D243-D279 WeakPolarHBondContact OD1-CA 3.2Å; N245-D279 VanDerWaalsContact CA-OD2 3.29Å; N245-D279 WeakPolarHBondContact CA-OD2 3.47Å; N245-D279 PolarHBondContact ND2-OD2 2.73Å; N247-D279 WeakPolarHBondContact CB-OD1 3.22Å; N247-D279 PolarHBondContact ND2-OD1 2.79Å; D279-N283 HydrophobicContact CB-CB 3.79Å; D279-A284 HydrophobicContact CB-CB 4.34Å; D279-A284 WeakPolarHBondContact O-CB 3.49Å |
| 280 | I | 86.8 | Confident | 90.5 | Very high | 106 Ų | 106 | 53.1 Ų | 53.1 | 54% | 0.544 | 31% | 0.313 | S | S | . | . | trans | -129.1 | 147.8 | 176.1 | -151.6 | 171.8 | 0 | 0 | 0 | 114.7 | D243 | D243-I280 HydrophobicContact CB-CG2 3.88Å; D243-I280 WeakPolarHBondContact OD1-CG2 3.5Å; D243-I280 PolarHBondContact OD1-N 3.37Å | ||
| 281 | G | 86.5 | Confident | 90.3 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 58% | 0.577 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | 74.3 | -128.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N283 A284 | G281-N283 VanDerWaalsContact C-N 3.29Å; G281-N283 PolarHBondContact O-N 3.18Å; G281-A284 PolarHBondContact O-N 3.48Å |
| 282 | A | 84.4 | Confident | 89.8 | Confident | 80 Ų | 80 | 57.3 Ų | 57.3 | 66% | 0.661 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -67 | -30.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | A284 D285 | A282-A284 PolarHBondContact O-N 3.43Å; A282-D285 PolarHBondContact O-N 2.78Å |
| 283 | N | 85.1 | Confident | 89.5 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -71.5 | -12.3 | 178.3 | -62.4 | -11.1 | 0 | 0 | 0 | 112.3 | D243 N245 D279 G281 D333 | D243-N283 WeakPolarHBondContact OD2-CB 3.18Å; D243-N283 PolarHBondContact OD2-ND2 3.32Å; N245-N283 HydrophobicContact CB-CB 3.95Å; N245-N283 PolarHBondContact N-ND2 3.3Å; D279-N283 HydrophobicContact CB-CB 3.79Å; G281-N283 VanDerWaalsContact C-N 3.29Å; G281-N283 PolarHBondContact O-N 3.18Å; N283-D333 WeakPolarHBondContact O-CB 3.4Å |
| 284 | A | 86.4 | Confident | 89.3 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 26% | 0.264 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -109.1 | 7.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D277 D279 G281 A282 I286 | D277-A284 HydrophobicContact CB-CB 4.19Å; D279-A284 HydrophobicContact CB-CB 4.34Å; D279-A284 WeakPolarHBondContact O-CB 3.49Å; G281-A284 PolarHBondContact O-N 3.48Å; A282-A284 PolarHBondContact O-N 3.43Å; A284-I286 PolarHBondContact O-N 2.87Å |
| 285 | D | 88.8 | Confident | 89.2 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | trans | -83 | 82 | -178.1 | -169.8 | 5.9 | 0 | 0 | 0 | 111.7 | A282 H287 | A282-D285 PolarHBondContact O-N 2.78Å; D285-H287 PolarHBondContact O-N 2.94Å; D285-H287 PolarHBondContact O-ND1 2.82Å; D285-H287 VanDerWaalsContact O-ND1 3.11Å; D285-H287 IonicContact OD1-CE1 2.64Å; D285-H287 IonicContact OD1-ND1 3.14Å; D285-H287 IonicContact OD2-CE1 2.7Å; D285-H287 PolarHBondContact OD2-CE1 2.64Å | ||
| 286 | I | 91 | Very high | 89.1 | Confident | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 116.2 | -173.1 | -55.1 | 173.4 | 0 | 0 | 0 | 111.9 | P249 A275 D277 A284 Y288 A331 | P249-I286 HydrophobicContact CB-CD1 4.19Å; P249-I286 HydrophobicContact CB-CG1 4.33Å; P249-I286 HydrophobicContact CB-CG2 4.34Å; P249-I286 HydrophobicContact CG-CG1 4.2Å; P249-I286 HydrophobicContact CG-CG2 4.35Å; A275-I286 HydrophobicContact CB-CD1 3.99Å; A275-I286 HydrophobicContact CB-CG2 4.41Å; A275-I286 WeakPolarHBondContact O-CD1 3.49Å; D277-I286 HydrophobicContact CB-CD1 4.37Å; D277-I286 HydrophobicContact CB-CG1 4.46Å; A284-I286 PolarHBondContact O-N 2.87Å; I286-Y288 HydrophobicContact CB-CE2 4.41Å; I286-Y288 HydrophobicContact CG2-CD2 4.36Å; I286-Y288 HydrophobicContact CG2-CE1 4.16Å; I286-Y288 HydrophobicContact CG2-CE2 3.91Å; I286-A331 HydrophobicContact CG2-CB 3.69Å |
| 287 | H | 92.1 | Very high | 88.9 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.9 | 170.1 | -66 | 11.2 | 0 | 0 | 0 | 111.7 | D285 T306 S332 | D285-H287 PolarHBondContact O-N 2.94Å; D285-H287 PolarHBondContact O-ND1 2.82Å; D285-H287 VanDerWaalsContact O-ND1 3.11Å; D285-H287 IonicContact OD1-CE1 2.64Å; D285-H287 IonicContact OD1-ND1 3.14Å; D285-H287 IonicContact OD2-CE1 2.7Å; D285-H287 PolarHBondContact OD2-CE1 2.64Å; H287-T306 CarbonylContact C-O 3.53Å; H287-T306 WeakPolarHBondContact CA-O 3.06Å; H287-S332 WeakPolarHBondContact CA-O 3.48Å; H287-S332 WeakPolarHBondContact CB-O 3.34Å; H287-S332 PolarHBondContact N-O 3.31Å; H287-S332 PolarHBondContact O-N 3.04Å |
| 288 | Y | 93.3 | Very high | 88.8 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.3 | -179.5 | -60.6 | -91.4 | 0 | 0 | 0 | 111.8 | F251 L273 A275 I286 T306 L330 A331 | F251-Y288 HydrophobicContact CE1-CD1 4.06Å; F251-Y288 AromaticContact CE1-CE1 3.81Å; F251-Y288 HydrophobicContact CE1-CE1 3.81Å; F251-Y288 HydrophobicContact CZ-CD1 4.25Å; F251-Y288 HydrophobicContact CZ-CE1 4.33Å; L273-Y288 HydrophobicContact CB-CE1 4.35Å; A275-Y288 HydrophobicContact CB-CE1 4Å; A275-Y288 PolarHBondContact N-OH 2.71Å; I286-Y288 HydrophobicContact CB-CE2 4.41Å; I286-Y288 HydrophobicContact CG2-CD2 4.36Å; I286-Y288 HydrophobicContact CG2-CE1 4.16Å; I286-Y288 HydrophobicContact CG2-CE2 3.91Å; Y288-T306 PolarHBondContact N-O 3.19Å; Y288-L330 WeakPolarHBondContact CA-O 3.33Å; Y288-A331 HydrophobicContact CD1-CB 4.23Å; Y288-A331 HydrophobicContact CE1-CB 4.18Å |
| 289 | V | 92.8 | Very high | 88.8 | Confident | 68 Ų | 68 | 56 Ų | 56 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.4 | -179.5 | -61 | 0 | 0 | 0 | 0 | 113.3 | G291 L330 | V289-G291 PolarHBondContact O-N 2.93Å; V289-L330 HydrophobicContact CG2-CB 3.96Å; V289-L330 PolarHBondContact N-O 3.14Å; V289-L330 PolarHBondContact O-N 3.07Å |
| 290 | F | 93.8 | Very high | 88.8 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 120.8 | 173 | -69.9 | -52.8 | 0 | 0 | 0 | 111.6 | K299 F302 L304 L327 V329 | F290-K299 HydrophobicContact CB-CD 4.19Å; F290-K299 HydrophobicContact CB-CG 4.46Å; F290-K299 HydrophobicContact CD2-CG 4.3Å; F290-K299 PolarHBondContact O-NZ 3.04Å; F290-F302 VanDerWaalsContact CE2-O 3.28Å; F290-F302 WeakPolarHBondContact CE2-O 3.38Å; F290-F302 HydrophobicContact CZ-CB 4.2Å; F290-L304 HydrophobicContact CD1-CB 4.4Å; F290-L304 HydrophobicContact CD1-CD2 4.07Å; F290-L304 HydrophobicContact CD2-CB 4.23Å; F290-L304 HydrophobicContact CE1-CB 3.84Å; F290-L304 HydrophobicContact CE1-CD2 4.17Å; F290-L304 HydrophobicContact CE2-CB 3.67Å; F290-L304 HydrophobicContact CG-CD2 4.32Å; F290-L304 HydrophobicContact CZ-CB 3.46Å; F290-L304 VanDerWaalsContact CZ-CB 3.46Å; F290-L327 HydrophobicContact CD1-CD2 4.27Å; F290-L327 HydrophobicContact CE1-CB 4.46Å; F290-L327 HydrophobicContact CE1-CD1 3.97Å; F290-L327 HydrophobicContact CE1-CD2 3.88Å; F290-L327 HydrophobicContact CE1-CG 4.34Å; F290-L327 HydrophobicContact CZ-CD1 4.43Å; F290-L327 HydrophobicContact CZ-CD2 4.38Å; F290-V329 HydrophobicContact CD1-CG2 3.96Å; F290-V329 HydrophobicContact CE1-CG2 4.14Å |
| 291 | G | 89.3 | Confident | 89.1 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | trans | -59.3 | 163.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V289 Q293 V294 K299 S328 | V289-G291 PolarHBondContact O-N 2.93Å; G291-Q293 VanDerWaalsContact C-N 3.28Å; G291-Q293 PolarHBondContact O-N 3.43Å; G291-V294 PolarHBondContact O-N 3.16Å; G291-K299 WeakPolarHBondContact O-CE 3.29Å; G291-K299 PolarHBondContact O-NZ 2.87Å; G291-S328 PolarHBondContact N-O 3.09Å | ||
| 292 | T | 85.8 | Confident | 89.6 | Confident | 136 Ų | 136 | 56.4 Ų | 56.4 | 83% | 0.834 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30.7 | -176.3 | 48.6 | 0 | 0 | 0 | 0 | 113 | V294 | T292-V294 PolarHBondContact O-N 3.17Š|
| 293 | Q | 86.1 | Confident | 90 | Very high | 85 Ų | 85 | 53.8 Ų | 53.8 | 40% | 0.397 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.2 | 175.6 | 57.6 | -83.1 | -7.9 | 0 | 0 | 116 | G291 S328 R340 | G291-Q293 VanDerWaalsContact C-N 3.28Å; G291-Q293 PolarHBondContact O-N 3.43Å; Q293-S328 VanDerWaalsContact NE2-CB 3.3Å; Q293-S328 PolarHBondContact NE2-OG 3.29Å; Q293-R340 VanDerWaalsContact NE2-NH1 3.16Å |
| 294 | V | 90 | Very high | 90.5 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -82.9 | 130.1 | -178.3 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | G291 T292 T298 K299 L327 S328 | G291-V294 PolarHBondContact O-N 3.16Å; T292-V294 PolarHBondContact O-N 3.17Å; V294-T298 HydrophobicContact CG1-CG2 4.42Å; V294-K299 HydrophobicContact CB-CG 4.3Å; V294-K299 HydrophobicContact CG1-CG 3.81Å; V294-K299 VanDerWaalsContact O-CE 3.29Å; V294-K299 WeakPolarHBondContact O-CE 3.41Å; V294-L327 HydrophobicContact CG1-CD2 3.63Å; V294-S328 WeakPolarHBondContact CG2-O 3.33Å |
| 295 | S | 88.4 | Confident | 90.8 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | trans | -63.3 | 148.7 | -172.3 | 93.9 | 0 | 0 | 0 | 0 | 113.3 | A297 T298 K299 | S295-A297 PolarHBondContact O-N 2.89Å; S295-A297 PolarHBondContact OG-N 2.89Å; S295-T298 PolarHBondContact O-N 3.28Å; S295-T298 PolarHBondContact OG-N 2.79Å; S295-T298 PolarHBondContact OG-OG1 3.48Å; S295-K299 WeakPolarHBondContact O-CG 3.47Å; S295-K299 PolarHBondContact O-N 3.43Å | ||
| 296 | P | 87.8 | Confident | 91 | Very high | 104 Ų | 104 | 54.3 Ų | 54.3 | 68% | 0.675 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20.1 | 175 | -24 | 34.7 | 0 | 0 | 0 | 114.8 | R300 | P296-R300 WeakPolarHBondContact O-CD 3.16Å; P296-R300 WeakPolarHBondContact O-CG 3.24Å |
| 297 | A | 87.7 | Confident | 91 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -51.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S295 K299 R300 L301 | S295-A297 PolarHBondContact O-N 2.89Å; S295-A297 PolarHBondContact OG-N 2.89Å; A297-K299 VanDerWaalsContact C-N 3.29Å; A297-K299 PolarHBondContact O-N 3.46Å; A297-R300 WeakPolarHBondContact O-CB 3.31Å; A297-R300 PolarHBondContact O-N 2.89Å; A297-L301 PolarHBondContact O-N 2.79Å |
| 298 | T | 89.1 | Confident | 90.9 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 10% | 0.104 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -36.3 | 179.5 | -37.9 | 0 | 0 | 0 | 0 | 112.1 | V294 S295 R300 L301 F302 H325 L327 | V294-T298 HydrophobicContact CG1-CG2 4.42Å; S295-T298 PolarHBondContact O-N 3.28Å; S295-T298 PolarHBondContact OG-N 2.79Å; S295-T298 PolarHBondContact OG-OG1 3.48Å; T298-R300 PolarHBondContact O-N 2.83Å; T298-R300 VanDerWaalsContact O-N 3.13Å; T298-L301 PolarHBondContact O-N 2.92Å; T298-L301 VanDerWaalsContact O-N 3.1Å; T298-F302 HydrophobicContact CG2-CD2 4Å; T298-F302 HydrophobicContact CG2-CE2 4.16Å; T298-F302 PolarHBondContact O-N 2.85Å; T298-H325 HydrophobicContact CG2-CB 3.79Å; T298-L327 HydrophobicContact CG2-CD2 3.61Å; T298-L327 HydrophobicContact CG2-CG 4.42Å |
| 299 | K | 88.8 | Confident | 90.8 | Very high | 74 Ų | 74 | 54.9 Ų | 54.9 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.9 | -3.2 | 172.2 | -66.9 | -166.8 | -173.7 | -164.8 | 0 | 115 | F290 G291 V294 S295 A297 | F290-K299 HydrophobicContact CB-CD 4.19Å; F290-K299 HydrophobicContact CB-CG 4.46Å; F290-K299 HydrophobicContact CD2-CG 4.3Å; F290-K299 PolarHBondContact O-NZ 3.04Å; G291-K299 WeakPolarHBondContact O-CE 3.29Å; G291-K299 PolarHBondContact O-NZ 2.87Å; V294-K299 HydrophobicContact CB-CG 4.3Å; V294-K299 HydrophobicContact CG1-CG 3.81Å; V294-K299 VanDerWaalsContact O-CE 3.29Å; V294-K299 WeakPolarHBondContact O-CE 3.41Å; S295-K299 WeakPolarHBondContact O-CG 3.47Å; S295-K299 PolarHBondContact O-N 3.43Å; A297-K299 VanDerWaalsContact C-N 3.29Å; A297-K299 PolarHBondContact O-N 3.46Å |
| 300 | R | 91.4 | Very high | 90.9 | Very high | 151 Ų | 151 | 53.6 Ų | 53.6 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -102.3 | -21 | 170.7 | -64.1 | 165.1 | 176.9 | -173.5 | -1.4 | 112.7 | P296 A297 T298 R315 | P296-R300 WeakPolarHBondContact O-CD 3.16Å; P296-R300 WeakPolarHBondContact O-CG 3.24Å; A297-R300 WeakPolarHBondContact O-CB 3.31Å; A297-R300 PolarHBondContact O-N 2.89Å; T298-R300 PolarHBondContact O-N 2.83Å; T298-R300 VanDerWaalsContact O-N 3.13Å; R300-R315 WeakPolarHBondContact O-CD 3.49Å; R300-R315 VanDerWaalsContact O-CG 3.24Å; R300-R315 WeakPolarHBondContact O-CG 3.37Å |
| 301 | L | 93.4 | Very high | 91 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -84.4 | -33.4 | 179.9 | -61.5 | 179.1 | 0 | 0 | 0 | 111.6 | A297 T298 Q314 R315 L317 H325 | A297-L301 PolarHBondContact O-N 2.79Å; T298-L301 PolarHBondContact O-N 2.92Å; T298-L301 VanDerWaalsContact O-N 3.1Å; L301-Q314 PolarHBondContact O-N 2.84Å; L301-R315 HydrophobicContact CD2-CB 4.08Å; L301-R315 PolarHBondContact O-N 2.9Å; L301-L317 HydrophobicContact CB-CD2 4.04Å; L301-L317 HydrophobicContact CD1-CD2 4.42Å; L301-H325 WeakPolarHBondContact CD1-CE1 3.19Å; L301-H325 WeakPolarHBondContact CD1-NE2 3.38Å |
| 302 | F | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.8 | -179 | -55.5 | -78.2 | 0 | 0 | 0 | 112.2 | V270 F290 T298 I311 T312 V313 L317 H325 L327 I345 | V270-F302 HydrophobicContact CG2-CD1 4.01Å; V270-F302 HydrophobicContact CG2-CE1 4.05Å; F290-F302 VanDerWaalsContact CE2-O 3.28Å; F290-F302 WeakPolarHBondContact CE2-O 3.38Å; F290-F302 HydrophobicContact CZ-CB 4.2Å; T298-F302 HydrophobicContact CG2-CD2 4Å; T298-F302 HydrophobicContact CG2-CE2 4.16Å; T298-F302 PolarHBondContact O-N 2.85Å; F302-I311 HydrophobicContact CB-CG2 4.06Å; F302-I311 HydrophobicContact CD1-CG2 4.26Å; F302-I311 HydrophobicContact CG-CG2 4.43Å; F302-T312 CarbonylContact C-O 3.5Å; F302-T312 WeakPolarHBondContact CA-O 3.31Å; F302-V313 HydrophobicContact CE1-CG2 4.36Å; F302-L317 HydrophobicContact CE1-CD1 4.21Å; F302-L317 HydrophobicContact CE1-CD2 3.93Å; F302-L317 HydrophobicContact CE2-CD2 4.19Å; F302-L317 HydrophobicContact CZ-CD1 4.13Å; F302-L317 HydrophobicContact CZ-CD2 3.52Å; F302-L317 HydrophobicContact CZ-CG 4.5Å; F302-H325 HydrophobicContact CE2-CB 3.97Å; F302-H325 AromaticContact CE2-CD2 3.39Å; F302-H325 WeakPolarHBondContact CE2-CD2 3.3Å; F302-H325 AromaticContact CE2-CG 3.8Å; F302-H325 AromaticContact CZ-CD2 3.58Å; F302-L327 HydrophobicContact CB-CD1 4.02Å; F302-L327 HydrophobicContact CD2-CD1 4.05Å; F302-L327 HydrophobicContact CD2-CD2 4.27Å; F302-L327 HydrophobicContact CD2-CG 4.47Å; F302-L327 HydrophobicContact CG-CD1 3.97Å; F302-I345 HydrophobicContact CD1-CD1 3.79Å; F302-I345 HydrophobicContact CD2-CD1 4.18Å; F302-I345 HydrophobicContact CE1-CD1 3.54Å; F302-I345 HydrophobicContact CE1-CG2 4.39Å; F302-I345 HydrophobicContact CE2-CD1 3.96Å; F302-I345 HydrophobicContact CG-CD1 4.1Å; F302-I345 HydrophobicContact CZ-CB 4.5Å; F302-I345 HydrophobicContact CZ-CD1 3.63Å; F302-I345 HydrophobicContact CZ-CG2 4.1Å |
| 303 | A | 93.7 | Very high | 91.8 | Very high | 26 Ų | 26 | 47 Ų | 47 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 151.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I311 T312 Q314 | A303-I311 CarbonylContact O-C 3.55Å; A303-I311 WeakPolarHBondContact O-CA 3.41Å; A303-T312 PolarHBondContact N-O 2.76Å; A303-T312 PolarHBondContact O-N 2.85Å; A303-Q314 HydrophobicContact CB-CB 4.13Å; A303-Q314 HydrophobicContact CB-CG 4.4Å |
| 304 | L | 95.1 | Very high | 92.1 | Very high | 26 Ų | 26 | 47.6 Ų | 47.6 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.9 | 172 | 168.2 | 64.8 | 0 | 0 | 0 | 107.9 | F290 L310 I311 V329 | F290-L304 HydrophobicContact CD1-CB 4.4Å; F290-L304 HydrophobicContact CD1-CD2 4.07Å; F290-L304 HydrophobicContact CD2-CB 4.23Å; F290-L304 HydrophobicContact CE1-CB 3.84Å; F290-L304 HydrophobicContact CE1-CD2 4.17Å; F290-L304 HydrophobicContact CE2-CB 3.67Å; F290-L304 HydrophobicContact CG-CD2 4.32Å; F290-L304 HydrophobicContact CZ-CB 3.46Å; F290-L304 VanDerWaalsContact CZ-CB 3.46Å; L304-L310 WeakPolarHBondContact CA-O 3.35Å; L304-I311 HydrophobicContact CD1-CG1 3.89Å; L304-V329 HydrophobicContact CD2-CG1 3.63Å; L304-V329 HydrophobicContact CD2-CG2 4.21Å |
| 305 | N | 94.3 | Very high | 92.3 | Very high | 73 Ų | 73 | 53.6 Ų | 53.6 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | trans | -75.8 | 125.7 | 171.2 | -175.9 | -64.3 | 0 | 0 | 0 | 109.6 | T307 S308 G309 L310 | N305-T307 VanDerWaalsContact C-N 3.32Å; N305-T307 PolarHBondContact O-N 3Å; N305-T307 PolarHBondContact OD1-N 2.82Å; N305-T307 PolarHBondContact OD1-OG1 2.83Å; N305-S308 WeakPolarHBondContact CB-OG 3.21Å; N305-S308 PolarHBondContact OD1-N 3.06Å; N305-S308 PolarHBondContact OD1-OG 3Å; N305-S308 VanDerWaalsContact OD1-OG 3.14Å; N305-G309 PolarHBondContact O-N 3.3Å; N305-L310 HydrophobicContact CB-CB 4.23Å; N305-L310 PolarHBondContact N-O 2.96Å | ||
| 306 | T | 91.7 | Very high | 92.5 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 49% | 0.485 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.6 | -170.2 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | H287 Y288 | H287-T306 CarbonylContact C-O 3.53Å; H287-T306 WeakPolarHBondContact CA-O 3.06Å; Y288-T306 PolarHBondContact N-O 3.19Å |
| 307 | T | 90.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 51.2 Ų | 51.2 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -33.1 | -178.9 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | N305 | N305-T307 VanDerWaalsContact C-N 3.32Å; N305-T307 PolarHBondContact O-N 3Å; N305-T307 PolarHBondContact OD1-N 2.82Å; N305-T307 PolarHBondContact OD1-OG1 2.83Å |
| 308 | S | 91 | Very high | 93.1 | Very high | 41 Ų | 41 | 52 Ų | 52 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -8.1 | -179.3 | 71.6 | 0 | 0 | 0 | 0 | 114.7 | Q272 N305 L310 | Q272-S308 VanDerWaalsContact CG-O 3.25Å; Q272-S308 WeakPolarHBondContact CG-O 3.47Å; Q272-S308 PolarHBondContact NE2-O 2.99Å; N305-S308 WeakPolarHBondContact CB-OG 3.21Å; N305-S308 PolarHBondContact OD1-N 3.06Å; N305-S308 PolarHBondContact OD1-OG 3Å; N305-S308 VanDerWaalsContact OD1-OG 3.14Å; S308-L310 PolarHBondContact O-N 3.45Å; S308-L310 WeakPolarHBondContact OG-CB 3.43Å |
| 309 | G | 91.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | 68.4 | 6.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L273 N305 I311 | L273-G309 WeakPolarHBondContact CB-O 3.32Å; L273-G309 PolarHBondContact N-O 3.37Å; N305-G309 PolarHBondContact O-N 3.3Å; G309-I311 PolarHBondContact O-N 3.35Å | ||
| 310 | L | 94.9 | Very high | 93.5 | Very high | 42 Ų | 42 | 52 Ų | 52 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.8 | -177.2 | -176.4 | 67.2 | 0 | 0 | 0 | 111.7 | Q272 L304 N305 S308 T312 | Q272-L310 HydrophobicContact CB-CD1 3.95Å; Q272-L310 HydrophobicContact CG-CB 4.35Å; Q272-L310 HydrophobicContact CG-CD1 4.4Å; L304-L310 WeakPolarHBondContact CA-O 3.35Å; N305-L310 HydrophobicContact CB-CB 4.23Å; N305-L310 PolarHBondContact N-O 2.96Å; S308-L310 PolarHBondContact O-N 3.45Å; S308-L310 WeakPolarHBondContact OG-CB 3.43Å; L310-T312 HydrophobicContact CD2-CG2 3.9Å; L310-T312 HydrophobicContact CG-CG2 3.94Å |
| 311 | I | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129 | 169.8 | -59.5 | 175.7 | 0 | 0 | 0 | 108.9 | V270 V271 L273 F302 A303 L304 G309 L327 V329 V343 | V270-I311 HydrophobicContact CB-CB 4.39Å; V270-I311 HydrophobicContact CB-CG2 4.14Å; V270-I311 HydrophobicContact CG2-CG2 4.25Å; V270-I311 PolarHBondContact N-O 2.92Å; V271-I311 HydrophobicContact CG1-CB 4.38Å; V271-I311 HydrophobicContact CG1-CD1 4.04Å; V271-I311 PolarHBondContact O-N 3.41Å; L273-I311 HydrophobicContact CD1-CD1 4.15Å; L273-I311 HydrophobicContact CG-CD1 4.43Å; F302-I311 HydrophobicContact CB-CG2 4.06Å; F302-I311 HydrophobicContact CD1-CG2 4.26Å; F302-I311 HydrophobicContact CG-CG2 4.43Å; A303-I311 CarbonylContact O-C 3.55Å; A303-I311 WeakPolarHBondContact O-CA 3.41Å; L304-I311 HydrophobicContact CD1-CG1 3.89Å; G309-I311 PolarHBondContact O-N 3.35Å; I311-L327 HydrophobicContact CD1-CD1 4.04Å; I311-L327 HydrophobicContact CG2-CD1 3.94Å; I311-V329 HydrophobicContact CD1-CG2 4.21Å; I311-V343 HydrophobicContact CD1-CG2 4.02Å |
| 312 | T | 95.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 20% | 0.202 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 153.1 | 177.2 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | T268 F302 A303 L310 Q314 | T268-T312 CarbonylContact O-C 3.52Å; T268-T312 WeakPolarHBondContact O-CA 3.46Å; T268-T312 WeakPolarHBondContact O-CB 3.28Å; F302-T312 CarbonylContact C-O 3.5Å; F302-T312 WeakPolarHBondContact CA-O 3.31Å; A303-T312 PolarHBondContact N-O 2.76Å; A303-T312 PolarHBondContact O-N 2.85Å; L310-T312 HydrophobicContact CD2-CG2 3.9Å; L310-T312 HydrophobicContact CG-CG2 3.94Å; T312-Q314 PolarHBondContact O-N 3.22Å |
| 313 | V | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 121.9 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | I260 G267 T268 V270 F302 R315 L317 | I260-V313 HydrophobicContact CD1-CG2 3.6Å; G267-V313 PolarHBondContact N-O 2.82Å; T268-V313 PolarHBondContact O-N 2.87Å; V270-V313 HydrophobicContact CG2-CG2 3.83Å; F302-V313 HydrophobicContact CE1-CG2 4.36Å; V313-R315 WeakPolarHBondContact CG1-O 3.37Å; V313-L317 HydrophobicContact CG1-CG 4.37Å; V313-L317 HydrophobicContact CG2-CD1 4.39Å |
| 314 | Q | 93.3 | Very high | 93.2 | Very high | 98 Ų | 98 | 58.6 Ų | 58.6 | 46% | 0.458 | 31% | 0.313 | S | S | . | . | trans | -104.5 | -21.4 | -178.6 | -169.1 | 174.6 | 24 | 0 | 0 | 113.2 | I266 L301 A303 T312 | I266-Q314 WeakPolarHBondContact CG2-O 3.28Å; L301-Q314 PolarHBondContact O-N 2.84Å; A303-Q314 HydrophobicContact CB-CB 4.13Å; A303-Q314 HydrophobicContact CB-CG 4.4Å; T312-Q314 PolarHBondContact O-N 3.22Å | ||
| 315 | R | 93.6 | Very high | 93.1 | Very high | 133 Ų | 133 | 57.7 Ų | 57.7 | 50% | 0.502 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -141.4 | 162.1 | 175.3 | -71 | -177.5 | -178.2 | -139.7 | -7.9 | 109.2 | R300 L301 V313 | R300-R315 WeakPolarHBondContact O-CD 3.49Å; R300-R315 VanDerWaalsContact O-CG 3.24Å; R300-R315 WeakPolarHBondContact O-CG 3.37Å; L301-R315 HydrophobicContact CD2-CB 4.08Å; L301-R315 PolarHBondContact O-N 2.9Å; V313-R315 WeakPolarHBondContact CG1-O 3.37Å |
| 316 | P | 93.2 | Very high | 93 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 59% | 0.591 | 32% | 0.318 | S | S | * | . | trans | -51.7 | 144.7 | 169.5 | -23 | 35 | 0 | 0 | 0 | 110.6 | ||||
| 317 | L | 94.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | trans | -94.6 | 158.7 | 170.7 | -54.5 | 178.1 | 0 | 0 | 0 | 108.4 | I260 E262 L301 F302 V313 V347 | I260-L317 HydrophobicContact CG2-CD1 3.97Å; E262-L317 HydrophobicContact CB-CB 4.15Å; L301-L317 HydrophobicContact CB-CD2 4.04Å; L301-L317 HydrophobicContact CD1-CD2 4.42Å; F302-L317 HydrophobicContact CE1-CD1 4.21Å; F302-L317 HydrophobicContact CE1-CD2 3.93Å; F302-L317 HydrophobicContact CE2-CD2 4.19Å; F302-L317 HydrophobicContact CZ-CD1 4.13Å; F302-L317 HydrophobicContact CZ-CD2 3.52Å; F302-L317 HydrophobicContact CZ-CG 4.5Å; V313-L317 HydrophobicContact CG1-CG 4.37Å; V313-L317 HydrophobicContact CG2-CD1 4.39Å; L317-V347 HydrophobicContact CB-CG1 4.31Å; L317-V347 HydrophobicContact CD1-CG2 4.37Å | ||
| 318 | D | 93.6 | Very high | 93.3 | Very high | 78 Ų | 78 | 53.3 Ų | 53.3 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | trans | -148 | 109 | -176.8 | 177.5 | -36.3 | 0 | 0 | 0 | 105.4 | E320 E321 T322 | D318-E320 PolarHBondContact OD1-N 2.98Å; D318-E321 HydrophobicContact CB-CB 4.17Å; D318-E321 WeakPolarHBondContact OD1-CB 3.49Å; D318-E321 PolarHBondContact OD1-N 2.98Å; D318-T322 PolarHBondContact O-N 2.54Å | ||
| 319 | R | 93.8 | Very high | 93.4 | Very high | 35 Ų | 35 | 51.3 Ų | 51.3 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -79.2 | -30.5 | -173.7 | -175.9 | -144 | 68.6 | 103.6 | 1.6 | 110.9 | E262 E321 T322 A323 V347 D349 R390 T392 | E262-R319 WeakPolarHBondContact OE2-CB 3.47Å; E262-R319 PolarHBondContact OE2-N 2.87Å; R319-E321 VanDerWaalsContact C-N 3.3Å; R319-T322 CarbonylContact O-C 3.56Å; R319-T322 PolarHBondContact O-N 3.47Å; R319-A323 HydrophobicContact CG-CB 3.64Å; R319-A323 PolarHBondContact O-N 2.95Å; R319-V347 HydrophobicContact CB-CB 4.3Å; R319-V347 HydrophobicContact CB-CG1 3.93Å; R319-V347 HydrophobicContact CG-CB 4.29Å; R319-V347 HydrophobicContact CG-CG1 4.36Å; R319-D349 IonicContact CZ-OD1 2.83Å; R319-D349 IonicContact NE-OD1 3.45Å; R319-D349 PolarHBondContact NE-OD1 3.18Å; R319-D349 VanDerWaalsContact NE-OD1 3.1Å; R319-D349 IonicContact NH1-OD1 3.49Å; R319-D349 PolarHBondContact NH1-OD1 3.2Å; R319-D349 IonicContact NH2-OD1 3.47Å; R319-D349 PolarHBondContact NH2-OD1 2.77Å; R319-R390 PolarHBondContact NH2-O 2.96Å; R319-T392 PolarHBondContact NH1-OG1 2.94Å |
| 320 | E | 93.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.1 | -35.3 | 174.3 | -67.3 | 58.4 | -120.5 | 0 | 0 | 111.1 | D318 R390 | D318-E320 PolarHBondContact OD1-N 2.98Å; E320-R390 HydrophobicContact CG-CB 3.82Å |
| 321 | E | 90.8 | Very high | 93.4 | Very high | 151 Ų | 151 | 50.6 Ų | 50.6 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -74.3 | -50.8 | 168.6 | -175 | 175.1 | -137.4 | 0 | 0 | 111.1 | D318 R319 | D318-E321 HydrophobicContact CB-CB 4.17Å; D318-E321 WeakPolarHBondContact OD1-CB 3.49Å; D318-E321 PolarHBondContact OD1-N 2.98Å; R319-E321 VanDerWaalsContact C-N 3.3Å |
| 322 | T | 90.6 | Very high | 93.1 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 36% | 0.362 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -156.9 | 94.8 | 178.5 | -61.2 | 0 | 0 | 0 | 0 | 114.3 | D318 R319 I324 H325 | D318-T322 PolarHBondContact O-N 2.54Å; R319-T322 CarbonylContact O-C 3.56Å; R319-T322 PolarHBondContact O-N 3.47Å; T322-I324 VanDerWaalsContact C-N 3.27Å; T322-I324 WeakPolarHBondContact CG2-O 3.37Å; T322-I324 PolarHBondContact O-N 3.19Å; T322-I324 VanDerWaalsContact O-N 3.17Å; T322-H325 WeakPolarHBondContact CG2-ND1 3.49Å; T322-H325 PolarHBondContact O-CE1 2.85Å |
| 323 | A | 91.8 | Very high | 92.7 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 31% | 0.314 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -59.8 | -22.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | R319 V347 | R319-A323 HydrophobicContact CG-CB 3.64Å; R319-A323 PolarHBondContact O-N 2.95Å; A323-V347 PolarHBondContact O-N 3.37Å |
| 324 | I | 93.6 | Very high | 91.8 | Very high | 95 Ų | 95 | 54.3 Ų | 54.3 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 118.6 | -175 | -56.2 | -179.4 | 0 | 0 | 0 | 111.5 | T322 K326 T344 I345 | T322-I324 VanDerWaalsContact C-N 3.27Å; T322-I324 WeakPolarHBondContact CG2-O 3.37Å; T322-I324 PolarHBondContact O-N 3.19Å; T322-I324 VanDerWaalsContact O-N 3.17Å; I324-K326 HydrophobicContact CG2-CG 4.48Å; I324-T344 HydrophobicContact CG2-CG2 3.57Å; I324-I345 WeakPolarHBondContact CA-O 3.44Å |
| 325 | H | 93.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121.1 | 176.4 | -59.2 | -57.3 | 0 | 0 | 0 | 111.6 | T298 L301 F302 T322 I345 | T298-H325 HydrophobicContact CG2-CB 3.79Å; L301-H325 WeakPolarHBondContact CD1-CE1 3.19Å; L301-H325 WeakPolarHBondContact CD1-NE2 3.38Å; F302-H325 HydrophobicContact CE2-CB 3.97Å; F302-H325 AromaticContact CE2-CD2 3.39Å; F302-H325 WeakPolarHBondContact CE2-CD2 3.3Å; F302-H325 AromaticContact CE2-CG 3.8Å; F302-H325 AromaticContact CZ-CD2 3.58Å; T322-H325 WeakPolarHBondContact CG2-ND1 3.49Å; T322-H325 PolarHBondContact O-CE1 2.85Å; H325-I345 HydrophobicContact CB-CB 4.31Å; H325-I345 PolarHBondContact N-O 3.07Å; H325-I345 PolarHBondContact O-N 2.81Å |
| 326 | K | 92.3 | Very high | 89.7 | Confident | 140 Ų | 140 | 49.9 Ų | 49.9 | 61% | 0.609 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 99.4 | 175.9 | -69 | -175.5 | 177.4 | -175.5 | 0 | 110.7 | I324 T344 | I324-K326 HydrophobicContact CG2-CG 4.48Å; K326-T344 HydrophobicContact CG-CG2 4.11Å |
| 327 | L | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 123.2 | 172.5 | -64.6 | 176.6 | 0 | 0 | 0 | 108.7 | F290 V294 T298 F302 I311 T342 V343 I345 | F290-L327 HydrophobicContact CD1-CD2 4.27Å; F290-L327 HydrophobicContact CE1-CB 4.46Å; F290-L327 HydrophobicContact CE1-CD1 3.97Å; F290-L327 HydrophobicContact CE1-CD2 3.88Å; F290-L327 HydrophobicContact CE1-CG 4.34Å; F290-L327 HydrophobicContact CZ-CD1 4.43Å; F290-L327 HydrophobicContact CZ-CD2 4.38Å; V294-L327 HydrophobicContact CG1-CD2 3.63Å; T298-L327 HydrophobicContact CG2-CD2 3.61Å; T298-L327 HydrophobicContact CG2-CG 4.42Å; F302-L327 HydrophobicContact CB-CD1 4.02Å; F302-L327 HydrophobicContact CD2-CD1 4.05Å; F302-L327 HydrophobicContact CD2-CD2 4.27Å; F302-L327 HydrophobicContact CD2-CG 4.47Å; F302-L327 HydrophobicContact CG-CD1 3.97Å; I311-L327 HydrophobicContact CD1-CD1 4.04Å; I311-L327 HydrophobicContact CG2-CD1 3.94Å; L327-T342 CarbonylContact O-C 3.58Å; L327-T342 WeakPolarHBondContact O-CA 3.12Å; L327-V343 HydrophobicContact CB-CB 4.34Å; L327-V343 PolarHBondContact N-O 2.89Å; L327-V343 PolarHBondContact O-N 3.36Å; L327-I345 HydrophobicContact CD1-CD1 3.45Å; L327-I345 VanDerWaalsContact CD1-CD1 3.45Å; L327-I345 HydrophobicContact CD1-CG1 4.46Å; L327-I345 HydrophobicContact CG-CD1 4.22Å |
| 328 | S | 93.5 | Very high | 88.7 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.5 | 167.6 | 179 | 0 | 0 | 0 | 0 | 108.8 | G291 Q293 V294 R340 A341 | G291-S328 PolarHBondContact N-O 3.09Å; Q293-S328 VanDerWaalsContact NE2-CB 3.3Å; Q293-S328 PolarHBondContact NE2-OG 3.29Å; V294-S328 WeakPolarHBondContact CG2-O 3.33Å; S328-R340 WeakPolarHBondContact OG-CG 3.45Å; S328-A341 WeakPolarHBondContact CA-O 3.38Å; S328-A341 PolarHBondContact OG-O 2.98Å |
| 329 | V | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 141.2 | -175.7 | -179.1 | 0 | 0 | 0 | 0 | 109 | F251 L273 F290 L304 I311 R340 A341 | F251-V329 HydrophobicContact CZ-CG1 4.31Å; L273-V329 HydrophobicContact CD1-CB 3.66Å; L273-V329 HydrophobicContact CD1-CG1 3.64Å; L273-V329 HydrophobicContact CD1-CG2 3.74Å; F290-V329 HydrophobicContact CD1-CG2 3.96Å; F290-V329 HydrophobicContact CE1-CG2 4.14Å; L304-V329 HydrophobicContact CD2-CG1 3.63Å; L304-V329 HydrophobicContact CD2-CG2 4.21Å; I311-V329 HydrophobicContact CD1-CG2 4.21Å; V329-R340 WeakPolarHBondContact O-CA 3.4Å; V329-A341 PolarHBondContact N-O 3.48Å; V329-A341 PolarHBondContact O-N 2.82Å |
| 330 | L | 93 | Very high | 88.5 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.7 | 173.9 | -54.5 | 176.7 | 0 | 0 | 0 | 109.4 | Y288 V289 P338 A339 R340 | Y288-L330 WeakPolarHBondContact CA-O 3.33Å; V289-L330 HydrophobicContact CG2-CB 3.96Å; V289-L330 PolarHBondContact N-O 3.14Å; V289-L330 PolarHBondContact O-N 3.07Å; L330-P338 HydrophobicContact CB-CB 4.42Å; L330-A339 WeakPolarHBondContact CA-O 3.17Å; L330-R340 HydrophobicContact CD2-CB 3.84Å; L330-R340 HydrophobicContact CD2-CG 3.91Å |
| 331 | A | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | P249 F251 A275 I286 Y288 P338 A339 | P249-A331 HydrophobicContact CB-CB 3.75Å; P249-A331 HydrophobicContact CG-CB 4.34Å; F251-A331 HydrophobicContact CD2-CB 4.34Å; F251-A331 HydrophobicContact CE1-CB 4.17Å; F251-A331 HydrophobicContact CE2-CB 3.55Å; F251-A331 HydrophobicContact CZ-CB 3.46Å; F251-A331 VanDerWaalsContact CZ-CB 3.46Å; A275-A331 HydrophobicContact CB-CB 3.93Å; I286-A331 HydrophobicContact CG2-CB 3.69Å; Y288-A331 HydrophobicContact CD1-CB 4.23Å; Y288-A331 HydrophobicContact CE1-CB 4.18Å; A331-P338 CarbonylContact O-C 3.56Å; A331-P338 VanDerWaalsContact O-CA 3.28Å; A331-P338 WeakPolarHBondContact O-CA 3.16Å; A331-P338 WeakPolarHBondContact O-CB 3.31Å; A331-A339 HydrophobicContact CB-CB 4.45Å; A331-A339 PolarHBondContact N-O 3.33Å; A331-A339 VanDerWaalsContact N-O 3.09Å; A331-A339 PolarHBondContact O-N 3.46Å |
| 332 | S | 89.8 | Confident | 88.6 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 108.7 | -172.1 | -162.3 | 0 | 0 | 0 | 0 | 110.4 | H287 | H287-S332 WeakPolarHBondContact CA-O 3.48Å; H287-S332 WeakPolarHBondContact CB-O 3.34Å; H287-S332 PolarHBondContact N-O 3.31Å; H287-S332 PolarHBondContact O-N 3.04Å |
| 333 | D | 87.5 | Confident | 88.8 | Confident | 18 Ų | 18 | 42.4 Ų | 42.4 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -58.1 | -39.4 | 159.1 | 51.1 | -12.1 | 0 | 0 | 0 | 113.8 | N245 P249 N283 S335 | N245-D333 PolarHBondContact ND2-OD2 3.47Å; P249-D333 HydrophobicContact CG-CB 4.02Å; N283-D333 WeakPolarHBondContact O-CB 3.4Å; D333-S335 VanDerWaalsContact CG-N 3.35Å; D333-S335 VanDerWaalsContact OD1-CB 3.29Å; D333-S335 WeakPolarHBondContact OD1-CB 3.47Å; D333-S335 PolarHBondContact OD1-N 3.2Å; D333-S335 PolarHBondContact OD1-OG 3.42Å; D333-S335 WeakPolarHBondContact OD2-CB 3.33Å; D333-S335 PolarHBondContact OD2-OG 2.79Å |
| 334 | G | 77.1 | Confident | 89 | Confident | 63 Ų | 63 | 41.5 Ų | 41.5 | 65% | 0.649 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 133.7 | -10.6 | -167 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 335 | S | 71.6 | Confident | 89 | Confident | 21 Ų | 21 | 37 Ų | 37 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -60.4 | 165.4 | 173.6 | 69.1 | 0 | 0 | 0 | 0 | 112.5 | N245 D333 S337 | N245-S335 WeakPolarHBondContact OD1-CA 3.09Å; N245-S335 WeakPolarHBondContact OD1-CB 3.24Å; N245-S335 PolarHBondContact OD1-N 3.09Å; D333-S335 VanDerWaalsContact CG-N 3.35Å; D333-S335 VanDerWaalsContact OD1-CB 3.29Å; D333-S335 WeakPolarHBondContact OD1-CB 3.47Å; D333-S335 PolarHBondContact OD1-N 3.2Å; D333-S335 PolarHBondContact OD1-OG 3.42Å; D333-S335 WeakPolarHBondContact OD2-CB 3.33Å; D333-S335 PolarHBondContact OD2-OG 2.79Å; S335-S337 PolarHBondContact O-N 2.82Å; S335-S337 PolarHBondContact OG-N 3.46Å |
| 336 | S | 70.9 | Confident | 89.1 | Confident | 116 Ų | 116 | 38.3 Ų | 38.3 | 81% | 0.811 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -66.8 | -12 | 175.4 | 67.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 337 | S | 80.3 | Confident | 89.2 | Confident | 69 Ų | 69 | 32.1 Ų | 32.1 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -140.1 | 66 | -160.5 | -68.5 | 0 | 0 | 0 | 0 | 113.2 | S335 | S335-S337 PolarHBondContact O-N 2.82Å; S335-S337 PolarHBondContact OG-N 3.46Å |
| 338 | P | 86.9 | Confident | 89.2 | Confident | 49 Ų | 49 | 34.4 Ų | 34.4 | 32% | 0.318 | 22% | 0.218 | S | C | . | . | trans | -61.9 | 141.5 | -176.9 | 26.6 | -36.3 | 0 | 0 | 0 | 112.7 | L330 A331 | L330-P338 HydrophobicContact CB-CB 4.42Å; A331-P338 CarbonylContact O-C 3.56Å; A331-P338 VanDerWaalsContact O-CA 3.28Å; A331-P338 WeakPolarHBondContact O-CA 3.16Å; A331-P338 WeakPolarHBondContact O-CB 3.31Å | ||
| 339 | A | 90.3 | Very high | 89.2 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 162.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P249 F251 L330 A331 | P249-A339 HydrophobicContact CB-CB 4.28Å; P249-A339 WeakPolarHBondContact O-CB 3.34Å; F251-A339 HydrophobicContact CD2-CB 3.93Å; F251-A339 HydrophobicContact CE2-CB 4.09Å; L330-A339 WeakPolarHBondContact CA-O 3.17Å; A331-A339 HydrophobicContact CB-CB 4.45Å; A331-A339 PolarHBondContact N-O 3.33Å; A331-A339 VanDerWaalsContact N-O 3.09Å; A331-A339 PolarHBondContact O-N 3.46Å |
| 340 | R | 91.5 | Very high | 89.2 | Confident | 141 Ų | 141 | 37.4 Ų | 37.4 | 53% | 0.532 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 128.2 | -177.3 | -175.5 | -178.5 | -61 | -139.2 | -4.5 | 112.3 | Q293 S328 V329 L330 | Q293-R340 VanDerWaalsContact NE2-NH1 3.16Å; S328-R340 WeakPolarHBondContact OG-CG 3.45Å; V329-R340 WeakPolarHBondContact O-CA 3.4Å; L330-R340 HydrophobicContact CD2-CB 3.84Å; L330-R340 HydrophobicContact CD2-CG 3.91Å |
| 341 | A | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 162.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F251 S254 S328 V329 | F251-A341 HydrophobicContact CB-CB 4.4Å; F251-A341 HydrophobicContact CD1-CB 3.87Å; F251-A341 HydrophobicContact CD2-CB 3.79Å; F251-A341 HydrophobicContact CE1-CB 3.98Å; F251-A341 HydrophobicContact CE2-CB 3.9Å; F251-A341 HydrophobicContact CG-CB 3.77Å; F251-A341 HydrophobicContact CZ-CB 3.99Å; S254-A341 CarbonylContact O-C 3.58Å; S254-A341 WeakPolarHBondContact O-CA 3.47Å; S328-A341 WeakPolarHBondContact CA-O 3.38Å; S328-A341 PolarHBondContact OG-O 2.98Å; V329-A341 PolarHBondContact N-O 3.48Å; V329-A341 PolarHBondContact O-N 2.82Å |
| 342 | T | 93.9 | Very high | 89.2 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 29% | 0.288 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.2 | 169.6 | -51.4 | 0 | 0 | 0 | 0 | 109.5 | S254 Q255 I256 L327 | S254-T342 PolarHBondContact O-N 2.75Å; Q255-T342 WeakPolarHBondContact CA-O 3.16Å; I256-T342 PolarHBondContact N-O 3.41Å; L327-T342 CarbonylContact O-C 3.58Å; L327-T342 WeakPolarHBondContact O-CA 3.12Å |
| 343 | V | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.3 | 173.2 | -171.9 | 0 | 0 | 0 | 0 | 108.2 | I256 V258 V271 L273 I311 L327 I345 | I256-V343 CarbonylContact O-C 3.59Å; I256-V343 VanDerWaalsContact O-CA 3.22Å; I256-V343 WeakPolarHBondContact O-CA 3.17Å; V258-V343 HydrophobicContact CG2-CG1 3.91Å; V271-V343 HydrophobicContact CG1-CG1 3.96Å; V271-V343 HydrophobicContact CG1-CG2 4.49Å; L273-V343 HydrophobicContact CD1-CG2 4.44Å; L273-V343 HydrophobicContact CD2-CG2 3.81Å; I311-V343 HydrophobicContact CD1-CG2 4.02Å; L327-V343 HydrophobicContact CB-CB 4.34Å; L327-V343 PolarHBondContact N-O 2.89Å; L327-V343 PolarHBondContact O-N 3.36Å; V343-I345 HydrophobicContact CG1-CG1 4.05Å |
| 344 | T | 95.1 | Very high | 89.6 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 117 | 166.3 | -41.9 | 0 | 0 | 0 | 0 | 107.9 | I256 D257 V258 I324 K326 | I256-T344 PolarHBondContact O-N 2.76Å; D257-T344 WeakPolarHBondContact CA-O 3.29Å; D257-T344 WeakPolarHBondContact OD1-CB 3.31Å; D257-T344 PolarHBondContact OD1-OG1 3.49Å; V258-T344 PolarHBondContact N-O 2.68Å; I324-T344 HydrophobicContact CG2-CG2 3.57Å; K326-T344 HydrophobicContact CG-CG2 4.11Å |
| 345 | I | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 110.4 | 170.1 | -57.7 | 171.4 | 0 | 0 | 0 | 106.8 | I260 V270 F302 I324 H325 L327 V343 | I260-I345 HydrophobicContact CG2-CG2 3.42Å; I260-I345 VanDerWaalsContact CG2-CG2 3.42Å; V270-I345 HydrophobicContact CG1-CD1 3.78Å; V270-I345 HydrophobicContact CG1-CG1 3.96Å; V270-I345 HydrophobicContact CG1-CG2 4.46Å; F302-I345 HydrophobicContact CD1-CD1 3.79Å; F302-I345 HydrophobicContact CD2-CD1 4.18Å; F302-I345 HydrophobicContact CE1-CD1 3.54Å; F302-I345 HydrophobicContact CE1-CG2 4.39Å; F302-I345 HydrophobicContact CE2-CD1 3.96Å; F302-I345 HydrophobicContact CG-CD1 4.1Å; F302-I345 HydrophobicContact CZ-CB 4.5Å; F302-I345 HydrophobicContact CZ-CD1 3.63Å; F302-I345 HydrophobicContact CZ-CG2 4.1Å; I324-I345 WeakPolarHBondContact CA-O 3.44Å; H325-I345 HydrophobicContact CB-CB 4.31Å; H325-I345 PolarHBondContact N-O 3.07Å; H325-I345 PolarHBondContact O-N 2.81Å; L327-I345 HydrophobicContact CD1-CD1 3.45Å; L327-I345 VanDerWaalsContact CD1-CD1 3.45Å; L327-I345 HydrophobicContact CD1-CG1 4.46Å; L327-I345 HydrophobicContact CG-CD1 4.22Å; V343-I345 HydrophobicContact CG1-CG1 4.05Å |
| 346 | N | 94.7 | Very high | 91.6 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 111.3 | 170.4 | -62.2 | -34.9 | 0 | 0 | 0 | 107.6 | V258 H259 I260 | V258-N346 PolarHBondContact O-N 3.13Å; H259-N346 WeakPolarHBondContact CA-O 3.4Å; H259-N346 PolarHBondContact CE1-ND2 2.76Å; H259-N346 PolarHBondContact NE2-ND2 3.34Å; H259-N346 VanDerWaalsContact NE2-ND2 3.13Å; I260-N346 PolarHBondContact N-O 3.23Å; I260-N346 VanDerWaalsContact N-O 3.15Å |
| 347 | V | 94.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 127.7 | 174.9 | -170.4 | 0 | 0 | 0 | 0 | 108 | I260 E262 L317 R319 A323 | I260-V347 CarbonylContact O-C 3.59Å; I260-V347 WeakPolarHBondContact O-CA 3.18Å; E262-V347 HydrophobicContact CB-CG1 3.57Å; L317-V347 HydrophobicContact CB-CG1 4.31Å; L317-V347 HydrophobicContact CD1-CG2 4.37Å; R319-V347 HydrophobicContact CB-CB 4.3Å; R319-V347 HydrophobicContact CB-CG1 3.93Å; R319-V347 HydrophobicContact CG-CB 4.29Å; R319-V347 HydrophobicContact CG-CG1 4.36Å; A323-V347 PolarHBondContact O-N 3.37Å |
| 348 | T | 93.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 30% | 0.301 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 131.3 | -178.2 | 61 | 0 | 0 | 0 | 0 | 111.6 | H259 I260 P261 E262 | H259-T348 HydrophobicContact CB-CG2 3.96Å; I260-T348 PolarHBondContact O-N 3.23Å; I260-T348 PolarHBondContact O-OG1 3.43Å; P261-T348 WeakPolarHBondContact CA-O 3.31Å; P261-T348 VanDerWaalsContact CA-OG1 3.23Å; P261-T348 WeakPolarHBondContact CA-OG1 3.47Å; E262-T348 PolarHBondContact N-O 2.69Å |
| 349 | D | 93.8 | Very high | 93.6 | Very high | 37 Ų | 37 | 37.3 Ų | 37.3 | 20% | 0.198 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -51.9 | 131.1 | -177.6 | -161.8 | 109.8 | 0 | 0 | 0 | 114.4 | E262 R319 T392 N395 | E262-D349 VanDerWaalsContact OE1-CA 3.27Å; E262-D349 WeakPolarHBondContact OE1-CA 3.41Å; R319-D349 IonicContact CZ-OD1 2.83Å; R319-D349 IonicContact NE-OD1 3.45Å; R319-D349 PolarHBondContact NE-OD1 3.18Å; R319-D349 VanDerWaalsContact NE-OD1 3.1Å; R319-D349 IonicContact NH1-OD1 3.49Å; R319-D349 PolarHBondContact NH1-OD1 3.2Å; R319-D349 IonicContact NH2-OD1 3.47Å; R319-D349 PolarHBondContact NH2-OD1 2.77Å; D349-T392 WeakPolarHBondContact OD1-CA 3.19Å; D349-T392 WeakPolarHBondContact OD1-CB 3.29Å; D349-T392 PolarHBondContact OD1-N 3.19Å; D349-T392 PolarHBondContact OD1-OG1 2.95Å; D349-N395 WeakPolarHBondContact OD2-CB 3.25Å; D349-N395 PolarHBondContact OD2-ND2 3.41Å |
| 350 | V | 93.6 | Very high | 93.7 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | trans | -126.6 | 135.2 | 173.4 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | P261 E262 N263 D352 | P261-V350 HydrophobicContact CB-CG2 3.83Å; E262-V350 HydrophobicContact CG-CB 4.13Å; E262-V350 HydrophobicContact CG-CG2 4.14Å; E262-V350 PolarHBondContact OE1-N 2.75Å; N263-V350 HydrophobicContact CB-CG1 4.46Å; N263-V350 HydrophobicContact CB-CG2 4.48Å; V350-D352 PolarHBondContact O-N 2.86Å | ||
| 351 | N | 93.6 | Very high | 93.7 | Very high | 18 Ų | 18 | 40.1 Ų | 40.1 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -69.5 | 88.5 | -177.2 | -159.8 | 106.3 | 0 | 0 | 0 | 112.2 | D391 N395 D442 G444 L448 | N351-D391 WeakPolarHBondContact CA-OD2 3.46Å; N351-N395 HydrophobicContact CB-CB 3.95Å; N351-N395 PolarHBondContact N-ND2 2.97Å; N351-N395 WeakPolarHBondContact OD1-CA 3.43Å; N351-N395 WeakPolarHBondContact OD1-CB 3.22Å; N351-N395 PolarHBondContact OD1-OD1 3.2Å; N351-D442 PolarHBondContact ND2-OD2 3.41Å; N351-D442 PolarHBondContact OD1-OD2 2.87Å; N351-G444 VanDerWaalsContact OD1-CA 3.28Å; N351-G444 WeakPolarHBondContact OD1-CA 3.4Å; N351-L448 WeakPolarHBondContact ND2-CG 3.06Å |
| 352 | D | 91.8 | Very high | 93.6 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 49% | 0.492 | 23% | 0.23 | S | C | . | . | trans | -129.6 | -16.3 | -174.1 | 105.9 | -15.8 | 0 | 0 | 0 | 114.9 | V350 D391 | V350-D352 PolarHBondContact O-N 2.86Å; D352-D391 PolarHBondContact N-OD2 3.33Å | ||
| 353 | N | 92.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -89.8 | 133 | 166.6 | -64.8 | -91.9 | 0 | 0 | 0 | 110.5 | R390 D391 | N353-R390 HydrophobicContact CB-CB 4.01Å; N353-R390 WeakPolarHBondContact OD1-CD 3.25Å; N353-D391 VanDerWaalsContact CB-OD1 3.24Å; N353-D391 WeakPolarHBondContact CB-OD1 3.13Å; N353-D391 PolarHBondContact N-OD1 2.81Å; N353-D391 PolarHBondContact N-OD2 3.5Å; N353-D391 PolarHBondContact ND2-OD1 2.89Å |
| 354 | P | 93.5 | Very high | 93.1 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 41% | 0.409 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 149.4 | 172.5 | 32.3 | -33.5 | 0 | 0 | 0 | 112 | N356 L448 | P354-N356 PolarHBondContact O-N 2.78Å; P354-L448 HydrophobicContact CB-CB 4.12Å; P354-L448 HydrophobicContact CB-CD1 4.46Å |
| 355 | P | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 117.5 | 179 | -24.5 | 28.6 | 0 | 0 | 0 | 113.9 | D389 V398 A440 D442 Q450 | P355-D389 VanDerWaalsContact CA-OD2 3.25Å; P355-D389 WeakPolarHBondContact CA-OD2 3.12Å; P355-D389 WeakPolarHBondContact CD-OD2 3.23Å; P355-D389 VanDerWaalsContact CG-OD2 3.25Å; P355-D389 WeakPolarHBondContact CG-OD2 3.15Å; P355-V398 HydrophobicContact CB-CB 4.48Å; P355-V398 HydrophobicContact CB-CG1 3.77Å; P355-V398 HydrophobicContact CB-CG2 3.84Å; P355-V398 HydrophobicContact CG-CG1 4.16Å; P355-V398 HydrophobicContact CG-CG2 4.11Å; P355-A440 HydrophobicContact CB-CB 3.9Å; P355-D442 HydrophobicContact CG-CB 4Å; P355-Q450 WeakPolarHBondContact O-CB 3.48Å; P355-Q450 PolarHBondContact O-OE1 3.31Å |
| 356 | N | 94.2 | Very high | 92.7 | Very high | 81 Ų | 81 | 56 Ų | 56 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 146.3 | 174.7 | -167 | 8 | 0 | 0 | 0 | 111.3 | P354 V387 S388 | P354-N356 PolarHBondContact O-N 2.78Å; N356-V387 CarbonylContact O-C 3.58Å; N356-V387 VanDerWaalsContact O-CA 3.28Å; N356-V387 WeakPolarHBondContact O-CA 3.18Å; N356-S388 WeakPolarHBondContact CB-O 3.21Å; N356-S388 PolarHBondContact N-O 2.82Å; N356-S388 PolarHBondContact O-N 2.96Å |
| 357 | I | 95.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.087 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 105.2 | 178.9 | -49.6 | 178 | 0 | 0 | 0 | 109.3 | I385 V387 A440 Q450 A452 | I357-I385 HydrophobicContact CG2-CG2 3.8Å; I357-V387 HydrophobicContact CG1-CG1 4.44Å; I357-A440 HydrophobicContact CD1-CB 3.61Å; I357-A440 HydrophobicContact CG1-CB 3.62Å; I357-Q450 HydrophobicContact CD1-CB 4.39Å; I357-Q450 HydrophobicContact CG1-CB 4.49Å; I357-A452 HydrophobicContact CB-CB 4.43Å; I357-A452 HydrophobicContact CD1-CB 4.14Å; I357-A452 HydrophobicContact CG2-CB 4.06Å |
| 358 | D | 93.9 | Very high | 92 | Very high | 61 Ų | 61 | 63.3 Ų | 63.3 | 33% | 0.326 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 111.3 | 170 | 178.5 | 12.1 | 0 | 0 | 0 | 109.6 | R360 I385 T386 | D358-R360 WeakPolarHBondContact OD1-CG 3.34Å; D358-R360 IonicContact OD1-NE 2.61Å; D358-R360 IonicContact OD2-CZ 2.68Å; D358-R360 IonicContact OD2-NE 3.44Å; D358-R360 PolarHBondContact OD2-NE 2.81Å; D358-R360 IonicContact OD2-NH2 2.64Å; D358-R360 PolarHBondContact OD2-NH2 3.03Å; D358-I385 WeakPolarHBondContact O-CA 3.18Å; D358-T386 PolarHBondContact N-O 2.74Å; D358-T386 PolarHBondContact O-N 2.92Å |
| 359 | L | 92.9 | Very high | 92 | Very high | 32 Ų | 32 | 61.7 Ų | 61.7 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 105.1 | -173.8 | -165.7 | 162.1 | 0 | 0 | 0 | 110.2 | Y361 A383 I385 I438 A452 V454 | L359-Y361 HydrophobicContact CD2-CD1 4.02Å; L359-Y361 HydrophobicContact CD2-CD2 3.77Å; L359-Y361 HydrophobicContact CD2-CE1 3.69Å; L359-Y361 HydrophobicContact CD2-CE2 3.43Å; L359-Y361 VanDerWaalsContact CD2-CE2 3.43Å; L359-Y361 HydrophobicContact CD2-CG 4.06Å; L359-A383 HydrophobicContact CD2-CB 3.69Å; L359-A383 HydrophobicContact CG-CB 4.37Å; L359-I385 HydrophobicContact CD1-CG1 4.21Å; L359-I385 HydrophobicContact CG-CG1 3.9Å; L359-I438 HydrophobicContact CD1-CD1 3.66Å; L359-A452 HydrophobicContact CD1-CB 4.28Å; L359-V454 HydrophobicContact CD1-CG2 3.82Å |
| 360 | R | 91.7 | Very high | 92.1 | Very high | 147 Ų | 147 | 59.9 Ų | 59.9 | 56% | 0.555 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 100.9 | -175.4 | -57.3 | -175.9 | -172.1 | 174.7 | 6 | 110.1 | D358 A383 L384 | D358-R360 WeakPolarHBondContact OD1-CG 3.34Å; D358-R360 IonicContact OD1-NE 2.61Å; D358-R360 IonicContact OD2-CZ 2.68Å; D358-R360 IonicContact OD2-NE 3.44Å; D358-R360 PolarHBondContact OD2-NE 2.81Å; D358-R360 IonicContact OD2-NH2 2.64Å; D358-R360 PolarHBondContact OD2-NH2 3.03Å; R360-A383 CarbonylContact O-C 3.59Å; R360-A383 WeakPolarHBondContact O-CA 3.14Å; R360-L384 PolarHBondContact N-O 3.14Å; R360-L384 PolarHBondContact O-N 2.9Å |
| 361 | Y | 91.2 | Very high | 92.1 | Very high | 71 Ų | 71 | 61.3 Ų | 61.3 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 134.6 | 177.9 | -68.1 | -82.7 | 0 | 0 | 0 | 112.3 | L359 P365 V370 A383 | L359-Y361 HydrophobicContact CD2-CD1 4.02Å; L359-Y361 HydrophobicContact CD2-CD2 3.77Å; L359-Y361 HydrophobicContact CD2-CE1 3.69Å; L359-Y361 HydrophobicContact CD2-CE2 3.43Å; L359-Y361 VanDerWaalsContact CD2-CE2 3.43Å; L359-Y361 HydrophobicContact CD2-CG 4.06Å; Y361-P365 HydrophobicContact CD1-CG 4.28Å; Y361-P365 HydrophobicContact CD2-CG 3.62Å; Y361-P365 HydrophobicContact CE2-CG 3.87Å; Y361-P365 HydrophobicContact CG-CG 3.84Å; Y361-V370 HydrophobicContact CD1-CG2 3.49Å; Y361-V370 VanDerWaalsContact CD1-CG2 3.49Å; Y361-V370 HydrophobicContact CE1-CG2 3.36Å; Y361-A383 HydrophobicContact CD1-CB 4.11Å |
| 362 | I | 91.3 | Very high | 92.2 | Very high | 94 Ų | 94 | 60.5 Ų | 60.5 | 48% | 0.482 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -87.5 | -39.9 | 169.5 | -61.2 | 167 | 0 | 0 | 0 | 108.6 | K381 I382 L419 | I362-K381 HydrophobicContact CD1-CB 3.99Å; I362-I382 PolarHBondContact N-O 3.24Å; I362-L419 HydrophobicContact CD1-CD1 3.71Å |
| 363 | I | 90.3 | Very high | 92.3 | Very high | 51 Ų | 51 | 57 Ų | 57 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -97.3 | 105.7 | 172.5 | -58.6 | 172.4 | 0 | 0 | 0 | 107.7 | P365 V370 L372 T380 I382 | I363-P365 WeakPolarHBondContact O-CD 3.28Å; I363-V370 HydrophobicContact CB-CG1 4.17Å; I363-V370 HydrophobicContact CG2-CG1 3.9Å; I363-L372 HydrophobicContact CD1-CD2 3.44Å; I363-L372 VanDerWaalsContact CD1-CD2 3.44Å; I363-T380 HydrophobicContact CD1-CG2 4.21Å; I363-I382 PolarHBondContact N-O 3.15Å |
| 364 | S | 87.5 | Confident | 92.4 | Very high | 103 Ų | 103 | 56.4 Ų | 56.4 | 72% | 0.72 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 118.1 | -172.6 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 365 | P | 91.6 | Very high | 92.3 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 136.7 | -176.4 | 31.3 | -36.4 | 0 | 0 | 0 | 112.2 | Y361 I363 T369 V370 | Y361-P365 HydrophobicContact CD1-CG 4.28Å; Y361-P365 HydrophobicContact CD2-CG 3.62Å; Y361-P365 HydrophobicContact CE2-CG 3.87Å; Y361-P365 HydrophobicContact CG-CG 3.84Å; I363-P365 WeakPolarHBondContact O-CD 3.28Å; P365-T369 CarbonylContact C-O 3.52Å; P365-T369 WeakPolarHBondContact CA-O 3.47Å; P365-T369 WeakPolarHBondContact CB-O 3.47Å; P365-V370 HydrophobicContact CB-CG2 4.17Å |
| 366 | I | 90.1 | Very high | 92.2 | Very high | 111 Ų | 111 | 62.4 Ų | 62.4 | 57% | 0.569 | 33% | 0.326 | S | S | * | . | B | Isolated β-bridge | trans | -90.4 | 122.2 | 172.9 | -56.1 | 174.3 | 0 | 0 | 0 | 107.7 | G368 T369 F371 | I366-G368 PolarHBondContact O-N 3.03Å; I366-G368 VanDerWaalsContact O-N 3.11Å; I366-T369 PolarHBondContact N-O 2.77Å; I366-T369 PolarHBondContact O-N 3.08Å; I366-F371 HydrophobicContact CB-CD2 4.39Å; I366-F371 HydrophobicContact CB-CE2 4.01Å; I366-F371 HydrophobicContact CD1-CD2 4.44Å |
| 367 | N | 89.6 | Confident | 92.2 | Very high | 159 Ų | 159 | 62.3 Ų | 62.3 | 85% | 0.85 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 32.6 | -176.1 | -61 | -33.6 | 0 | 0 | 0 | 114.2 | ||
| 368 | G | 86.3 | Confident | 92.1 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 40% | 0.402 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 20.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I366 | I366-G368 PolarHBondContact O-N 3.03Å; I366-G368 VanDerWaalsContact O-N 3.11Å |
| 369 | T | 93.2 | Very high | 92 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 9% | 0.086 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -122.2 | 129.5 | 172.2 | -50.5 | 0 | 0 | 0 | 0 | 109.4 | P365 I366 F371 R455 R457 | P365-T369 CarbonylContact C-O 3.52Å; P365-T369 WeakPolarHBondContact CA-O 3.47Å; P365-T369 WeakPolarHBondContact CB-O 3.47Å; I366-T369 PolarHBondContact N-O 2.77Å; I366-T369 PolarHBondContact O-N 3.08Å; T369-F371 HydrophobicContact CG2-CE2 4.07Å; T369-F371 HydrophobicContact CG2-CZ 4.31Å; T369-F371 WeakPolarHBondContact O-CD2 3.46Å; T369-R455 HydrophobicContact CG2-CB 4.04Å; T369-R457 HydrophobicContact CG2-CB 4.12Å; T369-R457 HydrophobicContact CG2-CG 3.84Å |
| 370 | V | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 141 | 169.6 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | Y361 I363 P365 L372 I382 R455 V456 R457 | Y361-V370 HydrophobicContact CD1-CG2 3.49Å; Y361-V370 VanDerWaalsContact CD1-CG2 3.49Å; Y361-V370 HydrophobicContact CE1-CG2 3.36Å; I363-V370 HydrophobicContact CB-CG1 4.17Å; I363-V370 HydrophobicContact CG2-CG1 3.9Å; P365-V370 HydrophobicContact CB-CG2 4.17Å; V370-L372 HydrophobicContact CG1-CD2 3.97Å; V370-L372 HydrophobicContact CG1-CG 4.16Å; V370-I382 HydrophobicContact CG1-CG2 4.16Å; V370-I382 HydrophobicContact CG2-CG2 4.1Å; V370-R455 PolarHBondContact N-O 2.63Å; V370-V456 HydrophobicContact CB-CG2 4.48Å; V370-V456 CarbonylContact O-C 3.55Å; V370-V456 WeakPolarHBondContact O-CA 3.18Å; V370-R457 PolarHBondContact O-N 2.82Å |
| 371 | F | 94.8 | Very high | 92.2 | Very high | 63 Ų | 63 | 63.9 Ų | 63.9 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.4 | 171.2 | -68.9 | -99.4 | 0 | 0 | 0 | 107.8 | I366 T369 R457 E459 | I366-F371 HydrophobicContact CB-CD2 4.39Å; I366-F371 HydrophobicContact CB-CE2 4.01Å; I366-F371 HydrophobicContact CD1-CD2 4.44Å; T369-F371 HydrophobicContact CG2-CE2 4.07Å; T369-F371 HydrophobicContact CG2-CZ 4.31Å; T369-F371 WeakPolarHBondContact O-CD2 3.46Å; F371-R457 WeakPolarHBondContact CA-O 3.12Å; F371-R457 HydrophobicContact CD1-CB 4.06Å; F371-R457 HydrophobicContact CE1-CB 3.96Å; F371-E459 HydrophobicContact CB-CG 4.06Å; F371-E459 HydrophobicContact CD1-CG 3.97Å |
| 372 | L | 95.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.6 | 176.9 | -61.6 | -179.4 | 0 | 0 | 0 | 108.5 | I363 V370 T380 I382 F408 T422 L426 V456 R457 L458 E459 | I363-L372 HydrophobicContact CD1-CD2 3.44Å; I363-L372 VanDerWaalsContact CD1-CD2 3.44Å; V370-L372 HydrophobicContact CG1-CD2 3.97Å; V370-L372 HydrophobicContact CG1-CG 4.16Å; L372-T380 HydrophobicContact CD2-CG2 4.33Å; L372-I382 HydrophobicContact CD1-CD1 3.88Å; L372-I382 HydrophobicContact CD1-CG1 4.14Å; L372-I382 HydrophobicContact CD2-CG1 4.33Å; L372-F408 HydrophobicContact CD1-CE1 3.96Å; L372-T422 HydrophobicContact CD1-CG2 4.28Å; L372-L426 HydrophobicContact CB-CD1 4.21Å; L372-L426 HydrophobicContact CD1-CD1 3.78Å; L372-V456 HydrophobicContact CB-CG1 4.44Å; L372-V456 HydrophobicContact CD1-CG1 3.62Å; L372-V456 HydrophobicContact CG-CG1 3.85Å; L372-R457 PolarHBondContact N-O 3.44Å; L372-R457 VanDerWaalsContact N-O 3.1Å; L372-L458 HydrophobicContact CB-CD2 4.25Å; L372-L458 CarbonylContact O-C 3.51Å; L372-L458 VanDerWaalsContact O-CA 3.31Å; L372-L458 WeakPolarHBondContact O-CA 3.12Å; L372-E459 PolarHBondContact O-N 2.86Å |
| 373 | S | 94.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 56 Ų | 56 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 143.2 | 167.3 | 173 | 0 | 0 | 0 | 0 | 108.5 | K375 D376 E461 | S373-K375 PolarHBondContact O-N 2.95Å; S373-K375 WeakPolarHBondContact OG-CB 3.22Å; S373-K375 PolarHBondContact OG-N 2.88Å; S373-D376 PolarHBondContact N-OD2 2.79Å; S373-D376 WeakPolarHBondContact O-CB 3.16Å; S373-D376 PolarHBondContact O-N 2.92Å; S373-E461 VanDerWaalsContact OG-CD 3.31Å; S373-E461 WeakPolarHBondContact OG-CG 3.03Å; S373-E461 PolarHBondContact OG-OE1 2.72Å |
| 374 | E | 94.2 | Very high | 92.7 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.3 | 176.7 | 65.8 | -158.2 | 115.4 | 0 | 0 | 113.4 | D376 L426 Y428 L458 E461 | E374-D376 PolarHBondContact O-N 2.9Å; E374-L426 HydrophobicContact CB-CB 4.26Å; E374-Y428 VanDerWaalsContact CD-CB 3.46Å; E374-Y428 WeakPolarHBondContact OE1-CB 3.3Å; E374-Y428 WeakPolarHBondContact OE2-CB 2.97Å; E374-Y428 PolarHBondContact OE2-N 2.83Å; E374-L458 HydrophobicContact CB-CD1 4.45Å; E374-E461 HydrophobicContact CG-CB 4.24Å; E374-E461 HydrophobicContact CG-CG 4.24Å; E374-E461 PolarHBondContact OE1-N 2.9Å |
| 375 | K | 91.6 | Very high | 93 | Very high | 144 Ų | 144 | 51.3 Ų | 51.3 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -4.6 | 173.5 | -172.9 | 177.4 | -176.7 | 167.6 | 0 | 113.3 | S373 E461 | S373-K375 PolarHBondContact O-N 2.95Å; S373-K375 WeakPolarHBondContact OG-CB 3.22Å; S373-K375 PolarHBondContact OG-N 2.88Å; K375-E461 HydrophobicContact CB-CG 3.97Å; K375-E461 VanDerWaalsContact CD-CD 3.43Å; K375-E461 HydrophobicContact CD-CG 3.91Å; K375-E461 WeakPolarHBondContact CD-OE2 3.42Å; K375-E461 WeakPolarHBondContact CE-OE2 3.18Å; K375-E461 IonicContact NZ-OE2 3.57Å; K375-E461 PolarHBondContact NZ-OE2 3.19Å |
| 376 | D | 93.1 | Very high | 93.2 | Very high | 45 Ų | 45 | 50.7 Ų | 50.7 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 129.3 | 171.1 | -83.5 | -41.7 | 0 | 0 | 0 | 110 | S373 E374 T380 | S373-D376 PolarHBondContact N-OD2 2.79Å; S373-D376 WeakPolarHBondContact O-CB 3.16Å; S373-D376 PolarHBondContact O-N 2.92Å; E374-D376 PolarHBondContact O-N 2.9Å; D376-T380 HydrophobicContact CB-CG2 4.06Å |
| 377 | P | 93.9 | Very high | 93.4 | Very high | 80 Ų | 80 | 45.5 Ų | 45.5 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -67.4 | 161.9 | -175 | 27.2 | -35.5 | 0 | 0 | 0 | 112.8 | T380 T422 | P377-T380 WeakPolarHBondContact CD-OG1 3.02Å; P377-T380 WeakPolarHBondContact O-CB 3.15Å; P377-T380 PolarHBondContact O-N 3.04Å; P377-T380 VanDerWaalsContact O-N 3.17Å; P377-T380 PolarHBondContact O-OG1 2.92Å; P377-T422 PolarHBondContact O-OG1 3.45Å |
| 378 | I | 92.3 | Very high | 93.5 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 40% | 0.395 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 140.6 | 168.8 | -44.3 | -175.5 | 0 | 0 | 0 | 109.1 | T422 L425 | I378-T422 WeakPolarHBondContact CA-OG1 3.31Å; I378-T422 WeakPolarHBondContact CG2-O 3.43Å; I378-L425 HydrophobicContact CD1-CD2 4.38Å; I378-L425 HydrophobicContact CD1-CG 4.24Å; I378-L425 HydrophobicContact CG1-CD2 3.8Å; I378-L425 HydrophobicContact CG1-CG 4.11Å |
| 379 | N | 92.9 | Very high | 93.9 | Very high | 76 Ų | 76 | 40.1 Ų | 40.1 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 23.8 | -170.6 | -39.6 | -103.8 | 0 | 0 | 0 | 114.7 | E421 T422 | N379-E421 PolarHBondContact OD1-OE1 2.69Å; N379-T422 WeakPolarHBondContact CA-O 3.44Å; N379-T422 PolarHBondContact N-O 3.19Å; N379-T422 PolarHBondContact N-OG1 2.83Å |
| 380 | T | 94.2 | Very high | 93.9 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 12% | 0.117 | 24% | 0.238 | C | C | . | . | trans | -67.4 | 131.5 | 168.2 | -78 | 0 | 0 | 0 | 0 | 110.5 | I363 L372 D376 P377 E421 T422 | I363-T380 HydrophobicContact CD1-CG2 4.21Å; L372-T380 HydrophobicContact CD2-CG2 4.33Å; D376-T380 HydrophobicContact CB-CG2 4.06Å; P377-T380 WeakPolarHBondContact CD-OG1 3.02Å; P377-T380 WeakPolarHBondContact O-CB 3.15Å; P377-T380 PolarHBondContact O-N 3.04Å; P377-T380 VanDerWaalsContact O-N 3.17Å; P377-T380 PolarHBondContact O-OG1 2.92Å; T380-E421 WeakPolarHBondContact O-CA 3.39Å; T380-E421 VanDerWaalsContact O-CB 3.25Å; T380-E421 WeakPolarHBondContact O-CB 3.11Å; T380-T422 PolarHBondContact N-OG1 2.96Å; T380-T422 PolarHBondContact O-N 2.75Å; T380-T422 VanDerWaalsContact O-N 3.12Å | ||
| 381 | K | 93.6 | Very high | 93.9 | Very high | 118 Ų | 118 | 48.3 Ų | 48.3 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 108.2 | -160.7 | -59.4 | 179 | -175 | 170.4 | 0 | 111.6 | I362 L419 | I362-K381 HydrophobicContact CD1-CB 3.99Å; K381-L419 HydrophobicContact CB-CD1 4.3Å; K381-L419 HydrophobicContact CD-CD2 4.18Å; K381-L419 HydrophobicContact CG-CD2 4.19Å |
| 382 | I | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -50.7 | -168.6 | -62.3 | 163.1 | 0 | 0 | 0 | 111.6 | I362 I363 V370 L372 F408 L420 T422 | I362-I382 PolarHBondContact N-O 3.24Å; I363-I382 PolarHBondContact N-O 3.15Å; V370-I382 HydrophobicContact CG1-CG2 4.16Å; V370-I382 HydrophobicContact CG2-CG2 4.1Å; L372-I382 HydrophobicContact CD1-CD1 3.88Å; L372-I382 HydrophobicContact CD1-CG1 4.14Å; L372-I382 HydrophobicContact CD2-CG1 4.33Å; I382-F408 HydrophobicContact CD1-CD1 3.41Å; I382-F408 VanDerWaalsContact CD1-CD1 3.41Å; I382-F408 HydrophobicContact CD1-CE1 3.62Å; I382-L420 HydrophobicContact CB-CD2 4.09Å; I382-L420 HydrophobicContact CB-CG 4.14Å; I382-L420 HydrophobicContact CD1-CG 4.3Å; I382-L420 HydrophobicContact CG2-CD2 3.87Å; I382-L420 HydrophobicContact CG2-CG 4.47Å; I382-L420 PolarHBondContact N-O 3.22Å; I382-T422 HydrophobicContact CD1-CG2 4.32Å |
| 383 | A | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 150.1 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L359 R360 Y361 L420 | L359-A383 HydrophobicContact CD2-CB 3.69Å; L359-A383 HydrophobicContact CG-CB 4.37Å; R360-A383 CarbonylContact O-C 3.59Å; R360-A383 WeakPolarHBondContact O-CA 3.14Å; Y361-A383 HydrophobicContact CD1-CB 4.11Å; A383-L420 HydrophobicContact CB-CB 4.36Å; A383-L420 HydrophobicContact CB-CD2 4.4Å; A383-L420 PolarHBondContact O-N 2.89Å |
| 384 | L | 94.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.5 | 164.6 | -177.9 | 67.6 | 0 | 0 | 0 | 109 | R360 | R360-L384 PolarHBondContact N-O 3.14Å; R360-L384 PolarHBondContact O-N 2.9Å |
| 385 | I | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.1 | 179.2 | -61.9 | 143.2 | 0 | 0 | 0 | 108 | I357 D358 L359 V387 L410 Q417 Y418 L420 I438 | I357-I385 HydrophobicContact CG2-CG2 3.8Å; D358-I385 WeakPolarHBondContact O-CA 3.18Å; L359-I385 HydrophobicContact CD1-CG1 4.21Å; L359-I385 HydrophobicContact CG-CG1 3.9Å; I385-V387 HydrophobicContact CG2-CG1 4.23Å; I385-L410 HydrophobicContact CD1-CD2 3.41Å; I385-L410 VanDerWaalsContact CD1-CD2 3.41Å; I385-Q417 WeakPolarHBondContact O-CA 3.07Å; I385-Y418 PolarHBondContact N-O 3.15Å; I385-Y418 PolarHBondContact O-N 3.42Å; I385-L420 HydrophobicContact CD1-CB 3.88Å; I385-I438 HydrophobicContact CD1-CD1 3.5Å; I385-I438 HydrophobicContact CD1-CG1 4.47Å; I385-I438 HydrophobicContact CG1-CD1 4.13Å |
| 386 | T | 94.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 18% | 0.184 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.2 | 166.7 | -51.5 | 0 | 0 | 0 | 0 | 107.7 | D358 Q417 | D358-T386 PolarHBondContact N-O 2.74Å; D358-T386 PolarHBondContact O-N 2.92Å; T386-Q417 HydrophobicContact CG2-CG 4.15Å |
| 387 | V | 94.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 146.4 | 166.9 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | N356 I357 I385 V398 C400 N416 Y418 A440 | N356-V387 CarbonylContact O-C 3.58Å; N356-V387 VanDerWaalsContact O-CA 3.28Å; N356-V387 WeakPolarHBondContact O-CA 3.18Å; I357-V387 HydrophobicContact CG1-CG1 4.44Å; I385-V387 HydrophobicContact CG2-CG1 4.23Å; V387-V398 HydrophobicContact CB-CB 4.43Å; V387-V398 HydrophobicContact CB-CG1 3.96Å; V387-V398 HydrophobicContact CG1-CG1 4.41Å; V387-V398 HydrophobicContact CG2-CB 3.84Å; V387-V398 HydrophobicContact CG2-CG1 3.73Å; V387-V398 HydrophobicContact CG2-CG2 4.42Å; V387-C400 HydrophobicContact CG1-CB 4.15Å; V387-N416 HydrophobicContact CG2-CB 3.74Å; V387-N416 PolarHBondContact N-O 2.92Å; V387-N416 WeakPolarHBondContact O-CB 3.41Å; V387-Y418 HydrophobicContact CG2-CE2 3.98Å; V387-A440 HydrophobicContact CG1-CB 3.99Å |
| 388 | S | 93.1 | Very high | 92.6 | Very high | 57 Ų | 57 | 54.8 Ų | 54.8 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 126.1 | 176.4 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | N356 | N356-S388 WeakPolarHBondContact CB-O 3.21Å; N356-S388 PolarHBondContact N-O 2.82Å; N356-S388 PolarHBondContact O-N 2.96Å |
| 389 | D | 94.7 | Very high | 92.6 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 15% | 0.15 | 28% | 0.284 | C | S | . | . | trans | -96.5 | 172.3 | 165.8 | -137.4 | -64.3 | 0 | 0 | 0 | 111.3 | P355 D391 V398 | P355-D389 VanDerWaalsContact CA-OD2 3.25Å; P355-D389 WeakPolarHBondContact CA-OD2 3.12Å; P355-D389 WeakPolarHBondContact CD-OD2 3.23Å; P355-D389 VanDerWaalsContact CG-OD2 3.25Å; P355-D389 WeakPolarHBondContact CG-OD2 3.15Å; D389-D391 PolarHBondContact OD1-N 2.9Å; D389-V398 HydrophobicContact CB-CG2 3.91Å | ||
| 390 | R | 93.2 | Very high | 92.6 | Very high | 177 Ų | 177 | 52.8 Ų | 52.8 | 67% | 0.668 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -110.3 | -29.2 | 173.1 | -66.9 | 178.9 | 165.9 | -164.2 | -3.8 | 112.6 | R319 E320 N353 | R319-R390 PolarHBondContact NH2-O 2.96Å; E320-R390 HydrophobicContact CG-CB 3.82Å; N353-R390 HydrophobicContact CB-CB 4.01Å; N353-R390 WeakPolarHBondContact OD1-CD 3.25Å |
| 391 | D | 94.2 | Very high | 92.5 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -64.8 | 171.6 | 176 | -59.2 | -1.6 | 0 | 0 | 0 | 109.9 | N351 D352 N353 D389 N395 G396 | N351-D391 WeakPolarHBondContact CA-OD2 3.46Å; D352-D391 PolarHBondContact N-OD2 3.33Å; N353-D391 VanDerWaalsContact CB-OD1 3.24Å; N353-D391 WeakPolarHBondContact CB-OD1 3.13Å; N353-D391 PolarHBondContact N-OD1 2.81Å; N353-D391 PolarHBondContact N-OD2 3.5Å; N353-D391 PolarHBondContact ND2-OD1 2.89Å; D389-D391 PolarHBondContact OD1-N 2.9Å; D391-N395 HydrophobicContact CB-CB 3.64Å; D391-G396 VanDerWaalsContact C-CA 3.48Å; D391-G396 WeakPolarHBondContact O-CA 3.29Å |
| 392 | T | 89.8 | Confident | 92.6 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 34% | 0.337 | 27% | 0.266 | S | S | . | . | trans | -123.8 | 174.4 | -175.9 | 51.9 | 0 | 0 | 0 | 0 | 115 | R319 D349 I394 N395 G396 | R319-T392 PolarHBondContact NH1-OG1 2.94Å; D349-T392 WeakPolarHBondContact OD1-CA 3.19Å; D349-T392 WeakPolarHBondContact OD1-CB 3.29Å; D349-T392 PolarHBondContact OD1-N 3.19Å; D349-T392 PolarHBondContact OD1-OG1 2.95Å; T392-I394 PolarHBondContact O-N 2.82Å; T392-N395 PolarHBondContact O-N 3.02Å; T392-G396 PolarHBondContact O-N 2.66Å | ||
| 393 | D | 87.9 | Confident | 92.3 | Very high | 153 Ų | 153 | 57.1 Ų | 57.1 | 82% | 0.818 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | -96.7 | -176.6 | -68.1 | -31.1 | 0 | 0 | 0 | 115 | ||
| 394 | I | 90.3 | Very high | 92 | Very high | 111 Ų | 111 | 62.4 Ų | 62.4 | 57% | 0.569 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -34.3 | -178.2 | -62.8 | 177 | 0 | 0 | 0 | 110.6 | T392 K397 S443 | T392-I394 PolarHBondContact O-N 2.82Å; I394-K397 WeakPolarHBondContact O-CB 3.49Å; I394-K397 PolarHBondContact O-N 2.81Å; I394-S443 VanDerWaalsContact CG2-O 3.26Å; I394-S443 WeakPolarHBondContact CG2-O 3.39Å; I394-S443 WeakPolarHBondContact O-CB 3.42Å |
| 395 | N | 89.9 | Confident | 91.7 | Very high | 29 Ų | 29 | 68 Ų | 68 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -47.9 | 178.5 | -60.7 | -14.6 | 0 | 0 | 0 | 108.9 | D349 N351 D391 T392 K397 D442 | D349-N395 WeakPolarHBondContact OD2-CB 3.25Å; D349-N395 PolarHBondContact OD2-ND2 3.41Å; N351-N395 HydrophobicContact CB-CB 3.95Å; N351-N395 PolarHBondContact N-ND2 2.97Å; N351-N395 WeakPolarHBondContact OD1-CA 3.43Å; N351-N395 WeakPolarHBondContact OD1-CB 3.22Å; N351-N395 PolarHBondContact OD1-OD1 3.2Å; D391-N395 HydrophobicContact CB-CB 3.64Å; T392-N395 PolarHBondContact O-N 3.02Å; N395-K397 PolarHBondContact O-N 3.14Å; N395-D442 VanDerWaalsContact O-CB 3.28Å; N395-D442 WeakPolarHBondContact O-CB 3.4Å |
| 396 | G | 88.7 | Confident | 91.7 | Very high | 18 Ų | 18 | 69.3 Ų | 69.3 | 19% | 0.186 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 2.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | D391 T392 | D391-G396 VanDerWaalsContact C-CA 3.48Å; D391-G396 WeakPolarHBondContact O-CA 3.29Å; T392-G396 PolarHBondContact O-N 2.66Å |
| 397 | K | 90.8 | Very high | 91.8 | Very high | 133 Ų | 133 | 68.8 Ų | 68.8 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | trans | -100.4 | 99.8 | -171.4 | -171.8 | 173.4 | -179.4 | 173.3 | 0 | 112.9 | I394 N395 D442 S443 | I394-K397 WeakPolarHBondContact O-CB 3.49Å; I394-K397 PolarHBondContact O-N 2.81Å; N395-K397 PolarHBondContact O-N 3.14Å; K397-D442 CarbonylContact O-C 3.59Å; K397-S443 PolarHBondContact O-N 3.36Å; K397-S443 PolarHBondContact O-OG 3.45Å | ||
| 398 | V | 92.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.036 | 35% | 0.348 | C | S | . | . | trans | -86.4 | 136.1 | -175.9 | -167.9 | 0 | 0 | 0 | 0 | 113.4 | P355 V387 D389 A440 S441 | P355-V398 HydrophobicContact CB-CB 4.48Å; P355-V398 HydrophobicContact CB-CG1 3.77Å; P355-V398 HydrophobicContact CB-CG2 3.84Å; P355-V398 HydrophobicContact CG-CG1 4.16Å; P355-V398 HydrophobicContact CG-CG2 4.11Å; V387-V398 HydrophobicContact CB-CB 4.43Å; V387-V398 HydrophobicContact CB-CG1 3.96Å; V387-V398 HydrophobicContact CG1-CG1 4.41Å; V387-V398 HydrophobicContact CG2-CB 3.84Å; V387-V398 HydrophobicContact CG2-CG1 3.73Å; V387-V398 HydrophobicContact CG2-CG2 4.42Å; D389-V398 HydrophobicContact CB-CG2 3.91Å; V398-A440 HydrophobicContact CG1-CB 3.78Å; V398-S441 CarbonylContact C-O 3.54Å; V398-S441 WeakPolarHBondContact CA-O 3.49Å | ||
| 399 | I | 91.2 | Very high | 91.9 | Very high | 99 Ų | 99 | 69.9 Ų | 69.9 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.1 | 166.3 | -57.6 | 176.7 | 0 | 0 | 0 | 108.1 | A440 S441 | I399-A440 WeakPolarHBondContact O-CA 3.03Å; I399-S441 PolarHBondContact N-O 3.44Å; I399-S441 PolarHBondContact O-N 3.34Å |
| 400 | C | 93.2 | Very high | 91.9 | Very high | 12 Ų | 12 | 70.2 Ų | 70.2 | 8% | 0.081 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.9 | -177.3 | -164 | 0 | 0 | 0 | 0 | 111.3 | V387 L410 Y418 I438 V439 | V387-C400 HydrophobicContact CG1-CB 4.15Å; C400-L410 HydrophobicContact CB-CD1 4.41Å; C400-Y418 HydrophobicContact CB-CD2 3.88Å; C400-Y418 HydrophobicContact CB-CE1 4.17Å; C400-Y418 HydrophobicContact CB-CE2 3.49Å; C400-Y418 VanDerWaalsContact CB-CE2 3.49Å; C400-Y418 HydrophobicContact CB-CG 4.39Å; C400-I438 VanDerWaalsContact SG-CG2 3.5Å; C400-V439 WeakPolarHBondContact CA-O 3.49Å |
| 401 | F | 93.3 | Very high | 91.9 | Very high | 97 Ų | 97 | 66.2 Ų | 66.2 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 174.9 | -177.8 | 63.8 | -82.8 | 0 | 0 | 0 | 112.2 | I438 V439 | F401-I438 CarbonylContact O-C 3.54Å; F401-I438 WeakPolarHBondContact O-CA 3.42Å; F401-V439 HydrophobicContact CD1-CB 4.34Å; F401-V439 HydrophobicContact CD2-CB 4.35Å; F401-V439 HydrophobicContact CE1-CB 3.95Å; F401-V439 HydrophobicContact CE1-CG1 3.84Å; F401-V439 HydrophobicContact CE2-CB 3.96Å; F401-V439 HydrophobicContact CE2-CG1 4.32Å; F401-V439 HydrophobicContact CE2-CG2 4.18Å; F401-V439 HydrophobicContact CZ-CB 3.74Å; F401-V439 HydrophobicContact CZ-CG1 3.65Å; F401-V439 HydrophobicContact CZ-CG2 4.33Å; F401-V439 PolarHBondContact N-O 3.17Å; F401-V439 PolarHBondContact O-N 3.06Å |
| 402 | I | 95.2 | Very high | 91.8 | Very high | 30 Ų | 30 | 69.2 Ų | 69.2 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.4 | 174.9 | -63.4 | 169.8 | 0 | 0 | 0 | 108.9 | K404 V406 L410 L420 F436 I438 | I402-K404 VanDerWaalsContact C-N 3.28Å; I402-K404 WeakPolarHBondContact CG2-O 3.12Å; I402-K404 PolarHBondContact O-N 2.89Å; I402-V406 HydrophobicContact CG2-CG2 3.91Å; I402-L410 HydrophobicContact CD1-CD2 4.23Å; I402-L410 HydrophobicContact CD1-CG 4.01Å; I402-L410 HydrophobicContact CG1-CD1 4.18Å; I402-L410 HydrophobicContact CG1-CD2 4.42Å; I402-L410 HydrophobicContact CG1-CG 3.96Å; I402-L420 HydrophobicContact CD1-CD1 4.08Å; I402-F436 HydrophobicContact CD1-CD2 4.34Å; I402-F436 HydrophobicContact CD1-CE2 4.06Å; I402-F436 HydrophobicContact CG1-CD2 4.39Å; I402-F436 HydrophobicContact CG1-CE2 4.46Å; I402-F436 HydrophobicContact CG2-CB 4.18Å; I402-F436 HydrophobicContact CG2-CD2 3.71Å; I402-F436 HydrophobicContact CG2-CE2 4.48Å; I402-F436 HydrophobicContact CG2-CG 4.25Å; I402-I438 HydrophobicContact CG1-CG1 4.25Å |
| 403 | E | 88.3 | Confident | 91.8 | Very high | 100 Ų | 100 | 69.9 Ų | 69.9 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -68.2 | -22.5 | -173.7 | -174.5 | -176.9 | -146.8 | 0 | 0 | 114.2 | K437 V439 | E403-K437 HydrophobicContact CB-CB 4.35Å; E403-K437 PolarHBondContact N-O 3.04Å; E403-K437 IonicContact OE1-NZ 3.13Å; E403-K437 PolarHBondContact OE1-NZ 2.82Å; E403-K437 WeakPolarHBondContact OE2-CE 3.45Å; E403-K437 WeakPolarHBondContact OE2-CG 3.46Å; E403-K437 IonicContact OE2-NZ 3.61Å; E403-K437 PolarHBondContact OE2-NZ 2.93Å; E403-V439 HydrophobicContact CB-CG2 4.04Å |
| 404 | K | 86.6 | Confident | 91.8 | Very high | 112 Ų | 112 | 70.3 Ų | 70.3 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -126.1 | 153 | -172 | -63.6 | -179.3 | -178.7 | 177.7 | 0 | 111.1 | I402 V406 N435 | I402-K404 VanDerWaalsContact C-N 3.28Å; I402-K404 WeakPolarHBondContact CG2-O 3.12Å; I402-K404 PolarHBondContact O-N 2.89Å; K404-V406 HydrophobicContact CB-CG1 4.03Å; K404-V406 PolarHBondContact O-N 3.41Å; K404-N435 PolarHBondContact NZ-O 2.95Å |
| 405 | D | 89.6 | Confident | 91.5 | Very high | 172 Ų | 172 | 72.6 Ų | 72.6 | 92% | 0.92 | 37% | 0.369 | S | S | * | . | trans | -71.3 | 119.4 | 162.5 | -163.9 | 10.3 | 0 | 0 | 0 | 109.3 | ||||
| 406 | V | 94.4 | Very high | 91.4 | Very high | 26 Ų | 26 | 74 Ų | 74 | 16% | 0.158 | 38% | 0.376 | C | S | . | . | trans | -154.5 | 157.9 | -173.9 | -69.7 | 0 | 0 | 0 | 0 | 109.6 | I402 K404 F408 F436 | I402-V406 HydrophobicContact CG2-CG2 3.91Å; K404-V406 HydrophobicContact CB-CG1 4.03Å; K404-V406 PolarHBondContact O-N 3.41Å; V406-F408 HydrophobicContact CB-CD2 4.05Å; V406-F408 HydrophobicContact CG2-CB 4.34Å; V406-F408 HydrophobicContact CG2-CD2 3.97Å; V406-F408 PolarHBondContact O-N 2.91Å; V406-F436 HydrophobicContact CG1-CB 4.26Å; V406-F436 HydrophobicContact CG2-CB 4.49Å; V406-F436 HydrophobicContact CG2-CD1 4.35Å; V406-F436 HydrophobicContact CG2-CG 4.26Å | ||
| 407 | P | 95.3 | Very high | 91.6 | Very high | 20 Ų | 20 | 76.1 Ų | 76.1 | 13% | 0.13 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -74.3 | 35.1 | 180 | 32.1 | -37.5 | 0 | 0 | 0 | 114.4 | T422 S423 A424 L426 Y434 | P407-T422 CarbonylContact O-C 3.58Å; P407-T422 WeakPolarHBondContact O-CA 3.24Å; P407-S423 WeakPolarHBondContact CA-OG 3.46Å; P407-S423 PolarHBondContact O-N 3.29Å; P407-S423 PolarHBondContact O-OG 3.01Å; P407-A424 HydrophobicContact CB-CB 3.98Å; P407-L426 HydrophobicContact CB-CD2 4.05Å; P407-L426 HydrophobicContact CG-CD2 3.71Å; P407-Y434 HydrophobicContact CG-CD1 4.28Å; P407-Y434 HydrophobicContact CG-CE1 3.63Å; P407-Y434 HydrophobicContact CG-CE2 4.21Å |
| 408 | F | 95.5 | Very high | 91.8 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.7 | 176.5 | -47.9 | -80.8 | 0 | 0 | 0 | 109.9 | L372 I382 V406 L420 E421 T422 S423 L426 Y434 F436 V456 | L372-F408 HydrophobicContact CD1-CE1 3.96Å; I382-F408 HydrophobicContact CD1-CD1 3.41Å; I382-F408 VanDerWaalsContact CD1-CD1 3.41Å; I382-F408 HydrophobicContact CD1-CE1 3.62Å; V406-F408 HydrophobicContact CB-CD2 4.05Å; V406-F408 HydrophobicContact CG2-CB 4.34Å; V406-F408 HydrophobicContact CG2-CD2 3.97Å; V406-F408 PolarHBondContact O-N 2.91Å; F408-L420 HydrophobicContact CB-CD1 3.99Å; F408-E421 WeakPolarHBondContact CA-O 3.17Å; F408-T422 HydrophobicContact CD1-CG2 4.01Å; F408-T422 HydrophobicContact CE1-CG2 3.91Å; F408-S423 PolarHBondContact N-OG 3.18Å; F408-L426 HydrophobicContact CE1-CD2 4.17Å; F408-L426 HydrophobicContact CZ-CD2 3.94Å; F408-Y434 HydrophobicContact CE2-CD1 4.14Å; F408-Y434 AromaticContact CE2-CD2 3.77Å; F408-Y434 HydrophobicContact CE2-CD2 3.77Å; F408-Y434 HydrophobicContact CE2-CE2 4.36Å; F408-Y434 AromaticContact CE2-CG 3.64Å; F408-Y434 HydrophobicContact CE2-CG 3.64Å; F408-Y434 AromaticContact CZ-CD2 3.83Å; F408-Y434 HydrophobicContact CZ-CD2 3.83Å; F408-Y434 HydrophobicContact CZ-CE2 4.29Å; F408-Y434 HydrophobicContact CZ-CG 4.19Å; F408-F436 HydrophobicContact CB-CE1 4.48Å; F408-F436 HydrophobicContact CB-CZ 4.05Å; F408-F436 HydrophobicContact CD2-CD1 4.06Å; F408-F436 AromaticContact CD2-CE1 3.35Å; F408-F436 HydrophobicContact CD2-CE1 3.35Å; F408-F436 AromaticContact CD2-CZ 3.78Å; F408-F436 HydrophobicContact CD2-CZ 3.78Å; F408-F436 HydrophobicContact CE2-CD1 4.38Å; F408-F436 AromaticContact CE2-CE1 3.71Å; F408-F436 HydrophobicContact CE2-CE1 3.71Å; F408-F436 HydrophobicContact CE2-CZ 4.48Å; F408-F436 AromaticContact CG-CE1 3.96Å; F408-F436 HydrophobicContact CG-CE1 3.96Å; F408-F436 AromaticContact CG-CZ 3.92Å; F408-F436 HydrophobicContact CG-CZ 3.92Å; F408-V456 HydrophobicContact CE1-CG1 4.36Å; F408-V456 HydrophobicContact CE1-CG2 4.32Å; F408-V456 HydrophobicContact CE2-CG2 4.49Å; F408-V456 HydrophobicContact CZ-CB 4.1Å; F408-V456 HydrophobicContact CZ-CG1 3.99Å; F408-V456 HydrophobicContact CZ-CG2 4.06Å |
| 409 | H | 94.4 | Very high | 91.9 | Very high | 74 Ų | 74 | 72.2 Ų | 72.2 | 34% | 0.343 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 158.7 | 175.1 | 70.6 | 26 | 0 | 0 | 0 | 113.4 | E421 | H409-E421 IonicContact CE1-OE1 3.4Å; H409-E421 PolarHBondContact CE1-OE1 3.34Å; H409-E421 PolarHBondContact N-O 3.32Å; H409-E421 PolarHBondContact O-N 3.32Å |
| 410 | L | 95.1 | Very high | 92.1 | Very high | 35 Ų | 35 | 67.5 Ų | 67.5 | 18% | 0.183 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.6 | 173.4 | -59.4 | -175.4 | 0 | 0 | 0 | 110.4 | I385 C400 I402 Y418 L420 I438 | I385-L410 HydrophobicContact CD1-CD2 3.41Å; I385-L410 VanDerWaalsContact CD1-CD2 3.41Å; C400-L410 HydrophobicContact CB-CD1 4.41Å; I402-L410 HydrophobicContact CD1-CD2 4.23Å; I402-L410 HydrophobicContact CD1-CG 4.01Å; I402-L410 HydrophobicContact CG1-CD1 4.18Å; I402-L410 HydrophobicContact CG1-CD2 4.42Å; I402-L410 HydrophobicContact CG1-CG 3.96Å; L410-Y418 HydrophobicContact CB-CD1 4.2Å; L410-L420 HydrophobicContact CD2-CB 4.22Å; L410-L420 HydrophobicContact CD2-CD1 3.82Å; L410-I438 HydrophobicContact CD1-CG2 4.11Å; L410-I438 HydrophobicContact CD2-CG1 4.5Å |
| 411 | K | 93.2 | Very high | 92.2 | Very high | 93 Ų | 93 | 67 Ų | 67 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 113.7 | 177.9 | 178.4 | 172.1 | -179.6 | 177.4 | 0 | 109.5 | V413 Y418 L419 E421 | K411-V413 PolarHBondContact O-N 2.79Å; K411-Y418 CarbonylContact O-C 3.59Å; K411-Y418 WeakPolarHBondContact O-CA 3.35Å; K411-L419 HydrophobicContact CB-CB 4.47Å; K411-L419 PolarHBondContact N-O 3.11Å; K411-L419 PolarHBondContact O-N 2.89Å; K411-E421 WeakPolarHBondContact CD-OE1 3.4Å; K411-E421 WeakPolarHBondContact CE-OE1 3.41Å; K411-E421 IonicContact NZ-OE1 2.78Å; K411-E421 PolarHBondContact NZ-OE1 3.27Å; K411-E421 IonicContact NZ-OE2 3.15Å; K411-E421 PolarHBondContact NZ-OE2 3.28Å |
| 412 | A | 91.8 | Very high | 92.3 | Very high | 72 Ų | 72 | 62.4 Ų | 62.4 | 60% | 0.595 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 130.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y418 | A412-Y418 HydrophobicContact CB-CD1 4.24Å; A412-Y418 HydrophobicContact CB-CE1 4.21Å |
| 413 | V | 90.1 | Very high | 92.3 | Very high | 69 Ų | 69 | 63.4 Ų | 63.4 | 42% | 0.418 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -43.5 | 178.2 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | K411 Q417 L419 | K411-V413 PolarHBondContact O-N 2.79Å; V413-Q417 PolarHBondContact N-O 2.95Å; V413-L419 HydrophobicContact CG2-CB 3.72Å |
| 414 | Y | 88.3 | Confident | 92.5 | Very high | 162 Ų | 162 | 60.6 Ų | 60.6 | 64% | 0.635 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 173.8 | 172.6 | -59.1 | -70.9 | 0 | 0 | 0 | 108.6 | N416 Q417 | Y414-N416 PolarHBondContact O-N 2.94Å; Y414-Q417 PolarHBondContact N-O 3.29Å; Y414-Q417 PolarHBondContact O-N 3.39Å |
| 415 | D | 84.9 | Confident | 92.8 | Very high | 159 Ų | 159 | 60.9 Ų | 60.9 | 85% | 0.85 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 128.5 | 170 | -66.4 | -39.3 | 0 | 0 | 0 | 110.2 | Q417 | D415-Q417 PolarHBondContact O-N 2.81Å; D415-Q417 VanDerWaalsContact O-N 3.08Å |
| 416 | N | 87.1 | Confident | 93.1 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 31% | 0.31 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 16.1 | -176.6 | -63 | -8.6 | 0 | 0 | 0 | 116.5 | V387 Y414 | V387-N416 HydrophobicContact CG2-CB 3.74Å; V387-N416 PolarHBondContact N-O 2.92Å; V387-N416 WeakPolarHBondContact O-CB 3.41Å; Y414-N416 PolarHBondContact O-N 2.94Å |
| 417 | Q | 92.8 | Very high | 93.1 | Very high | 62 Ų | 62 | 56 Ų | 56 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.1 | 175.3 | -65.9 | -177.3 | 25.3 | 0 | 0 | 112.4 | I385 T386 V413 Y414 D415 | I385-Q417 WeakPolarHBondContact O-CA 3.07Å; T386-Q417 HydrophobicContact CG2-CG 4.15Å; V413-Q417 PolarHBondContact N-O 2.95Å; Y414-Q417 PolarHBondContact N-O 3.29Å; Y414-Q417 PolarHBondContact O-N 3.39Å; D415-Q417 PolarHBondContact O-N 2.81Å; D415-Q417 VanDerWaalsContact O-N 3.08Å |
| 418 | Y | 94.8 | Very high | 93.1 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132 | -173.4 | -57.6 | -96.4 | 0 | 0 | 0 | 110.7 | I385 V387 C400 L410 K411 A412 | I385-Y418 PolarHBondContact N-O 3.15Å; I385-Y418 PolarHBondContact O-N 3.42Å; V387-Y418 HydrophobicContact CG2-CE2 3.98Å; C400-Y418 HydrophobicContact CB-CD2 3.88Å; C400-Y418 HydrophobicContact CB-CE1 4.17Å; C400-Y418 HydrophobicContact CB-CE2 3.49Å; C400-Y418 VanDerWaalsContact CB-CE2 3.49Å; C400-Y418 HydrophobicContact CB-CG 4.39Å; L410-Y418 HydrophobicContact CB-CD1 4.2Å; K411-Y418 CarbonylContact O-C 3.59Å; K411-Y418 WeakPolarHBondContact O-CA 3.35Å; A412-Y418 HydrophobicContact CB-CD1 4.24Å; A412-Y418 HydrophobicContact CB-CE1 4.21Å |
| 419 | L | 94.9 | Very high | 93 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.4 | 170.1 | -177.6 | 62.6 | 0 | 0 | 0 | 109 | I362 K381 K411 V413 E421 | I362-L419 HydrophobicContact CD1-CD1 3.71Å; K381-L419 HydrophobicContact CB-CD1 4.3Å; K381-L419 HydrophobicContact CD-CD2 4.18Å; K381-L419 HydrophobicContact CG-CD2 4.19Å; K411-L419 HydrophobicContact CB-CB 4.47Å; K411-L419 PolarHBondContact N-O 3.11Å; K411-L419 PolarHBondContact O-N 2.89Å; V413-L419 HydrophobicContact CG2-CB 3.72Å; L419-E421 WeakPolarHBondContact CD2-OE2 3.45Å |
| 420 | L | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115.2 | 168.2 | -179.9 | 67.1 | 0 | 0 | 0 | 108.5 | I382 A383 I385 I402 F408 L410 F436 V454 | I382-L420 HydrophobicContact CB-CD2 4.09Å; I382-L420 HydrophobicContact CB-CG 4.14Å; I382-L420 HydrophobicContact CD1-CG 4.3Å; I382-L420 HydrophobicContact CG2-CD2 3.87Å; I382-L420 HydrophobicContact CG2-CG 4.47Å; I382-L420 PolarHBondContact N-O 3.22Å; A383-L420 HydrophobicContact CB-CB 4.36Å; A383-L420 HydrophobicContact CB-CD2 4.4Å; A383-L420 PolarHBondContact O-N 2.89Å; I385-L420 HydrophobicContact CD1-CB 3.88Å; I402-L420 HydrophobicContact CD1-CD1 4.08Å; F408-L420 HydrophobicContact CB-CD1 3.99Å; L410-L420 HydrophobicContact CD2-CB 4.22Å; L410-L420 HydrophobicContact CD2-CD1 3.82Å; L420-F436 HydrophobicContact CD1-CE2 4.14Å; L420-F436 HydrophobicContact CD1-CZ 4.19Å; L420-F436 HydrophobicContact CD2-CE2 4.48Å; L420-F436 HydrophobicContact CD2-CZ 4.24Å; L420-V454 HydrophobicContact CD2-CG1 4.24Å; L420-V454 HydrophobicContact CD2-CG2 4.39Å |
| 421 | E | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 158.4 | 176.7 | 62.2 | -176.9 | -155.2 | 0 | 0 | 112.1 | N379 T380 F408 H409 K411 L419 | N379-E421 PolarHBondContact OD1-OE1 2.69Å; T380-E421 WeakPolarHBondContact O-CA 3.39Å; T380-E421 VanDerWaalsContact O-CB 3.25Å; T380-E421 WeakPolarHBondContact O-CB 3.11Å; F408-E421 WeakPolarHBondContact CA-O 3.17Å; H409-E421 IonicContact CE1-OE1 3.4Å; H409-E421 PolarHBondContact CE1-OE1 3.34Å; H409-E421 PolarHBondContact N-O 3.32Å; H409-E421 PolarHBondContact O-N 3.32Å; K411-E421 WeakPolarHBondContact CD-OE1 3.4Å; K411-E421 WeakPolarHBondContact CE-OE1 3.41Å; K411-E421 IonicContact NZ-OE1 2.78Å; K411-E421 PolarHBondContact NZ-OE1 3.27Å; K411-E421 IonicContact NZ-OE2 3.15Å; K411-E421 PolarHBondContact NZ-OE2 3.28Å; L419-E421 WeakPolarHBondContact CD2-OE2 3.45Å |
| 422 | T | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 131 | 179.8 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | L372 P377 I378 N379 T380 I382 P407 F408 L426 | L372-T422 HydrophobicContact CD1-CG2 4.28Å; P377-T422 PolarHBondContact O-OG1 3.45Å; I378-T422 WeakPolarHBondContact CA-OG1 3.31Å; I378-T422 WeakPolarHBondContact CG2-O 3.43Å; N379-T422 WeakPolarHBondContact CA-O 3.44Å; N379-T422 PolarHBondContact N-O 3.19Å; N379-T422 PolarHBondContact N-OG1 2.83Å; T380-T422 PolarHBondContact N-OG1 2.96Å; T380-T422 PolarHBondContact O-N 2.75Å; T380-T422 VanDerWaalsContact O-N 3.12Å; I382-T422 HydrophobicContact CD1-CG2 4.32Å; P407-T422 CarbonylContact O-C 3.58Å; P407-T422 WeakPolarHBondContact O-CA 3.24Å; F408-T422 HydrophobicContact CD1-CG2 4.01Å; F408-T422 HydrophobicContact CE1-CG2 3.91Å; T422-L426 HydrophobicContact CG2-CD1 3.85Å; T422-L426 HydrophobicContact CG2-CG 4.36Å |
| 423 | S | 93.6 | Very high | 93 | Very high | 51 Ų | 51 | 58 Ų | 58 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -98.5 | -17.7 | -178.7 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | P407 F408 | P407-S423 WeakPolarHBondContact CA-OG 3.46Å; P407-S423 PolarHBondContact O-N 3.29Å; P407-S423 PolarHBondContact O-OG 3.01Å; F408-S423 PolarHBondContact N-OG 3.18Å |
| 424 | A | 93.6 | Very high | 93.2 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -135.4 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | P407 | P407-A424 HydrophobicContact CB-CB 3.98Š|
| 425 | L | 92.9 | Very high | 93.6 | Very high | 118 Ų | 118 | 51 Ų | 51 | 62% | 0.618 | 28% | 0.279 | S | S | * | . | trans | -67.9 | 155.8 | 162.2 | -64.9 | 174.3 | 0 | 0 | 0 | 109.5 | I378 | I378-L425 HydrophobicContact CD1-CD2 4.38Å; I378-L425 HydrophobicContact CD1-CG 4.24Å; I378-L425 HydrophobicContact CG1-CD2 3.8Å; I378-L425 HydrophobicContact CG1-CG 4.11Å | ||
| 426 | L | 95 | Very high | 94 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | trans | -102.3 | 161.1 | 176.4 | -63.4 | 170.4 | 0 | 0 | 0 | 108.7 | L372 E374 P407 F408 T422 Y434 L458 | L372-L426 HydrophobicContact CB-CD1 4.21Å; L372-L426 HydrophobicContact CD1-CD1 3.78Å; E374-L426 HydrophobicContact CB-CB 4.26Å; P407-L426 HydrophobicContact CB-CD2 4.05Å; P407-L426 HydrophobicContact CG-CD2 3.71Å; F408-L426 HydrophobicContact CE1-CD2 4.17Å; F408-L426 HydrophobicContact CZ-CD2 3.94Å; T422-L426 HydrophobicContact CG2-CD1 3.85Å; T422-L426 HydrophobicContact CG2-CG 4.36Å; L426-Y434 HydrophobicContact CD2-CE2 4.09Å; L426-L458 HydrophobicContact CB-CD1 3.98Å; L426-L458 HydrophobicContact CB-CD2 4.03Å; L426-L458 HydrophobicContact CD1-CD2 3.74Å; L426-L458 HydrophobicContact CD2-CD2 4.26Å; L426-L458 HydrophobicContact CG-CD2 4.21Å | ||
| 427 | D | 94.6 | Very high | 94.4 | Very high | 85 Ų | 85 | 44 Ų | 44 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | trans | -156.8 | 104.3 | -164.9 | 171.9 | -8.4 | 0 | 0 | 0 | 106.8 | G430 T431 L458 | D427-G430 WeakPolarHBondContact OD1-CA 3.45Å; D427-G430 PolarHBondContact OD1-N 3.34Å; D427-T431 PolarHBondContact O-N 2.78Å; D427-L458 WeakPolarHBondContact O-CD1 3.45Å | ||
| 428 | Y | 94.9 | Very high | 94.5 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 17% | 0.173 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -53.2 | -176.2 | -173.6 | -104.2 | 0 | 0 | 0 | 109.2 | E374 G430 T431 K432 L458 D460 | E374-Y428 VanDerWaalsContact CD-CB 3.46Å; E374-Y428 WeakPolarHBondContact OE1-CB 3.3Å; E374-Y428 WeakPolarHBondContact OE2-CB 2.97Å; E374-Y428 PolarHBondContact OE2-N 2.83Å; Y428-G430 PolarHBondContact O-N 2.86Å; Y428-T431 CarbonylContact O-C 3.57Å; Y428-T431 PolarHBondContact O-N 2.76Å; Y428-T431 VanDerWaalsContact O-N 3.12Å; Y428-K432 HydrophobicContact CD1-CD 3.71Å; Y428-K432 HydrophobicContact CD1-CG 3.95Å; Y428-K432 HydrophobicContact CD2-CB 4.19Å; Y428-K432 HydrophobicContact CD2-CD 4.42Å; Y428-K432 HydrophobicContact CD2-CG 3.89Å; Y428-K432 HydrophobicContact CE1-CD 3.34Å; Y428-K432 HydrophobicContact CE1-CG 3.91Å; Y428-K432 HydrophobicContact CE2-CB 3.93Å; Y428-K432 HydrophobicContact CE2-CD 4.12Å; Y428-K432 HydrophobicContact CE2-CG 3.85Å; Y428-K432 HydrophobicContact CG-CD 4.19Å; Y428-K432 HydrophobicContact CG-CG 3.89Å; Y428-K432 WeakPolarHBondContact O-CE 3.44Å; Y428-K432 WeakPolarHBondContact O-CG 3.49Å; Y428-K432 PolarHBondContact O-N 3.45Å; Y428-L458 HydrophobicContact CD2-CB 3.59Å; Y428-L458 HydrophobicContact CE2-CB 4.38Å; Y428-L458 VanDerWaalsContact CE2-O 3.3Å; Y428-L458 WeakPolarHBondContact CE2-O 3.33Å; Y428-D460 HydrophobicContact CD1-CB 3.85Å; Y428-D460 WeakPolarHBondContact CD1-OD1 3.39Å; Y428-D460 HydrophobicContact CD2-CB 4.32Å; Y428-D460 HydrophobicContact CE1-CB 3.65Å; Y428-D460 WeakPolarHBondContact CE1-OD1 3.22Å; Y428-D460 HydrophobicContact CE2-CB 4.17Å; Y428-D460 HydrophobicContact CG-CB 4.24Å |
| 429 | E | 94.3 | Very high | 94.5 | Very high | 50 Ų | 50 | 40 Ų | 40 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -45.5 | 178.5 | -80.6 | 43.7 | -95.1 | 0 | 0 | 111.7 | K432 E495 | E429-K432 IonicContact OE1-NZ 3.15Å; E429-K432 PolarHBondContact OE1-NZ 3.43Å; E429-E495 HydrophobicContact CG-CB 3.68Å; E429-E495 WeakPolarHBondContact CG-O 3.37Å |
| 430 | G | 92.7 | Very high | 94.5 | Very high | 47 Ų | 47 | 39 Ų | 39 | 49% | 0.485 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -48.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D427 Y428 | D427-G430 WeakPolarHBondContact OD1-CA 3.45Å; D427-G430 PolarHBondContact OD1-N 3.34Å; Y428-G430 PolarHBondContact O-N 2.86Å |
| 431 | T | 93.6 | Very high | 94.5 | Very high | 62 Ų | 62 | 40 Ų | 40 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | trans | -155.3 | 93.3 | -179.5 | -62.4 | 0 | 0 | 0 | 0 | 114.6 | D427 Y428 E433 Y434 L458 | D427-T431 PolarHBondContact O-N 2.78Å; Y428-T431 CarbonylContact O-C 3.57Å; Y428-T431 PolarHBondContact O-N 2.76Å; Y428-T431 VanDerWaalsContact O-N 3.12Å; T431-E433 VanDerWaalsContact C-N 3.31Å; T431-E433 PolarHBondContact O-N 3.23Å; T431-Y434 HydrophobicContact CG2-CD1 3.84Å; T431-Y434 HydrophobicContact CG2-CD2 4.5Å; T431-Y434 HydrophobicContact CG2-CE1 3.46Å; T431-Y434 VanDerWaalsContact CG2-CE1 3.46Å; T431-Y434 HydrophobicContact CG2-CE2 4.19Å; T431-Y434 HydrophobicContact CG2-CG 4.34Å; T431-Y434 WeakPolarHBondContact O-CE2 3.03Å; T431-L458 WeakPolarHBondContact O-CD1 3.43Å | ||
| 432 | K | 93.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 40.2 Ų | 40.2 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -64.6 | -18.8 | -178 | -54.7 | -174.3 | 177.5 | -146.6 | 0 | 115.6 | Y428 E429 L458 S497 | Y428-K432 HydrophobicContact CD1-CD 3.71Å; Y428-K432 HydrophobicContact CD1-CG 3.95Å; Y428-K432 HydrophobicContact CD2-CB 4.19Å; Y428-K432 HydrophobicContact CD2-CD 4.42Å; Y428-K432 HydrophobicContact CD2-CG 3.89Å; Y428-K432 HydrophobicContact CE1-CD 3.34Å; Y428-K432 HydrophobicContact CE1-CG 3.91Å; Y428-K432 HydrophobicContact CE2-CB 3.93Å; Y428-K432 HydrophobicContact CE2-CD 4.12Å; Y428-K432 HydrophobicContact CE2-CG 3.85Å; Y428-K432 HydrophobicContact CG-CD 4.19Å; Y428-K432 HydrophobicContact CG-CG 3.89Å; Y428-K432 WeakPolarHBondContact O-CE 3.44Å; Y428-K432 WeakPolarHBondContact O-CG 3.49Å; Y428-K432 PolarHBondContact O-N 3.45Å; E429-K432 IonicContact OE1-NZ 3.15Å; E429-K432 PolarHBondContact OE1-NZ 3.43Å; K432-L458 PolarHBondContact O-N 3.26Å; K432-L458 VanDerWaalsContact O-N 3.17Å; K432-S497 PolarHBondContact NZ-OG 2.75Å |
| 433 | E | 94.7 | Very high | 94.2 | Very high | 67 Ų | 67 | 42.1 Ų | 42.1 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 128.3 | 178 | -174.3 | 177.1 | 157.4 | 0 | 0 | 114.1 | T431 N435 V456 R457 | T431-E433 VanDerWaalsContact C-N 3.31Å; T431-E433 PolarHBondContact O-N 3.23Å; E433-N435 WeakPolarHBondContact CG-ND2 3.32Å; E433-N435 PolarHBondContact OE1-ND2 3.44Å; E433-V456 CarbonylContact C-O 3.54Å; E433-V456 WeakPolarHBondContact CA-O 3.45Å; E433-R457 HydrophobicContact CB-CG 4.07Å; E433-R457 HydrophobicContact CG-CG 3.75Å; E433-R457 IonicContact OE1-NH2 2.67Å; E433-R457 IonicContact OE2-CZ 3.68Å; E433-R457 IonicContact OE2-NE 3.76Å; E433-R457 PolarHBondContact OE2-NE 2.88Å; E433-R457 IonicContact OE2-NH2 2.77Å; E433-R457 PolarHBondContact OE2-NH2 3.2Å |
| 434 | Y | 94.9 | Very high | 94 | Very high | 30 Ų | 30 | 40 Ų | 40 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.1 | 174.1 | -57.4 | -87.2 | 0 | 0 | 0 | 111.9 | P407 F408 L426 T431 V456 L458 | P407-Y434 HydrophobicContact CG-CD1 4.28Å; P407-Y434 HydrophobicContact CG-CE1 3.63Å; P407-Y434 HydrophobicContact CG-CE2 4.21Å; F408-Y434 HydrophobicContact CE2-CD1 4.14Å; F408-Y434 AromaticContact CE2-CD2 3.77Å; F408-Y434 HydrophobicContact CE2-CD2 3.77Å; F408-Y434 HydrophobicContact CE2-CE2 4.36Å; F408-Y434 AromaticContact CE2-CG 3.64Å; F408-Y434 HydrophobicContact CE2-CG 3.64Å; F408-Y434 AromaticContact CZ-CD2 3.83Å; F408-Y434 HydrophobicContact CZ-CD2 3.83Å; F408-Y434 HydrophobicContact CZ-CE2 4.29Å; F408-Y434 HydrophobicContact CZ-CG 4.19Å; L426-Y434 HydrophobicContact CD2-CE2 4.09Å; T431-Y434 HydrophobicContact CG2-CD1 3.84Å; T431-Y434 HydrophobicContact CG2-CD2 4.5Å; T431-Y434 HydrophobicContact CG2-CE1 3.46Å; T431-Y434 VanDerWaalsContact CG2-CE1 3.46Å; T431-Y434 HydrophobicContact CG2-CE2 4.19Å; T431-Y434 HydrophobicContact CG2-CG 4.34Å; T431-Y434 WeakPolarHBondContact O-CE2 3.03Å; Y434-V456 PolarHBondContact N-O 3.23Å; Y434-V456 PolarHBondContact O-N 3.18Å; Y434-L458 HydrophobicContact CE2-CD1 4Å; Y434-L458 HydrophobicContact CE2-CD2 4.25Å; Y434-L458 HydrophobicContact CE2-CG 4.09Å |
| 435 | N | 94.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 105.2 | 172.4 | -79.8 | -92.2 | 0 | 0 | 0 | 110 | K404 E433 R455 | K404-N435 PolarHBondContact NZ-O 2.95Å; E433-N435 WeakPolarHBondContact CG-ND2 3.32Å; E433-N435 PolarHBondContact OE1-ND2 3.44Å; N435-R455 WeakPolarHBondContact OD1-CD 3.24Å; N435-R455 WeakPolarHBondContact OD1-CG 2.95Å; N435-R455 PolarHBondContact OD1-NE 2.61Å |
| 436 | F | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154.5 | -179 | 62.1 | -89.6 | 0 | 0 | 0 | 112.1 | I402 V406 F408 L420 I438 V454 V456 | I402-F436 HydrophobicContact CD1-CD2 4.34Å; I402-F436 HydrophobicContact CD1-CE2 4.06Å; I402-F436 HydrophobicContact CG1-CD2 4.39Å; I402-F436 HydrophobicContact CG1-CE2 4.46Å; I402-F436 HydrophobicContact CG2-CB 4.18Å; I402-F436 HydrophobicContact CG2-CD2 3.71Å; I402-F436 HydrophobicContact CG2-CE2 4.48Å; I402-F436 HydrophobicContact CG2-CG 4.25Å; V406-F436 HydrophobicContact CG1-CB 4.26Å; V406-F436 HydrophobicContact CG2-CB 4.49Å; V406-F436 HydrophobicContact CG2-CD1 4.35Å; V406-F436 HydrophobicContact CG2-CG 4.26Å; F408-F436 HydrophobicContact CB-CE1 4.48Å; F408-F436 HydrophobicContact CB-CZ 4.05Å; F408-F436 HydrophobicContact CD2-CD1 4.06Å; F408-F436 AromaticContact CD2-CE1 3.35Å; F408-F436 HydrophobicContact CD2-CE1 3.35Å; F408-F436 AromaticContact CD2-CZ 3.78Å; F408-F436 HydrophobicContact CD2-CZ 3.78Å; F408-F436 HydrophobicContact CE2-CD1 4.38Å; F408-F436 AromaticContact CE2-CE1 3.71Å; F408-F436 HydrophobicContact CE2-CE1 3.71Å; F408-F436 HydrophobicContact CE2-CZ 4.48Å; F408-F436 AromaticContact CG-CE1 3.96Å; F408-F436 HydrophobicContact CG-CE1 3.96Å; F408-F436 AromaticContact CG-CZ 3.92Å; F408-F436 HydrophobicContact CG-CZ 3.92Å; L420-F436 HydrophobicContact CD1-CE2 4.14Å; L420-F436 HydrophobicContact CD1-CZ 4.19Å; L420-F436 HydrophobicContact CD2-CE2 4.48Å; L420-F436 HydrophobicContact CD2-CZ 4.24Å; F436-I438 HydrophobicContact CE2-CG1 4.46Å; F436-V454 HydrophobicContact CD2-CB 4.23Å; F436-V454 HydrophobicContact CE1-CB 4.23Å; F436-V454 HydrophobicContact CE1-CG1 4.09Å; F436-V454 HydrophobicContact CE2-CB 3.8Å; F436-V454 HydrophobicContact CE2-CG1 4.19Å; F436-V454 HydrophobicContact CE2-CG2 4.07Å; F436-V454 HydrophobicContact CZ-CB 3.8Å; F436-V454 HydrophobicContact CZ-CG1 3.7Å; F436-V454 HydrophobicContact CZ-CG2 4.42Å; F436-V454 PolarHBondContact N-O 3.24Å; F436-V454 PolarHBondContact O-N 2.86Å; F436-V456 HydrophobicContact CE1-CG2 4.08Å |
| 437 | K | 94.6 | Very high | 93.5 | Very high | 69 Ų | 69 | 49.3 Ų | 49.3 | 30% | 0.3 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.6 | 173.1 | -54.5 | -164.4 | -146.7 | 99 | 0 | 110.3 | E403 T451 A452 L453 | E403-K437 HydrophobicContact CB-CB 4.35Å; E403-K437 PolarHBondContact N-O 3.04Å; E403-K437 IonicContact OE1-NZ 3.13Å; E403-K437 PolarHBondContact OE1-NZ 2.82Å; E403-K437 WeakPolarHBondContact OE2-CE 3.45Å; E403-K437 WeakPolarHBondContact OE2-CG 3.46Å; E403-K437 IonicContact OE2-NZ 3.61Å; E403-K437 PolarHBondContact OE2-NZ 2.93Å; K437-T451 HydrophobicContact CD-CG2 4.22Å; K437-A452 WeakPolarHBondContact CA-O 3.37Å; K437-L453 HydrophobicContact CG-CD1 4.45Å |
| 438 | I | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 132 | 156.8 | -65.3 | 156.6 | 0 | 0 | 0 | 106.7 | L359 I385 C400 F401 I402 L410 F436 T451 A452 V454 | L359-I438 HydrophobicContact CD1-CD1 3.66Å; I385-I438 HydrophobicContact CD1-CD1 3.5Å; I385-I438 HydrophobicContact CD1-CG1 4.47Å; I385-I438 HydrophobicContact CG1-CD1 4.13Å; C400-I438 VanDerWaalsContact SG-CG2 3.5Å; F401-I438 CarbonylContact O-C 3.54Å; F401-I438 WeakPolarHBondContact O-CA 3.42Å; I402-I438 HydrophobicContact CG1-CG1 4.25Å; L410-I438 HydrophobicContact CD1-CG2 4.11Å; L410-I438 HydrophobicContact CD2-CG1 4.5Å; F436-I438 HydrophobicContact CE2-CG1 4.46Å; I438-T451 CarbonylContact O-C 3.5Å; I438-T451 VanDerWaalsContact O-CA 3.23Å; I438-T451 WeakPolarHBondContact O-CA 3.4Å; I438-A452 PolarHBondContact N-O 2.93Å; I438-A452 PolarHBondContact O-N 2.88Å; I438-V454 HydrophobicContact CD1-CG2 3.55Å; I438-V454 HydrophobicContact CG1-CG2 4.27Å |
| 439 | V | 94.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.2 | 179.2 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | C400 F401 E403 N449 T451 | C400-V439 WeakPolarHBondContact CA-O 3.49Å; F401-V439 HydrophobicContact CD1-CB 4.34Å; F401-V439 HydrophobicContact CD2-CB 4.35Å; F401-V439 HydrophobicContact CE1-CB 3.95Å; F401-V439 HydrophobicContact CE1-CG1 3.84Å; F401-V439 HydrophobicContact CE2-CB 3.96Å; F401-V439 HydrophobicContact CE2-CG1 4.32Å; F401-V439 HydrophobicContact CE2-CG2 4.18Å; F401-V439 HydrophobicContact CZ-CB 3.74Å; F401-V439 HydrophobicContact CZ-CG1 3.65Å; F401-V439 HydrophobicContact CZ-CG2 4.33Å; F401-V439 PolarHBondContact N-O 3.17Å; F401-V439 PolarHBondContact O-N 3.06Å; E403-V439 HydrophobicContact CB-CG2 4.04Å; V439-N449 HydrophobicContact CG1-CB 4.47Å; V439-T451 HydrophobicContact CB-CG2 4.47Å; V439-T451 HydrophobicContact CG1-CG2 4.29Å; V439-T451 HydrophobicContact CG2-CG2 4.02Å |
| 440 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | P355 I357 V387 V398 I399 N449 Q450 | P355-A440 HydrophobicContact CB-CB 3.9Å; I357-A440 HydrophobicContact CD1-CB 3.61Å; I357-A440 HydrophobicContact CG1-CB 3.62Å; V387-A440 HydrophobicContact CG1-CB 3.99Å; V398-A440 HydrophobicContact CG1-CB 3.78Å; I399-A440 WeakPolarHBondContact O-CA 3.03Å; A440-N449 CarbonylContact O-C 3.58Å; A440-N449 WeakPolarHBondContact O-CA 3.2Å; A440-N449 WeakPolarHBondContact O-CB 3.21Å; A440-Q450 PolarHBondContact N-O 3.35Å; A440-Q450 PolarHBondContact O-N 2.98Å |
| 441 | S | 94.6 | Very high | 93.5 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.5 | 176.3 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | V398 I399 L448 | V398-S441 CarbonylContact C-O 3.54Å; V398-S441 WeakPolarHBondContact CA-O 3.49Å; I399-S441 PolarHBondContact N-O 3.44Å; I399-S441 PolarHBondContact O-N 3.34Å; S441-L448 WeakPolarHBondContact CA-O 3.44Å; S441-L448 PolarHBondContact OG-O 3.24Å |
| 442 | D | 94.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | trans | -70.9 | -178.8 | 167.6 | 64.2 | 47.7 | 0 | 0 | 0 | 111.4 | N351 P355 N395 K397 G444 S447 L448 | N351-D442 PolarHBondContact ND2-OD2 3.41Å; N351-D442 PolarHBondContact OD1-OD2 2.87Å; P355-D442 HydrophobicContact CG-CB 4Å; N395-D442 VanDerWaalsContact O-CB 3.28Å; N395-D442 WeakPolarHBondContact O-CB 3.4Å; K397-D442 CarbonylContact O-C 3.59Å; D442-G444 WeakPolarHBondContact OD1-CA 3.23Å; D442-G444 PolarHBondContact OD1-N 2.91Å; D442-S447 WeakPolarHBondContact OD1-CA 3.45Å; D442-S447 WeakPolarHBondContact OD1-CB 3.47Å; D442-L448 VanDerWaalsContact CG-N 3.34Å; D442-L448 PolarHBondContact N-O 3.03Å; D442-L448 VanDerWaalsContact N-O 3.08Å; D442-L448 PolarHBondContact OD1-N 3.36Å; D442-L448 VanDerWaalsContact OD2-CA 3.27Å; D442-L448 WeakPolarHBondContact OD2-CA 3.12Å; D442-L448 WeakPolarHBondContact OD2-CB 3.43Å; D442-L448 PolarHBondContact OD2-N 3.5Å | ||
| 443 | S | 91.6 | Very high | 93.5 | Very high | 40 Ų | 40 | 51 Ų | 51 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -106.5 | 12.4 | 172.2 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | I394 K397 | I394-S443 VanDerWaalsContact CG2-O 3.26Å; I394-S443 WeakPolarHBondContact CG2-O 3.39Å; I394-S443 WeakPolarHBondContact O-CB 3.42Å; K397-S443 PolarHBondContact O-N 3.36Å; K397-S443 PolarHBondContact O-OG 3.45Å |
| 444 | G | 89.7 | Confident | 93.4 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -76.1 | -176.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | N351 D442 P446 S447 | N351-G444 VanDerWaalsContact OD1-CA 3.28Å; N351-G444 WeakPolarHBondContact OD1-CA 3.4Å; D442-G444 WeakPolarHBondContact OD1-CA 3.23Å; D442-G444 PolarHBondContact OD1-N 2.91Å; G444-P446 CarbonylContact C-O 3.54Å; G444-S447 PolarHBondContact O-N 2.88Å |
| 445 | K | 86 | Confident | 93.4 | Very high | 195 Ų | 195 | 51.2 Ų | 51.2 | 85% | 0.848 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -145.1 | 103.8 | -174.8 | -66.3 | -175.5 | -176.5 | 170.3 | 0 | 112 | ||
| 446 | P | 91 | Very high | 93.5 | Very high | 106 Ų | 106 | 48.5 Ų | 48.5 | 69% | 0.688 | 26% | 0.26 | S | S | * | . | S | Bend | cis | -63.5 | 151.5 | -4.5 | 30.8 | -36.6 | 0 | 0 | 0 | 111.5 | G444 | G444-P446 CarbonylContact C-O 3.54Š|
| 447 | S | 92.4 | Very high | 93.5 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 129.3 | 176.7 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | D442 G444 | D442-S447 WeakPolarHBondContact OD1-CA 3.45Å; D442-S447 WeakPolarHBondContact OD1-CB 3.47Å; G444-S447 PolarHBondContact O-N 2.88Å |
| 448 | L | 93.7 | Very high | 93.5 | Very high | 55 Ų | 55 | 50.9 Ų | 50.9 | 29% | 0.288 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 157.6 | 171.5 | -53.5 | 174 | 0 | 0 | 0 | 110.3 | N351 P354 S441 D442 | N351-L448 WeakPolarHBondContact ND2-CG 3.06Å; P354-L448 HydrophobicContact CB-CB 4.12Å; P354-L448 HydrophobicContact CB-CD1 4.46Å; S441-L448 WeakPolarHBondContact CA-O 3.44Å; S441-L448 PolarHBondContact OG-O 3.24Å; D442-L448 VanDerWaalsContact CG-N 3.34Å; D442-L448 PolarHBondContact N-O 3.03Å; D442-L448 VanDerWaalsContact N-O 3.08Å; D442-L448 PolarHBondContact OD1-N 3.36Å; D442-L448 VanDerWaalsContact OD2-CA 3.27Å; D442-L448 WeakPolarHBondContact OD2-CA 3.12Å; D442-L448 WeakPolarHBondContact OD2-CB 3.43Å; D442-L448 PolarHBondContact OD2-N 3.5Å |
| 449 | N | 93.8 | Very high | 93.4 | Very high | 98 Ų | 98 | 56 Ų | 56 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 157.7 | 176.3 | 59.9 | 51.4 | 0 | 0 | 0 | 112.3 | V439 A440 | V439-N449 HydrophobicContact CG1-CB 4.47Å; A440-N449 CarbonylContact O-C 3.58Å; A440-N449 WeakPolarHBondContact O-CA 3.2Å; A440-N449 WeakPolarHBondContact O-CB 3.21Å |
| 450 | Q | 94.1 | Very high | 93.4 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 155.2 | 171.2 | -167.4 | 166.9 | -55.7 | 0 | 0 | 109.2 | P355 I357 A440 | P355-Q450 WeakPolarHBondContact O-CB 3.48Å; P355-Q450 PolarHBondContact O-OE1 3.31Å; I357-Q450 HydrophobicContact CD1-CB 4.39Å; I357-Q450 HydrophobicContact CG1-CB 4.49Å; A440-Q450 PolarHBondContact N-O 3.35Å; A440-Q450 PolarHBondContact O-N 2.98Å |
| 451 | T | 94.8 | Very high | 93.3 | Very high | 68 Ų | 68 | 59.8 Ų | 59.8 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.4 | 176.9 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | K437 I438 V439 | K437-T451 HydrophobicContact CD-CG2 4.22Å; I438-T451 CarbonylContact O-C 3.5Å; I438-T451 VanDerWaalsContact O-CA 3.23Å; I438-T451 WeakPolarHBondContact O-CA 3.4Å; V439-T451 HydrophobicContact CB-CG2 4.47Å; V439-T451 HydrophobicContact CG1-CG2 4.29Å; V439-T451 HydrophobicContact CG2-CG2 4.02Å |
| 452 | A | 93.7 | Very high | 93.3 | Very high | 20 Ų | 20 | 59.6 Ų | 59.6 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | I357 L359 K437 I438 | I357-A452 HydrophobicContact CB-CB 4.43Å; I357-A452 HydrophobicContact CD1-CB 4.14Å; I357-A452 HydrophobicContact CG2-CB 4.06Å; L359-A452 HydrophobicContact CD1-CB 4.28Å; K437-A452 WeakPolarHBondContact CA-O 3.37Å; I438-A452 PolarHBondContact N-O 2.93Å; I438-A452 PolarHBondContact O-N 2.88Å |
| 453 | L | 93.3 | Very high | 93.3 | Very high | 86 Ų | 86 | 64.4 Ų | 64.4 | 45% | 0.45 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124.2 | 177.3 | -179.5 | 68 | 0 | 0 | 0 | 110 | K437 R455 | K437-L453 HydrophobicContact CG-CD1 4.45Å; L453-R455 HydrophobicContact CD2-CG 4.43Å; L453-R455 HydrophobicContact CG-CG 4.4Å |
| 454 | V | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.8 | 168.9 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | L359 L420 F436 I438 V456 | L359-V454 HydrophobicContact CD1-CG2 3.82Å; L420-V454 HydrophobicContact CD2-CG1 4.24Å; L420-V454 HydrophobicContact CD2-CG2 4.39Å; F436-V454 HydrophobicContact CD2-CB 4.23Å; F436-V454 HydrophobicContact CE1-CB 4.23Å; F436-V454 HydrophobicContact CE1-CG1 4.09Å; F436-V454 HydrophobicContact CE2-CB 3.8Å; F436-V454 HydrophobicContact CE2-CG1 4.19Å; F436-V454 HydrophobicContact CE2-CG2 4.07Å; F436-V454 HydrophobicContact CZ-CB 3.8Å; F436-V454 HydrophobicContact CZ-CG1 3.7Å; F436-V454 HydrophobicContact CZ-CG2 4.42Å; F436-V454 PolarHBondContact N-O 3.24Å; F436-V454 PolarHBondContact O-N 2.86Å; I438-V454 HydrophobicContact CD1-CG2 3.55Å; I438-V454 HydrophobicContact CG1-CG2 4.27Å; V454-V456 HydrophobicContact CG1-CG2 4.02Å |
| 455 | R | 95.1 | Very high | 93.6 | Very high | 100 Ų | 100 | 66.9 Ų | 66.9 | 38% | 0.377 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.9 | 170.5 | -55.2 | -159.4 | 179.1 | 114.4 | 0.3 | 109.2 | T369 V370 N435 L453 | T369-R455 HydrophobicContact CG2-CB 4.04Å; V370-R455 PolarHBondContact N-O 2.63Å; N435-R455 WeakPolarHBondContact OD1-CD 3.24Å; N435-R455 WeakPolarHBondContact OD1-CG 2.95Å; N435-R455 PolarHBondContact OD1-NE 2.61Å; L453-R455 HydrophobicContact CD2-CG 4.43Å; L453-R455 HydrophobicContact CG-CG 4.4Å |
| 456 | V | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.5 | 172.7 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | V370 L372 F408 E433 Y434 F436 V454 | V370-V456 HydrophobicContact CB-CG2 4.48Å; V370-V456 CarbonylContact O-C 3.55Å; V370-V456 WeakPolarHBondContact O-CA 3.18Å; L372-V456 HydrophobicContact CB-CG1 4.44Å; L372-V456 HydrophobicContact CD1-CG1 3.62Å; L372-V456 HydrophobicContact CG-CG1 3.85Å; F408-V456 HydrophobicContact CE1-CG1 4.36Å; F408-V456 HydrophobicContact CE1-CG2 4.32Å; F408-V456 HydrophobicContact CE2-CG2 4.49Å; F408-V456 HydrophobicContact CZ-CB 4.1Å; F408-V456 HydrophobicContact CZ-CG1 3.99Å; F408-V456 HydrophobicContact CZ-CG2 4.06Å; E433-V456 CarbonylContact C-O 3.54Å; E433-V456 WeakPolarHBondContact CA-O 3.45Å; Y434-V456 PolarHBondContact N-O 3.23Å; Y434-V456 PolarHBondContact O-N 3.18Å; F436-V456 HydrophobicContact CE1-CG2 4.08Å; V454-V456 HydrophobicContact CG1-CG2 4.02Å |
| 457 | R | 95.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 57.3 Ų | 57.3 | 42% | 0.419 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 144.1 | 163.7 | -79.5 | -177.5 | 174.4 | 169.8 | 0.5 | 108.9 | T369 V370 F371 L372 E433 | T369-R457 HydrophobicContact CG2-CB 4.12Å; T369-R457 HydrophobicContact CG2-CG 3.84Å; V370-R457 PolarHBondContact O-N 2.82Å; F371-R457 WeakPolarHBondContact CA-O 3.12Å; F371-R457 HydrophobicContact CD1-CB 4.06Å; F371-R457 HydrophobicContact CE1-CB 3.96Å; L372-R457 PolarHBondContact N-O 3.44Å; L372-R457 VanDerWaalsContact N-O 3.1Å; E433-R457 HydrophobicContact CB-CG 4.07Å; E433-R457 HydrophobicContact CG-CG 3.75Å; E433-R457 IonicContact OE1-NH2 2.67Å; E433-R457 IonicContact OE2-CZ 3.68Å; E433-R457 IonicContact OE2-NE 3.76Å; E433-R457 PolarHBondContact OE2-NE 2.88Å; E433-R457 IonicContact OE2-NH2 2.77Å; E433-R457 PolarHBondContact OE2-NH2 3.2Å |
| 458 | L | 95.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 148.9 | 170.4 | -61.9 | -168.5 | 0 | 0 | 0 | 109.3 | L372 E374 L426 D427 Y428 T431 K432 Y434 | L372-L458 HydrophobicContact CB-CD2 4.25Å; L372-L458 CarbonylContact O-C 3.51Å; L372-L458 VanDerWaalsContact O-CA 3.31Å; L372-L458 WeakPolarHBondContact O-CA 3.12Å; E374-L458 HydrophobicContact CB-CD1 4.45Å; L426-L458 HydrophobicContact CB-CD1 3.98Å; L426-L458 HydrophobicContact CB-CD2 4.03Å; L426-L458 HydrophobicContact CD1-CD2 3.74Å; L426-L458 HydrophobicContact CD2-CD2 4.26Å; L426-L458 HydrophobicContact CG-CD2 4.21Å; D427-L458 WeakPolarHBondContact O-CD1 3.45Å; Y428-L458 HydrophobicContact CD2-CB 3.59Å; Y428-L458 HydrophobicContact CE2-CB 4.38Å; Y428-L458 VanDerWaalsContact CE2-O 3.3Å; Y428-L458 WeakPolarHBondContact CE2-O 3.33Å; T431-L458 WeakPolarHBondContact O-CD1 3.43Å; K432-L458 PolarHBondContact O-N 3.26Å; K432-L458 VanDerWaalsContact O-N 3.17Å; Y434-L458 HydrophobicContact CE2-CD1 4Å; Y434-L458 HydrophobicContact CE2-CD2 4.25Å; Y434-L458 HydrophobicContact CE2-CG 4.09Å |
| 459 | E | 93.3 | Very high | 94.2 | Very high | 109 Ų | 109 | 56.5 Ų | 56.5 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.6 | 167.9 | -62.6 | -167.6 | 130.8 | 0 | 0 | 108.2 | F371 L372 | F371-E459 HydrophobicContact CB-CG 4.06Å; F371-E459 HydrophobicContact CD1-CG 3.97Å; L372-E459 PolarHBondContact O-N 2.86Å |
| 460 | D | 94.3 | Very high | 93.9 | Very high | 37 Ų | 37 | 57.2 Ų | 57.2 | 20% | 0.198 | 29% | 0.288 | C | S | . | . | trans | -70.6 | 117.7 | -173.6 | -176.4 | 103.5 | 0 | 0 | 0 | 111.4 | Y428 S497 N500 | Y428-D460 HydrophobicContact CD1-CB 3.85Å; Y428-D460 WeakPolarHBondContact CD1-OD1 3.39Å; Y428-D460 HydrophobicContact CD2-CB 4.32Å; Y428-D460 HydrophobicContact CE1-CB 3.65Å; Y428-D460 WeakPolarHBondContact CE1-OD1 3.22Å; Y428-D460 HydrophobicContact CE2-CB 4.17Å; Y428-D460 HydrophobicContact CG-CB 4.24Å; D460-S497 WeakPolarHBondContact OD1-CA 3.45Å; D460-S497 WeakPolarHBondContact OD1-CB 3.47Å; D460-S497 PolarHBondContact OD1-N 2.97Å; D460-S497 PolarHBondContact OD2-N 2.81Å; D460-N500 PolarHBondContact O-ND2 3.12Å; D460-N500 WeakPolarHBondContact OD2-CB 3.49Å; D460-N500 PolarHBondContact OD2-ND2 2.82Å | ||
| 461 | E | 94 | Very high | 93.7 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | trans | -99 | 150.1 | 170.8 | -67.5 | -89.7 | 165.7 | 0 | 0 | 110.3 | S373 E374 K375 D463 | S373-E461 VanDerWaalsContact OG-CD 3.31Å; S373-E461 WeakPolarHBondContact OG-CG 3.03Å; S373-E461 PolarHBondContact OG-OE1 2.72Å; E374-E461 HydrophobicContact CG-CB 4.24Å; E374-E461 HydrophobicContact CG-CG 4.24Å; E374-E461 PolarHBondContact OE1-N 2.9Å; K375-E461 HydrophobicContact CB-CG 3.97Å; K375-E461 VanDerWaalsContact CD-CD 3.43Å; K375-E461 HydrophobicContact CD-CG 3.91Å; K375-E461 WeakPolarHBondContact CD-OE2 3.42Å; K375-E461 WeakPolarHBondContact CE-OE2 3.18Å; K375-E461 IonicContact NZ-OE2 3.57Å; K375-E461 PolarHBondContact NZ-OE2 3.19Å; E461-D463 PolarHBondContact O-N 3.08Å | ||
| 462 | N | 94.5 | Very high | 93.6 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 10% | 0.096 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -82.9 | 83.9 | -179.9 | -161.3 | 115.2 | 0 | 0 | 0 | 110.9 | D496 N500 D545 G547 L551 | N462-D496 VanDerWaalsContact CA-OD2 3.26Å; N462-D496 WeakPolarHBondContact CA-OD2 3.46Å; N462-N500 HydrophobicContact CB-CB 4.06Å; N462-N500 PolarHBondContact N-ND2 3.21Å; N462-N500 WeakPolarHBondContact OD1-CA 3.43Å; N462-N500 WeakPolarHBondContact OD1-CB 3.48Å; N462-N500 PolarHBondContact OD1-OD1 2.95Å; N462-D545 PolarHBondContact ND2-OD2 2.63Å; N462-D545 PolarHBondContact OD1-OD2 2.77Å; N462-G547 VanDerWaalsContact OD1-CA 3.25Å; N462-G547 WeakPolarHBondContact OD1-CA 3.43Å; N462-L551 WeakPolarHBondContact ND2-CD1 3.39Å; N462-L551 WeakPolarHBondContact ND2-CG 3.41Å |
| 463 | D | 93.4 | Very high | 93.6 | Very high | 107 Ų | 107 | 58.5 Ų | 58.5 | 57% | 0.572 | 30% | 0.3 | S | S | * | . | trans | -119.9 | -26.3 | -168.1 | 141.2 | -57.5 | 0 | 0 | 0 | 113 | E461 D496 | E461-D463 PolarHBondContact O-N 3.08Å; D463-D496 PolarHBondContact N-OD2 3.34Å | ||
| 464 | N | 93.8 | Very high | 93.7 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -88.9 | 137 | 167.8 | -58.2 | -85.4 | 0 | 0 | 0 | 111.3 | D496 L551 | N464-D496 WeakPolarHBondContact CB-OD1 3.24Å; N464-D496 PolarHBondContact N-OD1 2.91Å; N464-D496 VanDerWaalsContact N-OD1 3.15Å; N464-D496 PolarHBondContact ND2-OD1 3.33Å; N464-L551 WeakPolarHBondContact O-CD1 3.45Å |
| 465 | P | 94.5 | Very high | 93.7 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 152.1 | 170.7 | 33.7 | -33.1 | 0 | 0 | 0 | 111.1 | I467 L551 | P465-I467 WeakPolarHBondContact O-CG1 3.33Å; P465-I467 PolarHBondContact O-N 2.97Å; P465-L551 HydrophobicContact CB-CB 3.98Å; P465-L551 HydrophobicContact CB-CD1 4.42Å |
| 466 | P | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 128.1 | 171.7 | -19.5 | 24.2 | 0 | 0 | 0 | 111.3 | A492 T493 D494 I503 A543 D545 T553 | P466-A492 HydrophobicContact CB-CB 4.49Å; P466-T493 CarbonylContact C-O 3.58Å; P466-D494 WeakPolarHBondContact CA-OD2 3.24Å; P466-D494 WeakPolarHBondContact CD-OD2 3.33Å; P466-D494 WeakPolarHBondContact CG-OD2 3.22Å; P466-D494 VanDerWaalsContact N-OD2 3.12Å; P466-I503 HydrophobicContact CB-CD1 4.22Å; P466-I503 HydrophobicContact CB-CG1 4.13Å; P466-I503 HydrophobicContact CB-CG2 4.48Å; P466-I503 HydrophobicContact CG-CG1 4.38Å; P466-A543 HydrophobicContact CB-CB 3.9Å; P466-D545 HydrophobicContact CG-CB 4.25Å; P466-T553 WeakPolarHBondContact O-CB 3.4Å; P466-T553 PolarHBondContact O-OG1 2.74Å |
| 467 | I | 94.6 | Very high | 93.6 | Very high | 100 Ų | 100 | 62.5 Ų | 62.5 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.3 | -178.4 | -69.9 | 164.5 | 0 | 0 | 0 | 110.7 | P465 A492 T493 | P465-I467 WeakPolarHBondContact O-CG1 3.33Å; P465-I467 PolarHBondContact O-N 2.97Å; I467-A492 CarbonylContact O-C 3.4Å; I467-A492 WeakPolarHBondContact O-CA 3.4Å; I467-A492 WeakPolarHBondContact O-CB 3.47Å; I467-T493 PolarHBondContact N-O 2.73Å; I467-T493 PolarHBondContact O-N 3Å |
| 468 | F | 94.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 61.9 Ų | 61.9 | 6% | 0.057 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.5 | 171.4 | -75.8 | -79.1 | 0 | 0 | 0 | 112 | Q470 L490 A492 Y505 V541 A543 T553 A555 | F468-Q470 PolarHBondContact O-N 3.49Å; F468-Q470 VanDerWaalsContact O-N 3.14Å; F468-L490 HydrophobicContact CE1-CB 4.5Å; F468-A492 HydrophobicContact CD1-CB 3.98Å; F468-A492 HydrophobicContact CE1-CB 4.22Å; F468-A492 HydrophobicContact CG-CB 4.22Å; F468-Y505 HydrophobicContact CE1-CD1 4.04Å; F468-Y505 AromaticContact CE1-CE1 3.83Å; F468-Y505 HydrophobicContact CE1-CE1 3.83Å; F468-Y505 HydrophobicContact CZ-CD1 4.19Å; F468-Y505 HydrophobicContact CZ-CE1 4.3Å; F468-V541 HydrophobicContact CE1-CG1 3.85Å; F468-V541 HydrophobicContact CE1-CG2 4.45Å; F468-V541 HydrophobicContact CE2-CG1 4.16Å; F468-V541 HydrophobicContact CZ-CB 4.29Å; F468-V541 HydrophobicContact CZ-CG1 3.55Å; F468-V541 HydrophobicContact CZ-CG2 3.97Å; F468-A543 HydrophobicContact CD2-CB 4.26Å; F468-A543 HydrophobicContact CE1-CB 4.1Å; F468-A543 HydrophobicContact CE2-CB 3.5Å; F468-A543 HydrophobicContact CZ-CB 3.4Å; F468-A543 VanDerWaalsContact CZ-CB 3.4Å; F468-T553 HydrophobicContact CD2-CG2 4.48Å; F468-A555 HydrophobicContact CB-CB 3.98Å; F468-A555 HydrophobicContact CD1-CB 4.18Å; F468-A555 HydrophobicContact CD2-CB 3.49Å; F468-A555 VanDerWaalsContact CD2-CB 3.49Å; F468-A555 HydrophobicContact CE2-CB 3.93Å; F468-A555 HydrophobicContact CG-CB 3.62Å; F468-A555 HydrophobicContact CZ-CB 4.46Å |
| 469 | T | 89.8 | Confident | 93.4 | Very high | 89 Ų | 89 | 61.8 Ų | 61.8 | 55% | 0.546 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -59.3 | -24.9 | 176.4 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | T491 | T469-T491 PolarHBondContact N-O 2.69Å; T469-T491 PolarHBondContact OG1-O 2.79Å; T469-T491 PolarHBondContact OG1-OG1 3.47Å; T469-T491 VanDerWaalsContact OG1-OG1 3.14Å |
| 470 | Q | 87.6 | Confident | 93.3 | Very high | 114 Ų | 114 | 60.6 Ų | 60.6 | 53% | 0.533 | 33% | 0.329 | S | S | . | . | trans | -142.7 | 138.3 | 171.6 | -57.3 | -177.2 | 20.2 | 0 | 0 | 110.2 | F468 V472 I473 | F468-Q470 PolarHBondContact O-N 3.49Å; F468-Q470 VanDerWaalsContact O-N 3.14Å; Q470-V472 VanDerWaalsContact C-N 3.32Å; Q470-V472 WeakPolarHBondContact CB-O 3.25Å; Q470-I473 HydrophobicContact CB-CG1 4.35Å | ||
| 471 | P | 89.8 | Confident | 93.2 | Very high | 104 Ų | 104 | 59.5 Ų | 59.5 | 68% | 0.675 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -76.5 | -19.9 | 179.7 | 31.4 | -35.9 | 0 | 0 | 0 | 113.3 | A555 T556 | P471-A555 WeakPolarHBondContact O-CA 3.45Å; P471-T556 PolarHBondContact O-N 3.44Å |
| 472 | V | 94 | Very high | 93.1 | Very high | 61 Ų | 61 | 65.2 Ų | 65.2 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.3 | 172.9 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | Q470 E474 T556 I558 | Q470-V472 VanDerWaalsContact C-N 3.32Å; Q470-V472 WeakPolarHBondContact CB-O 3.25Å; V472-E474 HydrophobicContact CG1-CG 4.17Å; V472-T556 CarbonylContact C-O 3.54Å; V472-T556 VanDerWaalsContact CA-O 3.3Å; V472-T556 WeakPolarHBondContact CA-O 3.43Å; V472-I558 HydrophobicContact CG1-CD1 3.57Å; V472-I558 HydrophobicContact CG1-CG1 3.98Å |
| 473 | I | 93.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 72.5 Ų | 72.5 | 10% | 0.097 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 103.6 | -175.8 | -59.5 | 174.2 | 0 | 0 | 0 | 107.2 | Q470 L475 L490 A555 T556 V557 I558 | Q470-I473 HydrophobicContact CB-CG1 4.35Å; I473-L475 HydrophobicContact CG2-CD1 4.46Å; I473-L475 HydrophobicContact CG2-CD2 4.19Å; I473-L475 HydrophobicContact CG2-CG 4.19Å; I473-L490 HydrophobicContact CD1-CD2 3.71Å; I473-L490 HydrophobicContact CG2-CD2 4.23Å; I473-A555 HydrophobicContact CD1-CB 4.3Å; I473-T556 PolarHBondContact N-O 2.68Å; I473-V557 WeakPolarHBondContact O-CA 3.34Å; I473-I558 PolarHBondContact O-N 2.83Å |
| 474 | E | 94.1 | Very high | 92.9 | Very high | 144 Ų | 144 | 72.5 Ų | 72.5 | 67% | 0.673 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.8 | -178.4 | -58.7 | -170.4 | 157.4 | 0 | 0 | 110.5 | V472 I558 | V472-E474 HydrophobicContact CG1-CG 4.17Å; E474-I558 WeakPolarHBondContact CA-O 3.26Å; E474-I558 HydrophobicContact CG-CB 4.4Å |
| 475 | L | 94 | Very high | 92.8 | Very high | 19 Ų | 19 | 73.3 Ų | 73.3 | 10% | 0.099 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 105.4 | -173.5 | -62.5 | 175.5 | 0 | 0 | 0 | 110.4 | I473 L487 T488 L523 V557 I558 V559 T560 | I473-L475 HydrophobicContact CG2-CD1 4.46Å; I473-L475 HydrophobicContact CG2-CD2 4.19Å; I473-L475 HydrophobicContact CG2-CG 4.19Å; L475-L487 HydrophobicContact CD1-CB 4.4Å; L475-T488 HydrophobicContact CD1-CG2 3.75Å; L475-T488 HydrophobicContact CD2-CG2 3.85Å; L475-T488 HydrophobicContact CG-CG2 4.45Å; L475-L523 HydrophobicContact CD1-CD2 3.79Å; L475-V557 HydrophobicContact CD1-CG1 3.79Å; L475-I558 PolarHBondContact N-O 3.19Å; L475-V559 HydrophobicContact CB-CG2 4.25Å; L475-V559 HydrophobicContact CD1-CG2 4.25Å; L475-V559 WeakPolarHBondContact O-CA 3.45Å; L475-T560 PolarHBondContact O-N 2.98Å |
| 476 | P | 95.2 | Very high | 92.8 | Very high | 95 Ų | 95 | 76.4 Ų | 76.4 | 62% | 0.617 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.6 | 169 | 30.1 | -30.9 | 0 | 0 | 0 | 110.3 | T560 L562 | P476-T560 WeakPolarHBondContact CA-O 3.28Å; P476-L562 HydrophobicContact CB-CD1 3.85Å; P476-L562 HydrophobicContact CB-CG 4.16Å |
| 477 | V | 94.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 77.8 Ų | 77.8 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 127.8 | -179.5 | -168.8 | 0 | 0 | 0 | 0 | 108.6 | L485 L487 F529 V559 T560 V561 L562 | V477-L485 HydrophobicContact CG1-CD2 3.97Å; V477-L487 HydrophobicContact CG1-CD2 3.89Å; V477-L487 HydrophobicContact CG2-CD2 3.8Å; V477-F529 HydrophobicContact CG1-CD2 4.09Å; V477-F529 HydrophobicContact CG1-CE2 4.07Å; V477-V559 HydrophobicContact CB-CG1 4.38Å; V477-V559 HydrophobicContact CG2-CG1 3.74Å; V477-T560 PolarHBondContact N-O 2.96Å; V477-V561 CarbonylContact O-C 3.55Å; V477-V561 VanDerWaalsContact O-CA 3.31Å; V477-V561 WeakPolarHBondContact O-CA 3.09Å; V477-L562 PolarHBondContact O-N 3.11Å |
| 478 | M | 92.6 | Very high | 92.8 | Very high | 98 Ų | 98 | 74.7 Ų | 74.7 | 48% | 0.483 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 146.3 | 171.2 | -57.8 | -51.9 | -161.7 | 0 | 0 | 110.2 | L562 E564 | M478-L562 HydrophobicContact CE-CD1 4.45Å; M478-L562 HydrophobicContact SD-CB 3.45Å; M478-L562 WeakPolarHBondContact SD-CB 3.26Å; M478-L562 HydrophobicContact SD-CD1 3.84Å; M478-L562 HydrophobicContact SD-CG 4.29Å; M478-E564 HydrophobicContact CB-CG 4.48Å |
| 479 | E | 93.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 76.8 Ų | 76.8 | 2% | 0.023 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -67.9 | -176.5 | 166 | 70.4 | -165.2 | 125.3 | 0 | 0 | 112.9 | N481 R531 V561 L562 D563 E564 | E479-N481 PolarHBondContact O-N 3.36Å; E479-R531 WeakPolarHBondContact OE2-CB 3.05Å; E479-R531 PolarHBondContact OE2-N 2.95Å; E479-V561 HydrophobicContact CB-CG1 3.62Å; E479-L562 PolarHBondContact N-O 2.78Å; E479-L562 VanDerWaalsContact N-O 3.08Å; E479-D563 VanDerWaalsContact OE1-CA 3.24Å; E479-D563 WeakPolarHBondContact OE1-CA 3.35Å; E479-E564 HydrophobicContact CG-CB 4.22Å; E479-E564 HydrophobicContact CG-CG 4.42Å; E479-E564 PolarHBondContact OE1-N 3.45Å |
| 480 | N | 91.7 | Very high | 92.9 | Very high | 85 Ų | 85 | 72.7 Ų | 72.7 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 53.5 | 20.6 | -174.8 | -81.2 | -63.9 | 0 | 0 | 0 | 113.5 | F529 D566 | N480-F529 PolarHBondContact N-O 2.73Å; N480-D566 PolarHBondContact ND2-OD2 2.9Å |
| 481 | N | 92.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 70.3 Ų | 70.3 | 8% | 0.075 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 156.9 | -175.5 | 68.7 | -77.5 | 0 | 0 | 0 | 112.4 | E479 L485 R527 V528 F529 | E479-N481 PolarHBondContact O-N 3.36Å; N481-L485 HydrophobicContact CB-CD2 3.81Å; N481-R527 PolarHBondContact ND2-O 2.81Å; N481-V528 WeakPolarHBondContact O-CG1 3.47Å; N481-V528 WeakPolarHBondContact O-CG2 3.01Å; N481-V528 WeakPolarHBondContact OD1-CA 3.43Å; N481-F529 WeakPolarHBondContact OD1-CD2 3.36Å; N481-F529 WeakPolarHBondContact OD1-CG 3.39Å; N481-F529 PolarHBondContact OD1-N 3.36Å |
| 482 | K | 91.4 | Very high | 93.4 | Very high | 175 Ų | 175 | 65.9 Ų | 65.9 | 76% | 0.761 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 142.8 | 170.1 | -66.7 | 172.8 | -175.5 | 169.3 | 0 | 110.1 | L485 | K482-L485 WeakPolarHBondContact O-CB 3.49Å; K482-L485 PolarHBondContact O-N 2.91Å |
| 483 | R | 90.4 | Very high | 93.4 | Very high | 170 Ų | 170 | 66.7 Ų | 66.7 | 64% | 0.642 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 147.3 | 162 | -175.3 | -179 | -64.8 | 154.1 | 7.1 | 109.4 | L485 S526 | R483-L485 PolarHBondContact O-N 3.23Å; R483-S526 WeakPolarHBondContact CG-O 3.43Å; R483-S526 PolarHBondContact NE-O 2.92Å |
| 484 | D | 92 | Very high | 93.5 | Very high | 107 Ų | 107 | 66.9 Ų | 66.9 | 57% | 0.572 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 21.3 | -177.8 | -46.6 | -48.7 | 0 | 0 | 0 | 112.8 | F486 A525 | D484-F486 PolarHBondContact O-N 2.89Å; D484-A525 WeakPolarHBondContact CA-O 3.42Å; D484-A525 PolarHBondContact N-O 2.89Å |
| 485 | L | 93.6 | Very high | 93.6 | Very high | 67 Ų | 67 | 66 Ų | 66 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 122.4 | 171.2 | 174.6 | 64.5 | 0 | 0 | 0 | 109.7 | V477 N481 K482 R483 L487 T524 A525 | V477-L485 HydrophobicContact CG1-CD2 3.97Å; N481-L485 HydrophobicContact CB-CD2 3.81Å; K482-L485 WeakPolarHBondContact O-CB 3.49Å; K482-L485 PolarHBondContact O-N 2.91Å; R483-L485 PolarHBondContact O-N 3.23Å; L485-L487 HydrophobicContact CD2-CD2 4.05Å; L485-L487 HydrophobicContact CG-CD2 4.07Å; L485-L487 PolarHBondContact O-N 2.96Å; L485-T524 CarbonylContact O-C 3.58Å; L485-T524 WeakPolarHBondContact O-CA 3.47Å; L485-T524 WeakPolarHBondContact O-CB 3.37Å; L485-A525 HydrophobicContact CB-CB 4.4Å; L485-A525 PolarHBondContact O-N 3.12Å |
| 486 | F | 94.7 | Very high | 93.7 | Very high | 114 Ų | 114 | 65.3 Ų | 65.3 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 123.9 | 167.4 | 175.3 | -92.8 | 0 | 0 | 0 | 110.6 | D484 T488 V522 | D484-F486 PolarHBondContact O-N 2.89Å; F486-T488 VanDerWaalsContact CZ-C 3.44Å; F486-V522 HydrophobicContact CD2-CG1 3.74Å; F486-V522 HydrophobicContact CE2-CG1 3.9Å; F486-V522 HydrophobicContact CE2-CG2 4.3Å |
| 487 | L | 94.2 | Very high | 93.6 | Very high | 28 Ų | 28 | 62.5 Ų | 62.5 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -53.3 | 177.6 | -55 | -174.7 | 0 | 0 | 0 | 111.1 | L475 V477 L485 F514 L523 A525 | L475-L487 HydrophobicContact CD1-CB 4.4Å; V477-L487 HydrophobicContact CG1-CD2 3.89Å; V477-L487 HydrophobicContact CG2-CD2 3.8Å; L485-L487 HydrophobicContact CD2-CD2 4.05Å; L485-L487 HydrophobicContact CG-CD2 4.07Å; L485-L487 PolarHBondContact O-N 2.96Å; L487-F514 HydrophobicContact CD1-CD1 3.64Å; L487-F514 HydrophobicContact CD1-CE1 3.65Å; L487-L523 HydrophobicContact CD1-CD2 4.38Å; L487-L523 HydrophobicContact CD1-CG 4.48Å; L487-L523 PolarHBondContact N-O 2.98Å; L487-A525 HydrophobicContact CD1-CB 4.33Å; L487-A525 HydrophobicContact CD2-CB 4.24Å; L487-A525 HydrophobicContact CG-CB 4.45Å |
| 488 | T | 94.3 | Very high | 93.4 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 22% | 0.221 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 171.4 | 178.8 | -166.1 | 0 | 0 | 0 | 0 | 111.1 | L475 F486 L490 L523 | L475-T488 HydrophobicContact CD1-CG2 3.75Å; L475-T488 HydrophobicContact CD2-CG2 3.85Å; L475-T488 HydrophobicContact CG-CG2 4.45Å; F486-T488 VanDerWaalsContact CZ-C 3.44Å; T488-L490 HydrophobicContact CG2-CD2 3.65Å; T488-L490 HydrophobicContact CG2-CG 4.26Å; T488-L523 HydrophobicContact CG2-CB 4.3Å; T488-L523 HydrophobicContact CG2-CD2 4.24Å; T488-L523 PolarHBondContact O-N 2.76Å |
| 489 | T | 94.6 | Very high | 93.3 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 35% | 0.35 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 112.7 | 164.7 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | T491 T520 V522 | T489-T491 HydrophobicContact CG2-CG2 4.49Å; T489-T520 VanDerWaalsContact CG2-O 3.22Å; T489-T520 WeakPolarHBondContact CG2-O 3.39Å; T489-V522 HydrophobicContact CG2-CG2 4.24Å |
| 490 | L | 93.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | trans | -71.7 | 128.4 | 176.1 | -54.7 | 175.2 | 0 | 0 | 0 | 108.6 | F468 I473 T488 L516 G521 L523 V541 | F468-L490 HydrophobicContact CE1-CB 4.5Å; I473-L490 HydrophobicContact CD1-CD2 3.71Å; I473-L490 HydrophobicContact CG2-CD2 4.23Å; T488-L490 HydrophobicContact CG2-CD2 3.65Å; T488-L490 HydrophobicContact CG2-CG 4.26Å; L490-L516 HydrophobicContact CD1-CD1 3.9Å; L490-L516 HydrophobicContact CD1-CD2 4.2Å; L490-G521 WeakPolarHBondContact CB-O 2.95Å; L490-G521 PolarHBondContact N-O 3.48Å; L490-L523 HydrophobicContact CD1-CB 4.19Å; L490-L523 HydrophobicContact CD1-CD1 4.34Å; L490-L523 HydrophobicContact CD1-CD2 4.38Å; L490-L523 HydrophobicContact CD2-CD2 4.48Å; L490-L523 HydrophobicContact CG-CB 4.23Å; L490-V541 HydrophobicContact CD1-CB 4.13Å; L490-V541 HydrophobicContact CD1-CG1 4.16Å; L490-V541 HydrophobicContact CD1-CG2 3.84Å | ||
| 491 | T | 92.8 | Very high | 93.4 | Very high | 64 Ų | 64 | 66 Ų | 66 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | trans | -125.6 | 120 | -175.2 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | T469 T489 | T469-T491 PolarHBondContact N-O 2.69Å; T469-T491 PolarHBondContact OG1-O 2.79Å; T469-T491 PolarHBondContact OG1-OG1 3.47Å; T469-T491 VanDerWaalsContact OG1-OG1 3.14Å; T489-T491 HydrophobicContact CG2-CG2 4.49Å | ||
| 492 | A | 94.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 68.5 Ų | 68.5 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 154.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P466 I467 F468 I503 Y505 A543 | P466-A492 HydrophobicContact CB-CB 4.49Å; I467-A492 CarbonylContact O-C 3.4Å; I467-A492 WeakPolarHBondContact O-CA 3.4Å; I467-A492 WeakPolarHBondContact O-CB 3.47Å; F468-A492 HydrophobicContact CD1-CB 3.98Å; F468-A492 HydrophobicContact CE1-CB 4.22Å; F468-A492 HydrophobicContact CG-CB 4.22Å; A492-I503 HydrophobicContact CB-CD1 4.02Å; A492-I503 WeakPolarHBondContact O-CD1 3.16Å; A492-Y505 HydrophobicContact CB-CE1 3.98Å; A492-Y505 PolarHBondContact N-OH 2.85Å; A492-Y505 PolarHBondContact O-OH 3.08Å; A492-A543 HydrophobicContact CB-CB 3.67Å |
| 493 | T | 94.6 | Very high | 93.6 | Very high | 78 Ų | 78 | 61.4 Ų | 61.4 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 151.1 | 171.6 | 49.3 | 0 | 0 | 0 | 0 | 109.1 | P466 I467 | P466-T493 CarbonylContact C-O 3.58Å; I467-T493 PolarHBondContact N-O 2.73Å; I467-T493 PolarHBondContact O-N 3Å |
| 494 | D | 96.1 | Very high | 93.9 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | trans | -132.1 | 142.7 | 174.1 | -148.9 | -42.7 | 0 | 0 | 0 | 107.2 | P466 A501 I503 | P466-D494 WeakPolarHBondContact CA-OD2 3.24Å; P466-D494 WeakPolarHBondContact CD-OD2 3.33Å; P466-D494 WeakPolarHBondContact CG-OD2 3.22Å; P466-D494 VanDerWaalsContact N-OD2 3.12Å; D494-A501 HydrophobicContact CB-CB 3.95Å; D494-I503 HydrophobicContact CB-CD1 4.05Å; D494-I503 HydrophobicContact CB-CG1 4.13Å | ||
| 495 | E | 94.8 | Very high | 94 | Very high | 125 Ų | 125 | 51.4 Ų | 51.4 | 58% | 0.584 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -97.1 | -22.3 | -172.7 | -60.4 | -69.3 | 143.2 | 0 | 0 | 112 | E429 | E429-E495 HydrophobicContact CG-CB 3.68Å; E429-E495 WeakPolarHBondContact CG-O 3.37Å |
| 496 | D | 95.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -58 | -171.5 | 172.1 | -66.1 | 3.7 | 0 | 0 | 0 | 111.7 | N462 D463 N464 N500 A501 | N462-D496 VanDerWaalsContact CA-OD2 3.26Å; N462-D496 WeakPolarHBondContact CA-OD2 3.46Å; D463-D496 PolarHBondContact N-OD2 3.34Å; N464-D496 WeakPolarHBondContact CB-OD1 3.24Å; N464-D496 PolarHBondContact N-OD1 2.91Å; N464-D496 VanDerWaalsContact N-OD1 3.15Å; N464-D496 PolarHBondContact ND2-OD1 3.33Å; D496-N500 HydrophobicContact CB-CB 3.59Å; D496-A501 VanDerWaalsContact O-CB 3.28Å; D496-A501 WeakPolarHBondContact O-CB 3.4Å |
| 497 | S | 92.9 | Very high | 94.2 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | trans | -139.3 | 160.7 | -177.8 | -66.2 | 0 | 0 | 0 | 0 | 116.9 | K432 D460 K499 N500 | K432-S497 PolarHBondContact NZ-OG 2.75Å; D460-S497 WeakPolarHBondContact OD1-CA 3.45Å; D460-S497 WeakPolarHBondContact OD1-CB 3.47Å; D460-S497 PolarHBondContact OD1-N 2.97Å; D460-S497 PolarHBondContact OD2-N 2.81Å; S497-K499 PolarHBondContact O-N 2.77Å; S497-N500 PolarHBondContact O-N 2.95Å; S497-N500 VanDerWaalsContact O-N 3.08Å | ||
| 498 | G | 91.6 | Very high | 94 | Very high | 74 Ų | 74 | 49.8 Ų | 49.8 | 76% | 0.763 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | -95.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 499 | K | 91.4 | Very high | 93.6 | Very high | 144 Ų | 144 | 52.4 Ų | 52.4 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -29.9 | 177.1 | -73.2 | -175.5 | 178 | -180 | 0 | 112.9 | S497 A501 E502 N546 | S497-K499 PolarHBondContact O-N 2.77Å; K499-A501 VanDerWaalsContact C-N 3.26Å; K499-A501 PolarHBondContact O-N 2.97Å; K499-E502 PolarHBondContact O-N 2.85Å; K499-N546 CarbonylContact O-C 3.56Å; K499-N546 WeakPolarHBondContact O-CB 3.46Å; K499-N546 PolarHBondContact O-N 3.5Å |
| 500 | N | 92.6 | Very high | 93.1 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -36.8 | -178.5 | -62.5 | -7.5 | 0 | 0 | 0 | 108.5 | D460 N462 D496 S497 E502 D545 | D460-N500 PolarHBondContact O-ND2 3.12Å; D460-N500 WeakPolarHBondContact OD2-CB 3.49Å; D460-N500 PolarHBondContact OD2-ND2 2.82Å; N462-N500 HydrophobicContact CB-CB 4.06Å; N462-N500 PolarHBondContact N-ND2 3.21Å; N462-N500 WeakPolarHBondContact OD1-CA 3.43Å; N462-N500 WeakPolarHBondContact OD1-CB 3.48Å; N462-N500 PolarHBondContact OD1-OD1 2.95Å; D496-N500 HydrophobicContact CB-CB 3.59Å; S497-N500 PolarHBondContact O-N 2.95Å; S497-N500 VanDerWaalsContact O-N 3.08Å; N500-E502 PolarHBondContact O-N 3.05Å; N500-D545 WeakPolarHBondContact O-CB 3.32Å |
| 501 | A | 93.1 | Very high | 92.9 | Very high | 32 Ų | 32 | 56 Ų | 56 | 26% | 0.264 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 10 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | D494 D496 K499 I503 | D494-A501 HydrophobicContact CB-CB 3.95Å; D496-A501 VanDerWaalsContact O-CB 3.28Å; D496-A501 WeakPolarHBondContact O-CB 3.4Å; K499-A501 VanDerWaalsContact C-N 3.26Å; K499-A501 PolarHBondContact O-N 2.97Å; A501-I503 PolarHBondContact O-N 2.81Å |
| 502 | E | 94.4 | Very high | 92.7 | Very high | 67 Ų | 67 | 57 Ų | 57 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | trans | -81.9 | 80.6 | 178 | -165.5 | -168.7 | -179.8 | 0 | 0 | 111.5 | K499 N500 V504 K519 N546 | K499-E502 PolarHBondContact O-N 2.85Å; N500-E502 PolarHBondContact O-N 3.05Å; E502-V504 PolarHBondContact O-N 3.24Å; E502-K519 IonicContact OE1-NZ 3.46Å; E502-K519 PolarHBondContact OE1-NZ 2.8Å; E502-N546 HydrophobicContact CB-CB 3.92Å; E502-N546 PolarHBondContact O-N 3.17Å; E502-N546 PolarHBondContact OE2-ND2 3.34Å | ||
| 503 | I | 94.6 | Very high | 92.6 | Very high | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | trans | -63.6 | 129.3 | -178.7 | -53.7 | 172.2 | 0 | 0 | 0 | 112.2 | P466 A492 D494 A501 Y505 A543 R544 | P466-I503 HydrophobicContact CB-CD1 4.22Å; P466-I503 HydrophobicContact CB-CG1 4.13Å; P466-I503 HydrophobicContact CB-CG2 4.48Å; P466-I503 HydrophobicContact CG-CG1 4.38Å; A492-I503 HydrophobicContact CB-CD1 4.02Å; A492-I503 WeakPolarHBondContact O-CD1 3.16Å; D494-I503 HydrophobicContact CB-CD1 4.05Å; D494-I503 HydrophobicContact CB-CG1 4.13Å; A501-I503 PolarHBondContact O-N 2.81Å; I503-Y505 HydrophobicContact CG2-CD1 4.42Å; I503-Y505 HydrophobicContact CG2-CD2 4.41Å; I503-Y505 HydrophobicContact CG2-CE1 4.02Å; I503-Y505 HydrophobicContact CG2-CE2 4.01Å; I503-A543 HydrophobicContact CG2-CB 3.9Å; I503-R544 CarbonylContact C-O 3.55Å; I503-R544 WeakPolarHBondContact CA-O 3.44Å | ||
| 504 | V | 95.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 30% | 0.297 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.1 | 169.8 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | E502 R518 R544 | E502-V504 PolarHBondContact O-N 3.24Å; V504-R518 WeakPolarHBondContact CA-O 3.14Å; V504-R518 HydrophobicContact CG1-CB 4.11Å; V504-R544 PolarHBondContact N-O 2.85Å; V504-R544 PolarHBondContact O-N 3.31Å; V504-R544 VanDerWaalsContact O-N 3.11Å |
| 505 | Y | 95.8 | Very high | 92.5 | Very high | 17 Ų | 17 | 58.7 Ų | 58.7 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 142 | 178.1 | -58.9 | -84.8 | 0 | 0 | 0 | 112.1 | F468 A492 I503 R518 T542 A543 | F468-Y505 HydrophobicContact CE1-CD1 4.04Å; F468-Y505 AromaticContact CE1-CE1 3.83Å; F468-Y505 HydrophobicContact CE1-CE1 3.83Å; F468-Y505 HydrophobicContact CZ-CD1 4.19Å; F468-Y505 HydrophobicContact CZ-CE1 4.3Å; A492-Y505 HydrophobicContact CB-CE1 3.98Å; A492-Y505 PolarHBondContact N-OH 2.85Å; A492-Y505 PolarHBondContact O-OH 3.08Å; I503-Y505 HydrophobicContact CG2-CD1 4.42Å; I503-Y505 HydrophobicContact CG2-CD2 4.41Å; I503-Y505 HydrophobicContact CG2-CE1 4.02Å; I503-Y505 HydrophobicContact CG2-CE2 4.01Å; Y505-R518 PolarHBondContact N-O 2.72Å; Y505-R518 WeakPolarHBondContact O-CA 3.5Å; Y505-R518 WeakPolarHBondContact O-CB 3.14Å; Y505-R518 WeakPolarHBondContact O-CG 3.25Å; Y505-T542 WeakPolarHBondContact CA-O 3.18Å; Y505-A543 HydrophobicContact CD1-CB 4.13Å; Y505-A543 HydrophobicContact CE1-CB 4.08Å |
| 506 | Q | 95.2 | Very high | 92.6 | Very high | 117 Ų | 117 | 53.9 Ų | 53.9 | 55% | 0.547 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 132.3 | 176.7 | 177.7 | 171.3 | -16.4 | 0 | 0 | 111.9 | T542 | Q506-T542 PolarHBondContact N-O 2.72Å; Q506-T542 PolarHBondContact O-N 2.83Å |
| 507 | L | 95.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 57.2 Ų | 57.2 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 138.2 | 170.4 | -69.3 | 173.8 | 0 | 0 | 0 | 111.5 | A511 F514 L516 L523 F539 | L507-A511 HydrophobicContact CB-CB 3.86Å; L507-A511 HydrophobicContact CD1-CB 4.02Å; L507-A511 HydrophobicContact CD2-CB 4.02Å; L507-A511 HydrophobicContact CG-CB 4.17Å; L507-F514 HydrophobicContact CD1-CB 4.35Å; L507-F514 WeakPolarHBondContact CD1-O 3.11Å; L507-L516 HydrophobicContact CD1-CB 3.79Å; L507-L516 HydrophobicContact CD2-CB 4.08Å; L507-L516 HydrophobicContact CD2-CD2 3.73Å; L507-L516 HydrophobicContact CG-CB 3.66Å; L507-L516 HydrophobicContact CG-CD2 3.75Å; L507-L516 HydrophobicContact CG-CG 4.38Å; L507-L523 HydrophobicContact CD2-CD1 3.99Å; L507-F539 HydrophobicContact CD2-CD2 4.02Å; L507-F539 HydrophobicContact CD2-CE2 3.62Å |
| 508 | G | 90.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 63.1 Ų | 63.1 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | trans | -79.1 | -172.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T540 | G508-T540 WeakPolarHBondContact CA-O 3.12Å; G508-T540 PolarHBondContact N-O 2.88Å | ||
| 509 | P | 85.6 | Confident | 92.7 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 58% | 0.584 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 159.1 | 174 | 28.5 | -34.9 | 0 | 0 | 0 | 111.8 | A511 | P509-A511 PolarHBondContact O-N 2.87Š|
| 510 | N | 84.1 | Confident | 92.7 | Very high | 129 Ų | 129 | 62.9 Ų | 62.9 | 69% | 0.69 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | -0.7 | 179.8 | -50.2 | -17.9 | 0 | 0 | 0 | 116.4 | S512 | N510-S512 PolarHBondContact O-N 3.02Å; N510-S512 VanDerWaalsContact O-N 3.15Å |
| 511 | A | 89.1 | Confident | 92.7 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | trans | -79.9 | 20.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L507 P509 F513 F514 F539 | L507-A511 HydrophobicContact CB-CB 3.86Å; L507-A511 HydrophobicContact CD1-CB 4.02Å; L507-A511 HydrophobicContact CD2-CB 4.02Å; L507-A511 HydrophobicContact CG-CB 4.17Å; P509-A511 PolarHBondContact O-N 2.87Å; A511-F513 PolarHBondContact O-N 2.8Å; A511-F514 PolarHBondContact O-N 2.83Å; A511-F539 HydrophobicContact CB-CB 3.97Å; A511-F539 HydrophobicContact CB-CD1 4.41Å; A511-F539 HydrophobicContact CB-CD2 3.65Å; A511-F539 HydrophobicContact CB-CE2 4.21Å; A511-F539 HydrophobicContact CB-CG 3.77Å | ||
| 512 | S | 88.9 | Confident | 92.8 | Very high | 84 Ų | 84 | 62.2 Ų | 62.2 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 3.9 | -168.3 | 57 | 0 | 0 | 0 | 0 | 116.6 | N510 | N510-S512 PolarHBondContact O-N 3.02Å; N510-S512 VanDerWaalsContact O-N 3.15Å |
| 513 | F | 91.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 59 Ų | 59 | 23% | 0.232 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 3.4 | 174.3 | -66.5 | -113.2 | 0 | 0 | 0 | 111.8 | A511 S526 R527 F529 F537 | A511-F513 PolarHBondContact O-N 2.8Å; F513-S526 PolarHBondContact O-N 3.1Å; F513-S526 PolarHBondContact O-OG 2.84Å; F513-R527 HydrophobicContact CD1-CB 3.98Å; F513-R527 HydrophobicContact CD1-CG 4.24Å; F513-F529 HydrophobicContact CB-CE1 3.98Å; F513-F537 HydrophobicContact CB-CE1 4.25Å; F513-F537 AromaticContact CD1-CE1 3.87Å; F513-F537 HydrophobicContact CD1-CE1 3.87Å; F513-F537 HydrophobicContact CD1-CZ 4.08Å; F513-F537 HydrophobicContact CD2-CD1 4.29Å; F513-F537 AromaticContact CD2-CE1 3.82Å; F513-F537 HydrophobicContact CD2-CE1 3.82Å; F513-F537 HydrophobicContact CE1-CE1 4.14Å; F513-F537 HydrophobicContact CE1-CZ 4.39Å; F513-F537 HydrophobicContact CE2-CE1 4.1Å; F513-F537 HydrophobicContact CG-CD1 4.36Å; F513-F537 AromaticContact CG-CE1 3.73Å; F513-F537 HydrophobicContact CG-CE1 3.73Å; F513-F537 HydrophobicContact CG-CZ 4.32Å; F513-F537 HydrophobicContact CZ-CE1 4.25Å |
| 514 | F | 95.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 145.7 | -175.6 | -51.8 | -83.7 | 0 | 0 | 0 | 110.2 | L487 L507 A511 L523 T524 S526 F529 F537 F539 V559 | L487-F514 HydrophobicContact CD1-CD1 3.64Å; L487-F514 HydrophobicContact CD1-CE1 3.65Å; L507-F514 HydrophobicContact CD1-CB 4.35Å; L507-F514 WeakPolarHBondContact CD1-O 3.11Å; A511-F514 PolarHBondContact O-N 2.83Å; F514-L523 HydrophobicContact CB-CD1 4Å; F514-T524 CarbonylContact C-O 3.5Å; F514-T524 VanDerWaalsContact CA-O 3.23Å; F514-T524 WeakPolarHBondContact CA-O 3.15Å; F514-S526 PolarHBondContact N-OG 3.24Å; F514-F529 HydrophobicContact CD1-CZ 4.22Å; F514-F529 AromaticContact CE1-CE1 3.99Å; F514-F529 HydrophobicContact CE1-CE1 3.99Å; F514-F529 HydrophobicContact CE1-CE2 4.37Å; F514-F529 AromaticContact CE1-CZ 3.42Å; F514-F529 HydrophobicContact CE1-CZ 3.42Å; F514-F529 VanDerWaalsContact CE1-CZ 3.42Å; F514-F529 AromaticContact CZ-CE1 3.87Å; F514-F529 HydrophobicContact CZ-CE1 3.87Å; F514-F529 AromaticContact CZ-CZ 3.78Å; F514-F529 HydrophobicContact CZ-CZ 3.78Å; F514-F537 HydrophobicContact CE2-CB 3.73Å; F514-F537 HydrophobicContact CE2-CD1 4.08Å; F514-F537 HydrophobicContact CE2-CD2 4.45Å; F514-F537 AromaticContact CE2-CG 3.83Å; F514-F537 HydrophobicContact CE2-CG 3.83Å; F514-F537 HydrophobicContact CZ-CB 3.77Å; F514-F537 HydrophobicContact CZ-CD1 4.36Å; F514-F537 AromaticContact CZ-CD2 3.93Å; F514-F537 HydrophobicContact CZ-CD2 3.93Å; F514-F537 AromaticContact CZ-CG 3.75Å; F514-F537 HydrophobicContact CZ-CG 3.75Å; F514-F539 HydrophobicContact CB-CZ 4.44Å; F514-F539 HydrophobicContact CD1-CE1 4.37Å; F514-F539 HydrophobicContact CD1-CZ 4.28Å; F514-F539 HydrophobicContact CD2-CD1 4.03Å; F514-F539 AromaticContact CD2-CE1 3.42Å; F514-F539 HydrophobicContact CD2-CE1 3.42Å; F514-F539 VanDerWaalsContact CD2-CE1 3.42Å; F514-F539 AromaticContact CD2-CZ 3.75Å; F514-F539 HydrophobicContact CD2-CZ 3.75Å; F514-F539 HydrophobicContact CE1-CE1 4.29Å; F514-F539 AromaticContact CE2-CD1 3.91Å; F514-F539 HydrophobicContact CE2-CD1 3.91Å; F514-F539 AromaticContact CE2-CE1 3.34Å; F514-F539 HydrophobicContact CE2-CE1 3.34Å; F514-F539 HydrophobicContact CE2-CZ 4.1Å; F514-F539 AromaticContact CG-CE1 3.98Å; F514-F539 HydrophobicContact CG-CE1 3.98Å; F514-F539 AromaticContact CG-CZ 3.87Å; F514-F539 HydrophobicContact CG-CZ 3.87Å; F514-F539 AromaticContact CZ-CE1 3.82Å; F514-F539 HydrophobicContact CZ-CE1 3.82Å; F514-F539 HydrophobicContact CZ-CZ 4.5Å; F514-V559 HydrophobicContact CE1-CB 4.29Å; F514-V559 HydrophobicContact CE1-CG1 4.22Å; F514-V559 HydrophobicContact CE1-CG2 3.7Å; F514-V559 HydrophobicContact CZ-CB 4.03Å; F514-V559 HydrophobicContact CZ-CG1 4.23Å; F514-V559 HydrophobicContact CZ-CG2 3.73Å |
| 515 | D | 94.6 | Very high | 92.9 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 48% | 0.476 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 150.4 | 166.6 | -82.4 | -55 | 0 | 0 | 0 | 109.4 | T524 S526 | D515-T524 PolarHBondContact N-O 2.91Å; D515-T524 PolarHBondContact O-N 2.95Å; D515-S526 WeakPolarHBondContact OD2-CB 3.24Å |
| 516 | L | 95.9 | Very high | 92.7 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 121.3 | -175.9 | 178 | 57.1 | 0 | 0 | 0 | 110.4 | L490 L507 R518 G521 V522 L523 V541 | L490-L516 HydrophobicContact CD1-CD1 3.9Å; L490-L516 HydrophobicContact CD1-CD2 4.2Å; L507-L516 HydrophobicContact CD1-CB 3.79Å; L507-L516 HydrophobicContact CD2-CB 4.08Å; L507-L516 HydrophobicContact CD2-CD2 3.73Å; L507-L516 HydrophobicContact CG-CB 3.66Å; L507-L516 HydrophobicContact CG-CD2 3.75Å; L507-L516 HydrophobicContact CG-CG 4.38Å; L516-R518 PolarHBondContact O-N 2.84Å; L516-G521 WeakPolarHBondContact CD1-O 3.03Å; L516-V522 WeakPolarHBondContact CA-O 3.47Å; L516-V522 WeakPolarHBondContact CD1-O 3.21Å; L516-L523 HydrophobicContact CB-CD1 4.37Å; L516-L523 HydrophobicContact CD1-CB 4.4Å; L516-L523 HydrophobicContact CD1-CD1 4.47Å; L516-V541 HydrophobicContact CD2-CG2 3.74Å |
| 517 | D | 95.2 | Very high | 92.5 | Very high | 74 Ų | 74 | 57.9 Ų | 57.9 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | trans | -69.1 | 114.9 | 167.3 | -179.6 | -15.8 | 0 | 0 | 0 | 109.4 | K519 T520 G521 V522 | D517-K519 PolarHBondContact O-N 3.39Å; D517-K519 PolarHBondContact OD1-N 2.99Å; D517-T520 VanDerWaalsContact CB-OG1 3.25Å; D517-T520 WeakPolarHBondContact CB-OG1 3.4Å; D517-T520 PolarHBondContact OD1-N 3.02Å; D517-T520 WeakPolarHBondContact OD2-CB 3.15Å; D517-T520 VanDerWaalsContact OD2-CG2 3.24Å; D517-T520 WeakPolarHBondContact OD2-CG2 3.49Å; D517-T520 PolarHBondContact OD2-OG1 3.08Å; D517-G521 WeakPolarHBondContact O-CA 3.48Å; D517-G521 PolarHBondContact O-N 3.48Å; D517-V522 HydrophobicContact CB-CB 4.36Å; D517-V522 PolarHBondContact N-O 2.78Å | ||
| 518 | R | 94.6 | Very high | 92.4 | Very high | 162 Ų | 162 | 59.8 Ų | 59.8 | 61% | 0.611 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.8 | -176.8 | -54.5 | -168.2 | -175.3 | -170.7 | -0.2 | 114.4 | V504 Y505 L516 | V504-R518 WeakPolarHBondContact CA-O 3.14Å; V504-R518 HydrophobicContact CG1-CB 4.11Å; Y505-R518 PolarHBondContact N-O 2.72Å; Y505-R518 WeakPolarHBondContact O-CA 3.5Å; Y505-R518 WeakPolarHBondContact O-CB 3.14Å; Y505-R518 WeakPolarHBondContact O-CG 3.25Å; L516-R518 PolarHBondContact O-N 2.84Å |
| 519 | K | 92.4 | Very high | 92.6 | Very high | 139 Ų | 139 | 59 Ų | 59 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | -39.3 | 179.2 | -78.7 | -172 | 165.4 | -74.7 | 0 | 113.1 | E502 D517 | E502-K519 IonicContact OE1-NZ 3.46Å; E502-K519 PolarHBondContact OE1-NZ 2.8Å; D517-K519 PolarHBondContact O-N 3.39Å; D517-K519 PolarHBondContact OD1-N 2.99Å |
| 520 | T | 92.8 | Very high | 92.9 | Very high | 74 Ų | 74 | 58.7 Ų | 58.7 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -12.5 | -178.9 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | T489 D517 V522 | T489-T520 VanDerWaalsContact CG2-O 3.22Å; T489-T520 WeakPolarHBondContact CG2-O 3.39Å; D517-T520 VanDerWaalsContact CB-OG1 3.25Å; D517-T520 WeakPolarHBondContact CB-OG1 3.4Å; D517-T520 PolarHBondContact OD1-N 3.02Å; D517-T520 WeakPolarHBondContact OD2-CB 3.15Å; D517-T520 VanDerWaalsContact OD2-CG2 3.24Å; D517-T520 WeakPolarHBondContact OD2-CG2 3.49Å; D517-T520 PolarHBondContact OD2-OG1 3.08Å; T520-V522 PolarHBondContact O-N 3.31Å; T520-V522 WeakPolarHBondContact OG1-CG2 2.89Å |
| 521 | G | 92.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | 73.5 | 3.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | L490 L516 D517 L523 | L490-G521 WeakPolarHBondContact CB-O 2.95Å; L490-G521 PolarHBondContact N-O 3.48Å; L516-G521 WeakPolarHBondContact CD1-O 3.03Å; D517-G521 WeakPolarHBondContact O-CA 3.48Å; D517-G521 PolarHBondContact O-N 3.48Å; G521-L523 PolarHBondContact O-N 2.9Å | ||
| 522 | V | 95.8 | Very high | 93.6 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 24% | 0.242 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 118.9 | -179.7 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | F486 T489 L516 D517 T520 T524 | F486-V522 HydrophobicContact CD2-CG1 3.74Å; F486-V522 HydrophobicContact CE2-CG1 3.9Å; F486-V522 HydrophobicContact CE2-CG2 4.3Å; T489-V522 HydrophobicContact CG2-CG2 4.24Å; L516-V522 WeakPolarHBondContact CA-O 3.47Å; L516-V522 WeakPolarHBondContact CD1-O 3.21Å; D517-V522 HydrophobicContact CB-CB 4.36Å; D517-V522 PolarHBondContact N-O 2.78Å; T520-V522 PolarHBondContact O-N 3.31Å; T520-V522 WeakPolarHBondContact OG1-CG2 2.89Å; V522-T524 HydrophobicContact CG1-CG2 4.16Å |
| 523 | L | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.7 | 178.1 | -175.4 | 74.3 | 0 | 0 | 0 | 110 | L475 L487 T488 L490 L507 F514 L516 G521 F539 V557 | L475-L523 HydrophobicContact CD1-CD2 3.79Å; L487-L523 HydrophobicContact CD1-CD2 4.38Å; L487-L523 HydrophobicContact CD1-CG 4.48Å; L487-L523 PolarHBondContact N-O 2.98Å; T488-L523 HydrophobicContact CG2-CB 4.3Å; T488-L523 HydrophobicContact CG2-CD2 4.24Å; T488-L523 PolarHBondContact O-N 2.76Å; L490-L523 HydrophobicContact CD1-CB 4.19Å; L490-L523 HydrophobicContact CD1-CD1 4.34Å; L490-L523 HydrophobicContact CD1-CD2 4.38Å; L490-L523 HydrophobicContact CD2-CD2 4.48Å; L490-L523 HydrophobicContact CG-CB 4.23Å; L507-L523 HydrophobicContact CD2-CD1 3.99Å; F514-L523 HydrophobicContact CB-CD1 4Å; L516-L523 HydrophobicContact CB-CD1 4.37Å; L516-L523 HydrophobicContact CD1-CB 4.4Å; L516-L523 HydrophobicContact CD1-CD1 4.47Å; G521-L523 PolarHBondContact O-N 2.9Å; L523-F539 HydrophobicContact CD1-CE2 4.47Å; L523-F539 HydrophobicContact CD1-CZ 4.41Å; L523-F539 HydrophobicContact CD2-CZ 4.27Å; L523-V557 HydrophobicContact CD2-CG1 4.3Å |
| 524 | T | 95.1 | Very high | 93.8 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 17% | 0.172 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155.1 | 177.5 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | L485 F514 D515 V522 | L485-T524 CarbonylContact O-C 3.58Å; L485-T524 WeakPolarHBondContact O-CA 3.47Å; L485-T524 WeakPolarHBondContact O-CB 3.37Å; F514-T524 CarbonylContact C-O 3.5Å; F514-T524 VanDerWaalsContact CA-O 3.23Å; F514-T524 WeakPolarHBondContact CA-O 3.15Å; D515-T524 PolarHBondContact N-O 2.91Å; D515-T524 PolarHBondContact O-N 2.95Å; V522-T524 HydrophobicContact CG1-CG2 4.16Å |
| 525 | A | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 112.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | D484 L485 L487 R527 F529 | D484-A525 WeakPolarHBondContact CA-O 3.42Å; D484-A525 PolarHBondContact N-O 2.89Å; L485-A525 HydrophobicContact CB-CB 4.4Å; L485-A525 PolarHBondContact O-N 3.12Å; L487-A525 HydrophobicContact CD1-CB 4.33Å; L487-A525 HydrophobicContact CD2-CB 4.24Å; L487-A525 HydrophobicContact CG-CB 4.45Å; A525-R527 PolarHBondContact O-N 3.22Å; A525-F529 HydrophobicContact CB-CE2 3.58Å; A525-F529 HydrophobicContact CB-CZ 3.57Å |
| 526 | S | 92.3 | Very high | 93.5 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -79.9 | -5.7 | 178.7 | 72.2 | 0 | 0 | 0 | 0 | 113.1 | R483 F513 F514 D515 | R483-S526 WeakPolarHBondContact CG-O 3.43Å; R483-S526 PolarHBondContact NE-O 2.92Å; F513-S526 PolarHBondContact O-N 3.1Å; F513-S526 PolarHBondContact O-OG 2.84Å; F514-S526 PolarHBondContact N-OG 3.24Å; D515-S526 WeakPolarHBondContact OD2-CB 3.24Å |
| 527 | R | 90.6 | Very high | 93.4 | Very high | 138 Ų | 138 | 63.4 Ų | 63.4 | 52% | 0.521 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -135.4 | 168.5 | -179.2 | -68.1 | 179.7 | 177.6 | -108.5 | -3.6 | 111.4 | N481 F513 A525 | N481-R527 PolarHBondContact ND2-O 2.81Å; F513-R527 HydrophobicContact CD1-CB 3.98Å; F513-R527 HydrophobicContact CD1-CG 4.24Å; A525-R527 PolarHBondContact O-N 3.22Å |
| 528 | V | 92.5 | Very high | 93.4 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 47% | 0.473 | 32% | 0.316 | S | S | . | . | trans | -82.3 | 138.2 | 162.9 | -172.2 | 0 | 0 | 0 | 0 | 106.9 | N481 | N481-V528 WeakPolarHBondContact O-CG1 3.47Å; N481-V528 WeakPolarHBondContact O-CG2 3.01Å; N481-V528 WeakPolarHBondContact OD1-CA 3.43Å | ||
| 529 | F | 94.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | trans | -93 | 152 | 171.9 | -54.9 | -55.7 | 0 | 0 | 0 | 110.6 | V477 N480 N481 F513 F514 A525 F537 V561 | V477-F529 HydrophobicContact CG1-CD2 4.09Å; V477-F529 HydrophobicContact CG1-CE2 4.07Å; N480-F529 PolarHBondContact N-O 2.73Å; N481-F529 WeakPolarHBondContact OD1-CD2 3.36Å; N481-F529 WeakPolarHBondContact OD1-CG 3.39Å; N481-F529 PolarHBondContact OD1-N 3.36Å; F513-F529 HydrophobicContact CB-CE1 3.98Å; F514-F529 HydrophobicContact CD1-CZ 4.22Å; F514-F529 AromaticContact CE1-CE1 3.99Å; F514-F529 HydrophobicContact CE1-CE1 3.99Å; F514-F529 HydrophobicContact CE1-CE2 4.37Å; F514-F529 AromaticContact CE1-CZ 3.42Å; F514-F529 HydrophobicContact CE1-CZ 3.42Å; F514-F529 VanDerWaalsContact CE1-CZ 3.42Å; F514-F529 AromaticContact CZ-CE1 3.87Å; F514-F529 HydrophobicContact CZ-CE1 3.87Å; F514-F529 AromaticContact CZ-CZ 3.78Å; F514-F529 HydrophobicContact CZ-CZ 3.78Å; A525-F529 HydrophobicContact CB-CE2 3.58Å; A525-F529 HydrophobicContact CB-CZ 3.57Å; F529-F537 HydrophobicContact CD1-CD2 4.27Å; F529-F537 AromaticContact CD1-CE2 3.37Å; F529-F537 HydrophobicContact CD1-CE2 3.37Å; F529-F537 AromaticContact CD1-CZ 3.63Å; F529-F537 HydrophobicContact CD1-CZ 3.63Å; F529-F537 HydrophobicContact CE1-CD2 4.2Å; F529-F537 AromaticContact CE1-CE2 3.7Å; F529-F537 HydrophobicContact CE1-CE2 3.7Å; F529-F537 AromaticContact CE1-CZ 3.98Å; F529-F537 HydrophobicContact CE1-CZ 3.98Å; F529-F537 HydrophobicContact CG-CE2 4.17Å; F529-V561 HydrophobicContact CB-CG1 4.06Å; F529-V561 HydrophobicContact CB-CG2 4.09Å; F529-V561 HydrophobicContact CG-CG2 4.34Å | ||
| 530 | D | 93.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 52.9 Ų | 52.9 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | trans | -143.7 | 116.1 | -175.4 | 167.9 | -37.5 | 0 | 0 | 0 | 103.6 | E532 D533 Q534 | D530-E532 PolarHBondContact OD1-N 2.88Å; D530-D533 HydrophobicContact CB-CB 4.42Å; D530-D533 WeakPolarHBondContact OD1-CB 2.9Å; D530-D533 PolarHBondContact OD1-N 2.74Å; D530-Q534 PolarHBondContact O-N 2.71Å | ||
| 531 | R | 94.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -20.2 | -168.9 | -171.8 | -130 | 53.8 | 90.5 | -21.9 | 111.7 | E479 D535 V561 D563 S598 D599 | E479-R531 WeakPolarHBondContact OE2-CB 3.05Å; E479-R531 PolarHBondContact OE2-N 2.95Å; R531-D535 HydrophobicContact CG-CB 4.25Å; R531-D535 PolarHBondContact O-N 2.9Å; R531-V561 HydrophobicContact CB-CB 4.26Å; R531-V561 HydrophobicContact CB-CG1 3.77Å; R531-V561 HydrophobicContact CG-CB 4.16Å; R531-V561 HydrophobicContact CG-CG1 4.14Å; R531-D563 WeakPolarHBondContact CD-OD1 3.18Å; R531-D563 IonicContact CZ-OD1 2.99Å; R531-D563 IonicContact NE-OD1 3.43Å; R531-D563 PolarHBondContact NE-OD1 2.67Å; R531-D563 IonicContact NH2-OD1 3.45Å; R531-S598 PolarHBondContact NH2-O 2.95Å; R531-D599 VanDerWaalsContact NH2-C 3.28Å; R531-D599 VanDerWaalsContact NH2-CA 3.34Å |
| 532 | E | 93.4 | Very high | 93.8 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -35.6 | 171 | -71.2 | 61.2 | -126.1 | 0 | 0 | 111.7 | D530 | D530-E532 PolarHBondContact OD1-N 2.88Š|
| 533 | D | 92.3 | Very high | 93.8 | Very high | 133 Ų | 133 | 48.2 Ų | 48.2 | 71% | 0.711 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -47.9 | 171.4 | -167.7 | 49.8 | 0 | 0 | 0 | 111.8 | D530 | D530-D533 HydrophobicContact CB-CB 4.42Å; D530-D533 WeakPolarHBondContact OD1-CB 2.9Å; D530-D533 PolarHBondContact OD1-N 2.74Å |
| 534 | Q | 91 | Very high | 93.8 | Very high | 70 Ų | 70 | 53.4 Ų | 53.4 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | trans | -149.9 | 101.9 | -179.4 | -173.4 | 163 | -0.3 | 0 | 0 | 115.1 | D530 K536 F537 V561 | D530-Q534 PolarHBondContact O-N 2.71Å; Q534-K536 VanDerWaalsContact C-N 3.32Å; Q534-K536 WeakPolarHBondContact CG-O 3.25Å; Q534-K536 PolarHBondContact NE2-O 2.85Å; Q534-K536 PolarHBondContact O-N 2.86Å; Q534-F537 HydrophobicContact CB-CE1 4.38Å; Q534-F537 HydrophobicContact CB-CZ 4.05Å; Q534-F537 HydrophobicContact CG-CD1 4.34Å; Q534-F537 HydrophobicContact CG-CE1 3.95Å; Q534-F537 HydrophobicContact CG-CE2 4.31Å; Q534-F537 HydrophobicContact CG-CZ 3.93Å; Q534-F537 VanDerWaalsContact OE1-CE1 3.24Å; Q534-V561 WeakPolarHBondContact O-CG2 3.43Å | ||
| 535 | D | 91.3 | Very high | 93.8 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 40% | 0.401 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -62.7 | -31.6 | 176.8 | 84.5 | -48.9 | 0 | 0 | 0 | 114.3 | R531 V561 | R531-D535 HydrophobicContact CG-CB 4.25Å; R531-D535 PolarHBondContact O-N 2.9Å; D535-V561 WeakPolarHBondContact O-CB 3.28Å; D535-V561 PolarHBondContact O-N 2.94Å |
| 536 | K | 93.3 | Very high | 93.8 | Very high | 102 Ų | 102 | 56 Ų | 56 | 44% | 0.443 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 133.9 | -171.8 | -75.9 | 169.1 | -169.1 | 160.4 | 0 | 114.1 | Q534 V559 T560 | Q534-K536 VanDerWaalsContact C-N 3.32Å; Q534-K536 WeakPolarHBondContact CG-O 3.25Å; Q534-K536 PolarHBondContact NE2-O 2.85Å; Q534-K536 PolarHBondContact O-N 2.86Å; K536-V559 WeakPolarHBondContact CA-O 3.37Å; K536-T560 HydrophobicContact CG-CG2 4.23Å |
| 537 | F | 93.5 | Very high | 93.7 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.4 | 168.2 | -55.4 | -92.4 | 0 | 0 | 0 | 110.3 | F513 F514 F529 Q534 F539 V559 V561 | F513-F537 HydrophobicContact CB-CE1 4.25Å; F513-F537 AromaticContact CD1-CE1 3.87Å; F513-F537 HydrophobicContact CD1-CE1 3.87Å; F513-F537 HydrophobicContact CD1-CZ 4.08Å; F513-F537 HydrophobicContact CD2-CD1 4.29Å; F513-F537 AromaticContact CD2-CE1 3.82Å; F513-F537 HydrophobicContact CD2-CE1 3.82Å; F513-F537 HydrophobicContact CE1-CE1 4.14Å; F513-F537 HydrophobicContact CE1-CZ 4.39Å; F513-F537 HydrophobicContact CE2-CE1 4.1Å; F513-F537 HydrophobicContact CG-CD1 4.36Å; F513-F537 AromaticContact CG-CE1 3.73Å; F513-F537 HydrophobicContact CG-CE1 3.73Å; F513-F537 HydrophobicContact CG-CZ 4.32Å; F513-F537 HydrophobicContact CZ-CE1 4.25Å; F514-F537 HydrophobicContact CE2-CB 3.73Å; F514-F537 HydrophobicContact CE2-CD1 4.08Å; F514-F537 HydrophobicContact CE2-CD2 4.45Å; F514-F537 AromaticContact CE2-CG 3.83Å; F514-F537 HydrophobicContact CE2-CG 3.83Å; F514-F537 HydrophobicContact CZ-CB 3.77Å; F514-F537 HydrophobicContact CZ-CD1 4.36Å; F514-F537 AromaticContact CZ-CD2 3.93Å; F514-F537 HydrophobicContact CZ-CD2 3.93Å; F514-F537 AromaticContact CZ-CG 3.75Å; F514-F537 HydrophobicContact CZ-CG 3.75Å; F529-F537 HydrophobicContact CD1-CD2 4.27Å; F529-F537 AromaticContact CD1-CE2 3.37Å; F529-F537 HydrophobicContact CD1-CE2 3.37Å; F529-F537 AromaticContact CD1-CZ 3.63Å; F529-F537 HydrophobicContact CD1-CZ 3.63Å; F529-F537 HydrophobicContact CE1-CD2 4.2Å; F529-F537 AromaticContact CE1-CE2 3.7Å; F529-F537 HydrophobicContact CE1-CE2 3.7Å; F529-F537 AromaticContact CE1-CZ 3.98Å; F529-F537 HydrophobicContact CE1-CZ 3.98Å; F529-F537 HydrophobicContact CG-CE2 4.17Å; Q534-F537 HydrophobicContact CB-CE1 4.38Å; Q534-F537 HydrophobicContact CB-CZ 4.05Å; Q534-F537 HydrophobicContact CG-CD1 4.34Å; Q534-F537 HydrophobicContact CG-CE1 3.95Å; Q534-F537 HydrophobicContact CG-CE2 4.31Å; Q534-F537 HydrophobicContact CG-CZ 3.93Å; Q534-F537 VanDerWaalsContact OE1-CE1 3.24Å; F537-F539 HydrophobicContact CB-CD1 4.45Å; F537-V559 HydrophobicContact CB-CB 4.22Å; F537-V559 HydrophobicContact CD2-CB 4.44Å; F537-V559 HydrophobicContact CD2-CG1 4.48Å; F537-V559 PolarHBondContact N-O 3.46Å; F537-V559 PolarHBondContact O-N 2.92Å; F537-V561 HydrophobicContact CD2-CG2 4.15Å; F537-V561 HydrophobicContact CE2-CG2 3.7Å |
| 538 | L | 94.4 | Very high | 93.7 | Very high | 112 Ų | 112 | 54.9 Ų | 54.9 | 59% | 0.586 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 114.3 | 178.5 | -179.9 | 68.3 | 0 | 0 | 0 | 109.1 | T556 I558 | L538-T556 HydrophobicContact CD1-CG2 3.47Å; L538-T556 VanDerWaalsContact CD1-CG2 3.47Å; L538-I558 HydrophobicContact CD1-CD1 4.46Å; L538-I558 HydrophobicContact CD1-CG1 3.86Å |
| 539 | F | 94.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 165 | 177.9 | 59.9 | -85.8 | 0 | 0 | 0 | 110.7 | L507 A511 F514 L523 F537 V557 V559 | L507-F539 HydrophobicContact CD2-CD2 4.02Å; L507-F539 HydrophobicContact CD2-CE2 3.62Å; A511-F539 HydrophobicContact CB-CB 3.97Å; A511-F539 HydrophobicContact CB-CD1 4.41Å; A511-F539 HydrophobicContact CB-CD2 3.65Å; A511-F539 HydrophobicContact CB-CE2 4.21Å; A511-F539 HydrophobicContact CB-CG 3.77Å; F514-F539 HydrophobicContact CB-CZ 4.44Å; F514-F539 HydrophobicContact CD1-CE1 4.37Å; F514-F539 HydrophobicContact CD1-CZ 4.28Å; F514-F539 HydrophobicContact CD2-CD1 4.03Å; F514-F539 AromaticContact CD2-CE1 3.42Å; F514-F539 HydrophobicContact CD2-CE1 3.42Å; F514-F539 VanDerWaalsContact CD2-CE1 3.42Å; F514-F539 AromaticContact CD2-CZ 3.75Å; F514-F539 HydrophobicContact CD2-CZ 3.75Å; F514-F539 HydrophobicContact CE1-CE1 4.29Å; F514-F539 AromaticContact CE2-CD1 3.91Å; F514-F539 HydrophobicContact CE2-CD1 3.91Å; F514-F539 AromaticContact CE2-CE1 3.34Å; F514-F539 HydrophobicContact CE2-CE1 3.34Å; F514-F539 HydrophobicContact CE2-CZ 4.1Å; F514-F539 AromaticContact CG-CE1 3.98Å; F514-F539 HydrophobicContact CG-CE1 3.98Å; F514-F539 AromaticContact CG-CZ 3.87Å; F514-F539 HydrophobicContact CG-CZ 3.87Å; F514-F539 AromaticContact CZ-CE1 3.82Å; F514-F539 HydrophobicContact CZ-CE1 3.82Å; F514-F539 HydrophobicContact CZ-CZ 4.5Å; L523-F539 HydrophobicContact CD1-CE2 4.47Å; L523-F539 HydrophobicContact CD1-CZ 4.41Å; L523-F539 HydrophobicContact CD2-CZ 4.27Å; F537-F539 HydrophobicContact CB-CD1 4.45Å; F539-V557 HydrophobicContact CD1-CB 4.5Å; F539-V557 HydrophobicContact CD2-CB 4.09Å; F539-V557 HydrophobicContact CD2-CG2 4.32Å; F539-V557 HydrophobicContact CE1-CB 4.1Å; F539-V557 HydrophobicContact CE1-CG1 4.05Å; F539-V557 HydrophobicContact CE2-CB 3.66Å; F539-V557 HydrophobicContact CE2-CG1 4.06Å; F539-V557 HydrophobicContact CE2-CG2 3.81Å; F539-V557 HydrophobicContact CG-CB 4.5Å; F539-V557 HydrophobicContact CZ-CB 3.67Å; F539-V557 HydrophobicContact CZ-CG1 3.6Å; F539-V557 HydrophobicContact CZ-CG2 4.23Å; F539-V557 PolarHBondContact N-O 3.31Å; F539-V557 PolarHBondContact O-N 3.4Å; F539-V559 HydrophobicContact CE1-CG2 3.95Å; F539-V559 HydrophobicContact CZ-CG2 4.4Å |
| 540 | T | 95.3 | Very high | 93.6 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 150 | 171.8 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | G508 A555 | G508-T540 WeakPolarHBondContact CA-O 3.12Å; G508-T540 PolarHBondContact N-O 2.88Å; T540-A555 CarbonylContact C-O 3.6Å; T540-A555 VanDerWaalsContact CA-O 3.32Å; T540-A555 WeakPolarHBondContact CA-O 3.4Å |
| 541 | V | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.4 | 161.3 | 60.3 | 0 | 0 | 0 | 0 | 108.2 | F468 L490 L516 Q554 A555 V557 | F468-V541 HydrophobicContact CE1-CG1 3.85Å; F468-V541 HydrophobicContact CE1-CG2 4.45Å; F468-V541 HydrophobicContact CE2-CG1 4.16Å; F468-V541 HydrophobicContact CZ-CB 4.29Å; F468-V541 HydrophobicContact CZ-CG1 3.55Å; F468-V541 HydrophobicContact CZ-CG2 3.97Å; L490-V541 HydrophobicContact CD1-CB 4.13Å; L490-V541 HydrophobicContact CD1-CG1 4.16Å; L490-V541 HydrophobicContact CD1-CG2 3.84Å; L516-V541 HydrophobicContact CD2-CG2 3.74Å; V541-Q554 CarbonylContact O-C 3.5Å; V541-Q554 VanDerWaalsContact O-CA 3.24Å; V541-Q554 WeakPolarHBondContact O-CA 3.5Å; V541-A555 HydrophobicContact CG1-CB 3.99Å; V541-A555 PolarHBondContact N-O 3.43Å; V541-A555 PolarHBondContact O-N 3.1Å; V541-V557 HydrophobicContact CB-CG2 4.35Å; V541-V557 HydrophobicContact CG1-CG2 3.94Å |
| 542 | T | 95.4 | Very high | 93.7 | Very high | 15 Ų | 15 | 59 Ų | 59 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.2 | 171.6 | -50.8 | 0 | 0 | 0 | 0 | 108.7 | Y505 Q506 R544 Q552 T553 Q554 | Y505-T542 WeakPolarHBondContact CA-O 3.18Å; Q506-T542 PolarHBondContact N-O 2.72Å; Q506-T542 PolarHBondContact O-N 2.83Å; T542-R544 HydrophobicContact CG2-CB 4.45Å; T542-Q552 HydrophobicContact CG2-CB 3.9Å; T542-T553 WeakPolarHBondContact CA-O 3.16Å; T542-Q554 HydrophobicContact CG2-CG 4.19Å |
| 543 | A | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.1 | 160 | 0 | 0 | 0 | 0 | 0 | 107 | P466 F468 A492 I503 Y505 Q552 T553 | P466-A543 HydrophobicContact CB-CB 3.9Å; F468-A543 HydrophobicContact CD2-CB 4.26Å; F468-A543 HydrophobicContact CE1-CB 4.1Å; F468-A543 HydrophobicContact CE2-CB 3.5Å; F468-A543 HydrophobicContact CZ-CB 3.4Å; F468-A543 VanDerWaalsContact CZ-CB 3.4Å; A492-A543 HydrophobicContact CB-CB 3.67Å; I503-A543 HydrophobicContact CG2-CB 3.9Å; Y505-A543 HydrophobicContact CD1-CB 4.13Å; Y505-A543 HydrophobicContact CE1-CB 4.08Å; A543-Q552 CarbonylContact O-C 3.45Å; A543-Q552 VanDerWaalsContact O-CA 3.22Å; A543-Q552 WeakPolarHBondContact O-CA 3.47Å; A543-Q552 WeakPolarHBondContact O-CB 3.44Å; A543-T553 PolarHBondContact N-O 3.05Å; A543-T553 PolarHBondContact O-N 2.82Å |
| 544 | R | 95.3 | Very high | 93.9 | Very high | 109 Ų | 109 | 56.9 Ų | 56.9 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 139.5 | -174.2 | 166.1 | 166.8 | 163.4 | 179.7 | -5.9 | 109.3 | I503 V504 T542 L551 Q552 | I503-R544 CarbonylContact C-O 3.55Å; I503-R544 WeakPolarHBondContact CA-O 3.44Å; V504-R544 PolarHBondContact N-O 2.85Å; V504-R544 PolarHBondContact O-N 3.31Å; V504-R544 VanDerWaalsContact O-N 3.11Å; T542-R544 HydrophobicContact CG2-CB 4.45Å; R544-L551 WeakPolarHBondContact CA-O 3.31Å; R544-Q552 HydrophobicContact CB-CB 3.8Å; R544-Q552 HydrophobicContact CG-CB 4.19Å |
| 545 | D | 96.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | trans | -75.2 | -177.2 | 175.2 | 62.3 | 48.9 | 0 | 0 | 0 | 114.2 | N462 P466 N500 G547 P550 L551 | N462-D545 PolarHBondContact ND2-OD2 2.63Å; N462-D545 PolarHBondContact OD1-OD2 2.77Å; P466-D545 HydrophobicContact CG-CB 4.25Å; N500-D545 WeakPolarHBondContact O-CB 3.32Å; D545-G547 PolarHBondContact OD1-N 2.71Å; D545-P550 WeakPolarHBondContact OD1-CA 3.49Å; D545-P550 WeakPolarHBondContact OD1-CB 3.45Å; D545-L551 PolarHBondContact N-O 2.56Å; D545-L551 PolarHBondContact OD1-N 3.42Å; D545-L551 VanDerWaalsContact OD2-CA 3.24Å; D545-L551 WeakPolarHBondContact OD2-CA 3.4Å; D545-L551 VanDerWaalsContact OD2-CB 3.24Å; D545-L551 WeakPolarHBondContact OD2-CB 3.3Å; D545-L551 PolarHBondContact OD2-N 2.81Å | ||
| 546 | N | 93.4 | Very high | 94.3 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -112.8 | 25.9 | 172 | -156.9 | 13.1 | 0 | 0 | 0 | 112.2 | K499 E502 | K499-N546 CarbonylContact O-C 3.56Å; K499-N546 WeakPolarHBondContact O-CB 3.46Å; K499-N546 PolarHBondContact O-N 3.5Å; E502-N546 HydrophobicContact CB-CB 3.92Å; E502-N546 PolarHBondContact O-N 3.17Å; E502-N546 PolarHBondContact OE2-ND2 3.34Å |
| 547 | G | 91.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -89.1 | -173.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | N462 D545 | N462-G547 VanDerWaalsContact OD1-CA 3.25Å; N462-G547 WeakPolarHBondContact OD1-CA 3.43Å; D545-G547 PolarHBondContact OD1-N 2.71Å |
| 548 | T | 88.6 | Confident | 94.5 | Very high | 128 Ų | 128 | 49 Ų | 49 | 79% | 0.785 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -144.6 | 106 | -176.9 | 55 | 0 | 0 | 0 | 0 | 112.4 | ||
| 549 | P | 92.5 | Very high | 94.6 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 60% | 0.597 | 24% | 0.237 | S | C | * | . | S | Bend | cis | -68.3 | 148.3 | -4 | 32 | -35.9 | 0 | 0 | 0 | 111.6 | ||
| 550 | P | 93.8 | Very high | 94.6 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -80.6 | 133.2 | 179.8 | 31.1 | -33.8 | 0 | 0 | 0 | 112.1 | D545 | D545-P550 WeakPolarHBondContact OD1-CA 3.49Å; D545-P550 WeakPolarHBondContact OD1-CB 3.45Å |
| 551 | L | 94.6 | Very high | 94.6 | Very high | 52 Ų | 52 | 44 Ų | 44 | 27% | 0.272 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -96.5 | 161.9 | 174 | -55.3 | 177.5 | 0 | 0 | 0 | 111 | N462 N464 P465 R544 D545 | N462-L551 WeakPolarHBondContact ND2-CD1 3.39Å; N462-L551 WeakPolarHBondContact ND2-CG 3.41Å; N464-L551 WeakPolarHBondContact O-CD1 3.45Å; P465-L551 HydrophobicContact CB-CB 3.98Å; P465-L551 HydrophobicContact CB-CD1 4.42Å; R544-L551 WeakPolarHBondContact CA-O 3.31Å; D545-L551 PolarHBondContact N-O 2.56Å; D545-L551 PolarHBondContact OD1-N 3.42Å; D545-L551 VanDerWaalsContact OD2-CA 3.24Å; D545-L551 WeakPolarHBondContact OD2-CA 3.4Å; D545-L551 VanDerWaalsContact OD2-CB 3.24Å; D545-L551 WeakPolarHBondContact OD2-CB 3.3Å; D545-L551 PolarHBondContact OD2-N 2.81Å |
| 552 | Q | 95.2 | Very high | 94.5 | Very high | 98 Ų | 98 | 47.3 Ų | 47.3 | 46% | 0.458 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 142.1 | -175 | 46 | 164.3 | 75.1 | 0 | 0 | 113.2 | T542 A543 R544 | T542-Q552 HydrophobicContact CG2-CB 3.9Å; A543-Q552 CarbonylContact O-C 3.45Å; A543-Q552 VanDerWaalsContact O-CA 3.22Å; A543-Q552 WeakPolarHBondContact O-CA 3.47Å; A543-Q552 WeakPolarHBondContact O-CB 3.44Å; R544-Q552 HydrophobicContact CB-CB 3.8Å; R544-Q552 HydrophobicContact CG-CB 4.19Å |
| 553 | T | 95.7 | Very high | 94.3 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 155.9 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | P466 F468 T542 A543 | P466-T553 WeakPolarHBondContact O-CB 3.4Å; P466-T553 PolarHBondContact O-OG1 2.74Å; F468-T553 HydrophobicContact CD2-CG2 4.48Å; T542-T553 WeakPolarHBondContact CA-O 3.16Å; A543-T553 PolarHBondContact N-O 3.05Å; A543-T553 PolarHBondContact O-N 2.82Å |
| 554 | Q | 95.1 | Very high | 94.1 | Very high | 109 Ų | 109 | 52.3 Ų | 52.3 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.8 | 176.2 | -61.4 | -174.6 | 2.6 | 0 | 0 | 111.4 | V541 T542 | V541-Q554 CarbonylContact O-C 3.5Å; V541-Q554 VanDerWaalsContact O-CA 3.24Å; V541-Q554 WeakPolarHBondContact O-CA 3.5Å; T542-Q554 HydrophobicContact CG2-CG 4.19Å |
| 555 | A | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 152.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110 | F468 P471 I473 T540 V541 | F468-A555 HydrophobicContact CB-CB 3.98Å; F468-A555 HydrophobicContact CD1-CB 4.18Å; F468-A555 HydrophobicContact CD2-CB 3.49Å; F468-A555 VanDerWaalsContact CD2-CB 3.49Å; F468-A555 HydrophobicContact CE2-CB 3.93Å; F468-A555 HydrophobicContact CG-CB 3.62Å; F468-A555 HydrophobicContact CZ-CB 4.46Å; P471-A555 WeakPolarHBondContact O-CA 3.45Å; I473-A555 HydrophobicContact CD1-CB 4.3Å; T540-A555 CarbonylContact C-O 3.6Å; T540-A555 VanDerWaalsContact CA-O 3.32Å; T540-A555 WeakPolarHBondContact CA-O 3.4Å; V541-A555 HydrophobicContact CG1-CB 3.99Å; V541-A555 PolarHBondContact N-O 3.43Å; V541-A555 PolarHBondContact O-N 3.1Å |
| 556 | T | 95.3 | Very high | 93.7 | Very high | 47 Ų | 47 | 51.6 Ų | 51.6 | 29% | 0.288 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.1 | 177.8 | -57 | 0 | 0 | 0 | 0 | 109.5 | P471 V472 I473 L538 I558 | P471-T556 PolarHBondContact O-N 3.44Å; V472-T556 CarbonylContact C-O 3.54Å; V472-T556 VanDerWaalsContact CA-O 3.3Å; V472-T556 WeakPolarHBondContact CA-O 3.43Å; I473-T556 PolarHBondContact N-O 2.68Å; L538-T556 HydrophobicContact CD1-CG2 3.47Å; L538-T556 VanDerWaalsContact CD1-CG2 3.47Å; T556-I558 HydrophobicContact CG2-CG1 4.2Å |
| 557 | V | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.6 | 174.3 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | I473 L475 L523 F539 V541 V559 | I473-V557 WeakPolarHBondContact O-CA 3.34Å; L475-V557 HydrophobicContact CD1-CG1 3.79Å; L523-V557 HydrophobicContact CD2-CG1 4.3Å; F539-V557 HydrophobicContact CD1-CB 4.5Å; F539-V557 HydrophobicContact CD2-CB 4.09Å; F539-V557 HydrophobicContact CD2-CG2 4.32Å; F539-V557 HydrophobicContact CE1-CB 4.1Å; F539-V557 HydrophobicContact CE1-CG1 4.05Å; F539-V557 HydrophobicContact CE2-CB 3.66Å; F539-V557 HydrophobicContact CE2-CG1 4.06Å; F539-V557 HydrophobicContact CE2-CG2 3.81Å; F539-V557 HydrophobicContact CG-CB 4.5Å; F539-V557 HydrophobicContact CZ-CB 3.67Å; F539-V557 HydrophobicContact CZ-CG1 3.6Å; F539-V557 HydrophobicContact CZ-CG2 4.23Å; F539-V557 PolarHBondContact N-O 3.31Å; F539-V557 PolarHBondContact O-N 3.4Å; V541-V557 HydrophobicContact CB-CG2 4.35Å; V541-V557 HydrophobicContact CG1-CG2 3.94Å; V557-V559 HydrophobicContact CG1-CG2 4.06Å |
| 558 | I | 95.3 | Very high | 93.5 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 98.7 | 177.9 | -50.4 | -176.5 | 0 | 0 | 0 | 107.4 | V472 I473 E474 L475 L538 T556 | V472-I558 HydrophobicContact CG1-CD1 3.57Å; V472-I558 HydrophobicContact CG1-CG1 3.98Å; I473-I558 PolarHBondContact O-N 2.83Å; E474-I558 WeakPolarHBondContact CA-O 3.26Å; E474-I558 HydrophobicContact CG-CB 4.4Å; L475-I558 PolarHBondContact N-O 3.19Å; L538-I558 HydrophobicContact CD1-CD1 4.46Å; L538-I558 HydrophobicContact CD1-CG1 3.86Å; T556-I558 HydrophobicContact CG2-CG1 4.2Å |
| 559 | V | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 117.7 | 172.9 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | L475 V477 F514 K536 F537 F539 V557 | L475-V559 HydrophobicContact CB-CG2 4.25Å; L475-V559 HydrophobicContact CD1-CG2 4.25Å; L475-V559 WeakPolarHBondContact O-CA 3.45Å; V477-V559 HydrophobicContact CB-CG1 4.38Å; V477-V559 HydrophobicContact CG2-CG1 3.74Å; F514-V559 HydrophobicContact CE1-CB 4.29Å; F514-V559 HydrophobicContact CE1-CG1 4.22Å; F514-V559 HydrophobicContact CE1-CG2 3.7Å; F514-V559 HydrophobicContact CZ-CB 4.03Å; F514-V559 HydrophobicContact CZ-CG1 4.23Å; F514-V559 HydrophobicContact CZ-CG2 3.73Å; K536-V559 WeakPolarHBondContact CA-O 3.37Å; F537-V559 HydrophobicContact CB-CB 4.22Å; F537-V559 HydrophobicContact CD2-CB 4.44Å; F537-V559 HydrophobicContact CD2-CG1 4.48Å; F537-V559 PolarHBondContact N-O 3.46Å; F537-V559 PolarHBondContact O-N 2.92Å; F539-V559 HydrophobicContact CE1-CG2 3.95Å; F539-V559 HydrophobicContact CZ-CG2 4.4Å; V557-V559 HydrophobicContact CG1-CG2 4.06Å |
| 560 | T | 95.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.7 | 172.3 | -60.7 | 0 | 0 | 0 | 0 | 108.1 | L475 P476 V477 K536 | L475-T560 PolarHBondContact O-N 2.98Å; P476-T560 WeakPolarHBondContact CA-O 3.28Å; V477-T560 PolarHBondContact N-O 2.96Å; K536-T560 HydrophobicContact CG-CG2 4.23Å |
| 561 | V | 94.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 131.9 | 172.6 | -168.9 | 0 | 0 | 0 | 0 | 108.1 | V477 E479 F529 R531 Q534 D535 F537 | V477-V561 CarbonylContact O-C 3.55Å; V477-V561 VanDerWaalsContact O-CA 3.31Å; V477-V561 WeakPolarHBondContact O-CA 3.09Å; E479-V561 HydrophobicContact CB-CG1 3.62Å; F529-V561 HydrophobicContact CB-CG1 4.06Å; F529-V561 HydrophobicContact CB-CG2 4.09Å; F529-V561 HydrophobicContact CG-CG2 4.34Å; R531-V561 HydrophobicContact CB-CB 4.26Å; R531-V561 HydrophobicContact CB-CG1 3.77Å; R531-V561 HydrophobicContact CG-CB 4.16Å; R531-V561 HydrophobicContact CG-CG1 4.14Å; Q534-V561 WeakPolarHBondContact O-CG2 3.43Å; D535-V561 WeakPolarHBondContact O-CB 3.28Å; D535-V561 PolarHBondContact O-N 2.94Å; F537-V561 HydrophobicContact CD2-CG2 4.15Å; F537-V561 HydrophobicContact CE2-CG2 3.7Å |
| 562 | L | 93.5 | Very high | 93.4 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 37% | 0.372 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141.5 | 176.1 | -64.6 | -174.1 | 0 | 0 | 0 | 110 | P476 V477 M478 E479 | P476-L562 HydrophobicContact CB-CD1 3.85Å; P476-L562 HydrophobicContact CB-CG 4.16Å; V477-L562 PolarHBondContact O-N 3.11Å; M478-L562 HydrophobicContact CE-CD1 4.45Å; M478-L562 HydrophobicContact SD-CB 3.45Å; M478-L562 WeakPolarHBondContact SD-CB 3.26Å; M478-L562 HydrophobicContact SD-CD1 3.84Å; M478-L562 HydrophobicContact SD-CG 4.29Å; E479-L562 PolarHBondContact N-O 2.78Å; E479-L562 VanDerWaalsContact N-O 3.08Å |
| 563 | D | 92.9 | Very high | 93.1 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.193 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -77 | 126.5 | -169 | -165.4 | 88 | 0 | 0 | 0 | 112.7 | E479 R531 A600 N603 | E479-D563 VanDerWaalsContact OE1-CA 3.24Å; E479-D563 WeakPolarHBondContact OE1-CA 3.35Å; R531-D563 WeakPolarHBondContact CD-OD1 3.18Å; R531-D563 IonicContact CZ-OD1 2.99Å; R531-D563 IonicContact NE-OD1 3.43Å; R531-D563 PolarHBondContact NE-OD1 2.67Å; R531-D563 IonicContact NH2-OD1 3.45Å; D563-A600 HydrophobicContact CB-CB 4.22Å; D563-A600 VanDerWaalsContact CG-N 3.31Å; D563-A600 WeakPolarHBondContact OD1-CB 3.13Å; D563-A600 PolarHBondContact OD1-N 3.03Å; D563-A600 PolarHBondContact OD2-N 3.42Å; D563-N603 VanDerWaalsContact OD2-CB 3.29Å; D563-N603 WeakPolarHBondContact OD2-CB 3.05Å; D563-N603 PolarHBondContact OD2-ND2 2.97Å |
| 564 | E | 91.3 | Very high | 92.7 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | trans | -112.7 | 144.6 | 166.1 | -65.6 | -159.9 | 169.9 | 0 | 0 | 110.6 | M478 E479 D566 | M478-E564 HydrophobicContact CB-CG 4.48Å; E479-E564 HydrophobicContact CG-CB 4.22Å; E479-E564 HydrophobicContact CG-CG 4.42Å; E479-E564 PolarHBondContact OE1-N 3.45Å; E564-D566 VanDerWaalsContact C-N 3.29Å; E564-D566 PolarHBondContact O-N 2.87Å | ||
| 565 | N | 92.5 | Very high | 92.6 | Very high | 20 Ų | 20 | 53 Ų | 53 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -78.1 | 71.6 | -173.3 | -162.1 | 82.2 | 0 | 0 | 0 | 111.7 | D599 N603 D648 G650 P652 | N565-D599 WeakPolarHBondContact CA-OD2 3.28Å; N565-N603 HydrophobicContact CB-CB 4.11Å; N565-N603 PolarHBondContact N-ND2 3.32Å; N565-N603 WeakPolarHBondContact OD1-CA 3.32Å; N565-N603 WeakPolarHBondContact OD1-CB 3.48Å; N565-N603 VanDerWaalsContact OD1-CG 3.28Å; N565-N603 PolarHBondContact OD1-OD1 2.87Å; N565-D648 PolarHBondContact ND2-OD1 2.8Å; N565-D648 PolarHBondContact OD1-OD1 3.36Å; N565-G650 WeakPolarHBondContact OD1-CA 3.46Å; N565-P652 PolarHBondContact ND2-O 3.09Å |
| 566 | D | 90.4 | Very high | 92.4 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | trans | -105.6 | -21.2 | -171.6 | 108.9 | -17.3 | 0 | 0 | 0 | 114.4 | N480 E564 | N480-D566 PolarHBondContact ND2-OD2 2.9Å; E564-D566 VanDerWaalsContact C-N 3.29Å; E564-D566 PolarHBondContact O-N 2.87Å | ||
| 567 | N | 91 | Very high | 92.3 | Very high | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -80.2 | -175.2 | 169.2 | -66.5 | -90.3 | 0 | 0 | 0 | 111.3 | S598 D599 C654 | N567-S598 PolarHBondContact OD1-OG 3.5Å; N567-D599 WeakPolarHBondContact CB-OD1 3.12Å; N567-D599 PolarHBondContact ND2-OD1 3.33Å; N567-C654 WeakPolarHBondContact O-CB 3.24Å; N567-C654 PolarHBondContact O-SG 3.33Å |
| 568 | N | 90.9 | Very high | 92.2 | Very high | 84 Ų | 84 | 58.6 Ų | 58.6 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | trans | -138.8 | 140.5 | 179.3 | -82.5 | -104.9 | 0 | 0 | 0 | 109.5 | K570 C654 S655 | N568-K570 PolarHBondContact O-N 3.24Å; N568-C654 HydrophobicContact CB-CB 4.45Å; N568-C654 WeakPolarHBondContact OD1-CB 3.19Å; N568-S655 PolarHBondContact OD1-N 2.84Å; N568-S655 PolarHBondContact OD1-O 2.95Å | ||
| 569 | P | 93.6 | Very high | 92 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | trans | -52.3 | 122.9 | 179.7 | -27.8 | 30.4 | 0 | 0 | 0 | 111.9 | V595 D597 V606 A646 D648 S656 | P569-V595 HydrophobicContact CB-CG1 3.83Å; P569-D597 WeakPolarHBondContact CA-OD2 3.45Å; P569-D597 WeakPolarHBondContact CD-OD2 3.39Å; P569-D597 WeakPolarHBondContact CG-OD2 3.05Å; P569-V606 HydrophobicContact CB-CG1 4.13Å; P569-V606 HydrophobicContact CB-CG2 3.91Å; P569-V606 HydrophobicContact CG-CG2 4.08Å; P569-A646 HydrophobicContact CB-CB 3.71Å; P569-D648 WeakPolarHBondContact CD-OD2 3.33Å; P569-D648 HydrophobicContact CG-CB 4.05Å; P569-D648 WeakPolarHBondContact CG-OD2 3.42Å; P569-S656 WeakPolarHBondContact O-CB 3.49Å; P569-S656 PolarHBondContact O-OG 3.31Å | ||
| 570 | K | 92 | Very high | 91.8 | Very high | 147 Ų | 147 | 63.3 Ų | 63.3 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 110.8 | -171.2 | -170.2 | 172.8 | -178.6 | 175.4 | 0 | 112.1 | N568 V595 T596 | N568-K570 PolarHBondContact O-N 3.24Å; K570-V595 WeakPolarHBondContact O-CA 3.2Å; K570-T596 WeakPolarHBondContact CA-O 3.5Å; K570-T596 WeakPolarHBondContact CB-O 3.48Å; K570-T596 PolarHBondContact N-O 2.88Å; K570-T596 PolarHBondContact O-N 2.83Å; K570-T596 PolarHBondContact O-OG1 3.17Å |
| 571 | F | 92.4 | Very high | 91.4 | Very high | 14 Ų | 14 | 63.8 Ų | 63.8 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 143.1 | 169.2 | -70.9 | -89.9 | 0 | 0 | 0 | 110.7 | H573 F576 I593 V595 V644 A646 S656 A658 | F571-H573 WeakPolarHBondContact CB-O 3.36Å; F571-H573 PolarHBondContact O-N 3.41Å; F571-F576 HydrophobicContact CB-CE2 4.29Å; F571-F576 AromaticContact CD1-CE2 3.81Å; F571-F576 HydrophobicContact CD1-CE2 3.81Å; F571-F576 HydrophobicContact CD1-CZ 4.3Å; F571-F576 HydrophobicContact CG-CE2 4.44Å; F571-I593 HydrophobicContact CE1-CD1 4.3Å; F571-V595 HydrophobicContact CD1-CG2 3.34Å; F571-V595 HydrophobicContact CD2-CG2 4.33Å; F571-V595 HydrophobicContact CE1-CG2 3.41Å; F571-V595 VanDerWaalsContact CE1-CG2 3.41Å; F571-V595 HydrophobicContact CE2-CG2 4.39Å; F571-V595 HydrophobicContact CG-CG2 3.83Å; F571-V595 HydrophobicContact CZ-CG2 3.96Å; F571-V644 HydrophobicContact CE1-CG2 3.64Å; F571-V644 HydrophobicContact CZ-CB 4.47Å; F571-V644 HydrophobicContact CZ-CG2 3.85Å; F571-V644 WeakPolarHBondContact CZ-O 3.39Å; F571-A646 HydrophobicContact CE2-CB 3.64Å; F571-A646 HydrophobicContact CZ-CB 3.69Å; F571-S656 VanDerWaalsContact CD2-OG 3.23Å; F571-S656 WeakPolarHBondContact CD2-OG 3.41Å; F571-S656 VanDerWaalsContact CE2-OG 3.25Å; F571-S656 WeakPolarHBondContact CE2-OG 3.44Å; F571-A658 HydrophobicContact CB-CB 3.97Å; F571-A658 HydrophobicContact CD1-CB 3.63Å; F571-A658 HydrophobicContact CD2-CB 3.6Å; F571-A658 HydrophobicContact CE1-CB 3.96Å; F571-A658 HydrophobicContact CE2-CB 3.93Å; F571-A658 HydrophobicContact CG-CB 3.45Å; F571-A658 VanDerWaalsContact CG-CB 3.45Å; F571-A658 HydrophobicContact CZ-CB 4.1Å |
| 572 | T | 89.3 | Confident | 90.8 | Very high | 69 Ų | 69 | 63.8 Ų | 63.8 | 42% | 0.423 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -65 | -25 | 174.4 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | T594 | T572-T594 WeakPolarHBondContact CG2-OG1 3.38Å; T572-T594 PolarHBondContact N-O 2.83Å; T572-T594 PolarHBondContact OG1-O 2.97Å; T572-T594 PolarHBondContact OG1-OG1 2.87Å |
| 573 | H | 88.8 | Confident | 90.3 | Very high | 109 Ų | 109 | 65 Ų | 65 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | trans | -141.1 | 138.5 | 178.6 | -57.9 | 77.9 | 0 | 0 | 0 | 109.8 | F571 H575 F576 | F571-H573 WeakPolarHBondContact CB-O 3.36Å; F571-H573 PolarHBondContact O-N 3.41Å; H573-H575 PolarHBondContact O-N 2.97Å; H573-F576 HydrophobicContact CB-CD1 4.33Å; H573-F576 HydrophobicContact CB-CD2 4.44Å; H573-F576 HydrophobicContact CB-CE1 4.04Å; H573-F576 HydrophobicContact CB-CE2 4.16Å; H573-F576 HydrophobicContact CB-CZ 3.95Å; H573-F576 AromaticContact ND1-CE1 3.77Å; H573-F576 WeakPolarHBondContact O-CE2 3.45Å | ||
| 574 | N | 86.5 | Confident | 89.8 | Confident | 144 Ų | 144 | 65.4 Ų | 65.4 | 77% | 0.77 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -70.9 | -20.1 | 174.9 | -62.3 | -0.4 | 0 | 0 | 0 | 112.4 | K659 | N574-K659 PolarHBondContact O-N 3.3Š|
| 575 | H | 92.5 | Very high | 89.5 | Confident | 75 Ų | 75 | 65.5 Ų | 65.5 | 35% | 0.347 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 121.2 | -179.8 | -172.4 | 63.8 | 0 | 0 | 0 | 109.8 | H573 Q577 K659 T661 | H573-H575 PolarHBondContact O-N 2.97Å; H575-Q577 WeakPolarHBondContact NE2-CG 3.22Å; H575-Q577 PolarHBondContact NE2-NE2 3.36Å; H575-K659 CarbonylContact C-O 3.53Å; H575-K659 WeakPolarHBondContact CA-O 3.33Å; H575-K659 WeakPolarHBondContact ND1-CB 3.29Å; H575-K659 WeakPolarHBondContact ND1-CG 3.34Å; H575-T661 PolarHBondContact CE1-OG1 2.88Å; H575-T661 VanDerWaalsContact CE1-OG1 3.28Å |
| 576 | F | 92.7 | Very high | 89.2 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 7% | 0.066 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.2 | 175 | -65.8 | -94 | 0 | 0 | 0 | 109.9 | F571 H573 F578 I593 A658 K659 V660 T661 | F571-F576 HydrophobicContact CB-CE2 4.29Å; F571-F576 AromaticContact CD1-CE2 3.81Å; F571-F576 HydrophobicContact CD1-CE2 3.81Å; F571-F576 HydrophobicContact CD1-CZ 4.3Å; F571-F576 HydrophobicContact CG-CE2 4.44Å; H573-F576 HydrophobicContact CB-CD1 4.33Å; H573-F576 HydrophobicContact CB-CD2 4.44Å; H573-F576 HydrophobicContact CB-CE1 4.04Å; H573-F576 HydrophobicContact CB-CE2 4.16Å; H573-F576 HydrophobicContact CB-CZ 3.95Å; H573-F576 AromaticContact ND1-CE1 3.77Å; H573-F576 WeakPolarHBondContact O-CE2 3.45Å; F576-F578 HydrophobicContact CB-CE2 3.9Å; F576-F578 HydrophobicContact CB-CZ 4.07Å; F576-F578 HydrophobicContact CD1-CZ 4.22Å; F576-F578 HydrophobicContact CG-CZ 4.48Å; F576-I593 HydrophobicContact CB-CG2 4.39Å; F576-I593 HydrophobicContact CD1-CG2 4Å; F576-I593 HydrophobicContact CD2-CG2 3.82Å; F576-I593 HydrophobicContact CE1-CB 4.42Å; F576-I593 HydrophobicContact CE1-CG2 4.18Å; F576-I593 HydrophobicContact CE2-CB 4.32Å; F576-I593 HydrophobicContact CE2-CG2 4.02Å; F576-I593 HydrophobicContact CG-CG2 3.81Å; F576-I593 HydrophobicContact CZ-CB 4.22Å; F576-I593 HydrophobicContact CZ-CG2 4.19Å; F576-A658 HydrophobicContact CD2-CB 4.41Å; F576-A658 HydrophobicContact CE2-CB 4.15Å; F576-K659 PolarHBondContact N-O 3.2Å; F576-V660 HydrophobicContact CB-CG2 4.37Å; F576-V660 WeakPolarHBondContact O-CA 3.39Å; F576-T661 PolarHBondContact O-N 3.13Å |
| 577 | Q | 92.3 | Very high | 89.1 | Confident | 116 Ų | 116 | 72.2 Ų | 72.2 | 54% | 0.542 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 124.1 | 173.9 | -71.1 | -177.7 | -28.7 | 0 | 0 | 109.8 | H575 F579 T661 | H575-Q577 WeakPolarHBondContact NE2-CG 3.22Å; H575-Q577 PolarHBondContact NE2-NE2 3.36Å; Q577-F579 HydrophobicContact CB-CE2 4.47Å; Q577-T661 WeakPolarHBondContact CA-O 3.12Å |
| 578 | F | 93.3 | Very high | 89 | Confident | 33 Ų | 33 | 71.5 Ų | 71.5 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 153.6 | 174.5 | -56.8 | -66.3 | 0 | 0 | 0 | 110.1 | F576 V590 I593 I626 V660 T661 I662 N663 | F576-F578 HydrophobicContact CB-CE2 3.9Å; F576-F578 HydrophobicContact CB-CZ 4.07Å; F576-F578 HydrophobicContact CD1-CZ 4.22Å; F576-F578 HydrophobicContact CG-CZ 4.48Å; F578-V590 HydrophobicContact CB-CG1 3.9Å; F578-V590 HydrophobicContact CD2-CG1 4.46Å; F578-V590 HydrophobicContact CG-CG1 4.35Å; F578-I593 HydrophobicContact CE2-CG2 4.22Å; F578-I593 HydrophobicContact CZ-CG2 4.22Å; F578-I626 HydrophobicContact CE2-CD1 4.06Å; F578-V660 HydrophobicContact CD2-CG1 3.77Å; F578-V660 HydrophobicContact CE2-CG1 3.79Å; F578-T661 PolarHBondContact N-O 2.74Å; F578-I662 HydrophobicContact CB-CG1 4.28Å; F578-I662 HydrophobicContact CD2-CG1 4.26Å; F578-N663 PolarHBondContact O-N 2.83Å |
| 579 | F | 90.9 | Very high | 88.9 | Confident | 132 Ų | 132 | 71.4 Ų | 71.4 | 58% | 0.579 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.5 | 178.7 | -64.3 | -93.1 | 0 | 0 | 0 | 108 | Q577 N663 I665 | Q577-F579 HydrophobicContact CB-CE2 4.47Å; F579-N663 WeakPolarHBondContact CA-O 3.25Å; F579-N663 HydrophobicContact CD1-CB 3.74Å; F579-N663 HydrophobicContact CE1-CB 3.85Å; F579-N663 VanDerWaalsContact CE1-ND2 3.29Å; F579-N663 WeakPolarHBondContact CE1-ND2 3.27Å; F579-N663 WeakPolarHBondContact CZ-ND2 3.13Å; F579-I665 HydrophobicContact CB-CG2 4.25Å; F579-I665 HydrophobicContact CD1-CG2 4.14Å |
| 580 | V | 91.5 | Very high | 88.8 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.4 | -175.7 | -69.8 | 0 | 0 | 0 | 0 | 109.6 | L584 V590 F632 I662 N663 V664 I665 | V580-L584 HydrophobicContact CB-CD2 4.23Å; V580-L584 HydrophobicContact CG1-CD2 4.24Å; V580-V590 HydrophobicContact CG1-CB 4.12Å; V580-V590 HydrophobicContact CG1-CG1 3.57Å; V580-V590 HydrophobicContact CG1-CG2 4.2Å; V580-F632 HydrophobicContact CB-CD2 4.13Å; V580-F632 HydrophobicContact CB-CE2 4.03Å; V580-F632 HydrophobicContact CG1-CE2 4.36Å; V580-F632 HydrophobicContact CG2-CD2 3.6Å; V580-F632 HydrophobicContact CG2-CE2 3.56Å; V580-F632 HydrophobicContact CG2-CG 4.22Å; V580-F632 HydrophobicContact CG2-CZ 4.14Å; V580-I662 HydrophobicContact CG1-CG2 4.41Å; V580-I662 HydrophobicContact CG2-CG2 3.58Å; V580-N663 PolarHBondContact N-O 2.79Å; V580-V664 HydrophobicContact CG2-CG2 4.37Å; V580-V664 CarbonylContact O-C 3.25Å; V580-V664 VanDerWaalsContact O-CA 3.31Å; V580-V664 WeakPolarHBondContact O-CA 3.18Å; V580-I665 PolarHBondContact O-N 2.68Å |
| 581 | S | 87 | Confident | 88.7 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 146.8 | 170.5 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | L584 | S581-L584 VanDerWaalsContact O-CB 3.22Å; S581-L584 WeakPolarHBondContact O-CB 3.23Å |
| 582 | E | 82 | Confident | 88.7 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.028 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 168.6 | 154.8 | 70.1 | -162.4 | 131.3 | 0 | 0 | 111.9 | L584 F632 R634 V664 I665 D666 V667 | E582-L584 PolarHBondContact O-N 3.05Å; E582-F632 HydrophobicContact CB-CB 4.48Å; E582-F632 WeakPolarHBondContact CB-O 3.39Å; E582-R634 HydrophobicContact CB-CB 4.38Å; E582-R634 WeakPolarHBondContact OE2-CB 3.38Å; E582-R634 PolarHBondContact OE2-N 3.26Å; E582-V664 HydrophobicContact CB-CG1 3.7Å; E582-I665 PolarHBondContact N-O 3.47Å; E582-I665 VanDerWaalsContact N-O 3.08Å; E582-D666 WeakPolarHBondContact OE1-CA 3.16Å; E582-V667 HydrophobicContact CG-CB 3.8Å; E582-V667 HydrophobicContact CG-CG2 3.98Å; E582-V667 PolarHBondContact OE1-N 3.44Å |
| 583 | N | 81.9 | Confident | 88.8 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 6.5 | -165.9 | -72.4 | -77.8 | 0 | 0 | 0 | 115 | P585 F632 D669 | N583-P585 WeakPolarHBondContact O-CD 3.36Å; N583-F632 PolarHBondContact N-O 2.91Å; N583-D669 PolarHBondContact ND2-OD2 2.67Å |
| 584 | L | 84.1 | Confident | 88.9 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 124.7 | 172.8 | -174.1 | 74.6 | 0 | 0 | 0 | 109.5 | V580 S581 E582 F632 | V580-L584 HydrophobicContact CB-CD2 4.23Å; V580-L584 HydrophobicContact CG1-CD2 4.24Å; S581-L584 VanDerWaalsContact O-CB 3.22Å; S581-L584 WeakPolarHBondContact O-CB 3.23Å; E582-L584 PolarHBondContact O-N 3.05Å; L584-F632 HydrophobicContact CB-CD2 4.12Å; L584-F632 HydrophobicContact CD2-CD2 4.28Å; L584-F632 HydrophobicContact CD2-CE2 4Å |
| 585 | P | 84.2 | Confident | 89.1 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 56% | 0.558 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 142.6 | -176.2 | -28.1 | 35.7 | 0 | 0 | 0 | 113.4 | N583 Y587 S588 S628 | N583-P585 WeakPolarHBondContact O-CD 3.36Å; P585-Y587 PolarHBondContact O-N 2.96Å; P585-S588 WeakPolarHBondContact O-CB 3.28Å; P585-S588 PolarHBondContact O-N 2.81Å; P585-S588 VanDerWaalsContact O-N 3.08Å; P585-S588 PolarHBondContact O-OG 2.83Å; P585-S628 PolarHBondContact O-OG 2.85Å |
| 586 | K | 85.8 | Confident | 89.1 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 140.1 | 171.1 | 177.9 | 171 | 171.1 | 136.7 | 0 | 110.9 | S588 N629 | K586-S588 VanDerWaalsContact C-N 3.31Å; K586-N629 VanDerWaalsContact CD-O 3.24Å; K586-N629 WeakPolarHBondContact CD-O 3.34Å; K586-N629 WeakPolarHBondContact CE-O 3.36Å; K586-N629 WeakPolarHBondContact CE-OD1 3.49Å; K586-N629 PolarHBondContact NZ-O 3.15Å; K586-N629 PolarHBondContact NZ-OD1 2.64Å |
| 587 | Y | 87.9 | Confident | 89.1 | Confident | 142 Ų | 142 | 58.9 Ų | 58.9 | 56% | 0.557 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 8.3 | -172.1 | -48.2 | -58.4 | 0 | 0 | 0 | 116.4 | P585 I618 S628 | P585-Y587 PolarHBondContact O-N 2.96Å; Y587-I618 HydrophobicContact CD1-CD1 4.02Å; Y587-I618 HydrophobicContact CE1-CD1 3.77Å; Y587-S628 WeakPolarHBondContact CA-O 3.39Å; Y587-S628 PolarHBondContact N-O 3.06Å; Y587-S628 PolarHBondContact N-OG 3.35Å |
| 588 | S | 88.6 | Confident | 89.1 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 22% | 0.217 | 31% | 0.311 | C | S | . | . | trans | -66.5 | 147.6 | 168.1 | -63.1 | 0 | 0 | 0 | 0 | 112 | P585 K586 K627 S628 | P585-S588 WeakPolarHBondContact O-CB 3.28Å; P585-S588 PolarHBondContact O-N 2.81Å; P585-S588 VanDerWaalsContact O-N 3.08Å; P585-S588 PolarHBondContact O-OG 2.83Å; K586-S588 VanDerWaalsContact C-N 3.31Å; S588-K627 CarbonylContact O-C 3.49Å; S588-K627 VanDerWaalsContact O-CA 3.22Å; S588-K627 WeakPolarHBondContact O-CA 3.47Å; S588-S628 PolarHBondContact O-N 2.84Å | ||
| 589 | T | 90.8 | Very high | 89.1 | Confident | 82 Ų | 82 | 55.4 Ų | 55.4 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127.2 | 172.1 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | V625 | T589-V625 HydrophobicContact CG2-CG1 3.72Å |
| 590 | V | 91.1 | Very high | 89 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -40.2 | 174.6 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | F578 V580 F617 I626 F632 I662 | F578-V590 HydrophobicContact CB-CG1 3.9Å; F578-V590 HydrophobicContact CD2-CG1 4.46Å; F578-V590 HydrophobicContact CG-CG1 4.35Å; V580-V590 HydrophobicContact CG1-CB 4.12Å; V580-V590 HydrophobicContact CG1-CG1 3.57Å; V580-V590 HydrophobicContact CG1-CG2 4.2Å; V590-F617 HydrophobicContact CG2-CE1 4.37Å; V590-I626 HydrophobicContact CB-CG2 4.19Å; V590-I626 PolarHBondContact N-O 3.29Å; V590-F632 HydrophobicContact CG2-CE2 4.19Å; V590-F632 HydrophobicContact CG2-CZ 4.04Å; V590-I662 HydrophobicContact CG1-CB 4.43Å; V590-I662 HydrophobicContact CG1-CD1 3.65Å; V590-I662 HydrophobicContact CG1-CG1 3.75Å; V590-I662 HydrophobicContact CG1-CG2 3.8Å |
| 591 | G | 89 | Confident | 88.9 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | 179.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I626 | G591-I626 PolarHBondContact O-N 2.99Å |
| 592 | V | 91.9 | Very high | 89 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125.7 | 175.8 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | G624 V625 | V592-G624 WeakPolarHBondContact CA-O 3.36Å; V592-V625 HydrophobicContact CG2-CG2 4.11Å |
| 593 | I | 92.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | trans | -95.4 | 142.5 | 170.7 | 53.3 | 172.3 | 0 | 0 | 0 | 109.4 | F571 F576 F578 L608 L619 G624 I626 V644 V660 | F571-I593 HydrophobicContact CE1-CD1 4.3Å; F576-I593 HydrophobicContact CB-CG2 4.39Å; F576-I593 HydrophobicContact CD1-CG2 4Å; F576-I593 HydrophobicContact CD2-CG2 3.82Å; F576-I593 HydrophobicContact CE1-CB 4.42Å; F576-I593 HydrophobicContact CE1-CG2 4.18Å; F576-I593 HydrophobicContact CE2-CB 4.32Å; F576-I593 HydrophobicContact CE2-CG2 4.02Å; F576-I593 HydrophobicContact CG-CG2 3.81Å; F576-I593 HydrophobicContact CZ-CB 4.22Å; F576-I593 HydrophobicContact CZ-CG2 4.19Å; F578-I593 HydrophobicContact CE2-CG2 4.22Å; F578-I593 HydrophobicContact CZ-CG2 4.22Å; I593-L608 HydrophobicContact CD1-CD1 4.37Å; I593-L608 HydrophobicContact CG1-CD1 4.37Å; I593-L619 HydrophobicContact CD1-CD1 3.81Å; I593-L619 HydrophobicContact CD1-CD2 3.91Å; I593-L619 HydrophobicContact CG1-CD1 4.06Å; I593-G624 VanDerWaalsContact CG1-O 3.31Å; I593-G624 WeakPolarHBondContact CG1-O 3Å; I593-G624 PolarHBondContact N-O 3.45Å; I593-I626 HydrophobicContact CD1-CD1 4.49Å; I593-I626 HydrophobicContact CG1-CD1 4.46Å; I593-I626 HydrophobicContact CG2-CD1 3.89Å; I593-V644 HydrophobicContact CD1-CB 3.99Å; I593-V644 HydrophobicContact CD1-CG1 4.01Å; I593-V644 HydrophobicContact CD1-CG2 3.81Å; I593-V660 HydrophobicContact CG2-CG2 4.18Å | ||
| 594 | T | 90.3 | Very high | 89.8 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | trans | -125 | 134.1 | -177.1 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | T572 | T572-T594 WeakPolarHBondContact CG2-OG1 3.38Å; T572-T594 PolarHBondContact N-O 2.83Å; T572-T594 PolarHBondContact OG1-O 2.97Å; T572-T594 PolarHBondContact OG1-OG1 2.87Å | ||
| 595 | V | 92.1 | Very high | 90.1 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 142.9 | 179.8 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | P569 K570 F571 V606 L608 A646 | P569-V595 HydrophobicContact CB-CG1 3.83Å; K570-V595 WeakPolarHBondContact O-CA 3.2Å; F571-V595 HydrophobicContact CD1-CG2 3.34Å; F571-V595 HydrophobicContact CD2-CG2 4.33Å; F571-V595 HydrophobicContact CE1-CG2 3.41Å; F571-V595 VanDerWaalsContact CE1-CG2 3.41Å; F571-V595 HydrophobicContact CE2-CG2 4.39Å; F571-V595 HydrophobicContact CG-CG2 3.83Å; F571-V595 HydrophobicContact CZ-CG2 3.96Å; V595-V606 HydrophobicContact CB-CG1 4.39Å; V595-V606 HydrophobicContact CG1-CG1 3.99Å; V595-V606 HydrophobicContact CG1-CG2 4.36Å; V595-L608 HydrophobicContact CB-CD2 4.22Å; V595-L608 HydrophobicContact CG2-CD2 3.59Å; V595-A646 HydrophobicContact CG1-CB 3.96Å; V595-A646 HydrophobicContact CG2-CB 4.17Å |
| 596 | T | 90.9 | Very high | 90.5 | Very high | 84 Ų | 84 | 52 Ų | 52 | 52% | 0.515 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136.9 | 174.3 | 51.7 | 0 | 0 | 0 | 0 | 108.3 | K570 | K570-T596 WeakPolarHBondContact CA-O 3.5Å; K570-T596 WeakPolarHBondContact CB-O 3.48Å; K570-T596 PolarHBondContact N-O 2.88Å; K570-T596 PolarHBondContact O-N 2.83Å; K570-T596 PolarHBondContact O-OG1 3.17Å |
| 597 | D | 93.4 | Very high | 90.8 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 16% | 0.16 | 31% | 0.309 | C | S | . | . | trans | -101.4 | 166.3 | 162.1 | -130.9 | -50.2 | 0 | 0 | 0 | 111.3 | P569 A604 V606 | P569-D597 WeakPolarHBondContact CA-OD2 3.45Å; P569-D597 WeakPolarHBondContact CD-OD2 3.39Å; P569-D597 WeakPolarHBondContact CG-OD2 3.05Å; D597-A604 HydrophobicContact CB-CB 3.85Å; D597-V606 HydrophobicContact CB-CG2 4.19Å | ||
| 598 | S | 91.7 | Very high | 91.1 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -91 | -34.8 | 176.1 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | R531 N567 | R531-S598 PolarHBondContact NH2-O 2.95Å; N567-S598 PolarHBondContact OD1-OG 3.5Å |
| 599 | D | 93.8 | Very high | 91.3 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 6% | 0.059 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -64.7 | -170.8 | -171.2 | -59.3 | -0.6 | 0 | 0 | 0 | 113.2 | R531 N565 N567 N603 A604 | R531-D599 VanDerWaalsContact NH2-C 3.28Å; R531-D599 VanDerWaalsContact NH2-CA 3.34Å; N565-D599 WeakPolarHBondContact CA-OD2 3.28Å; N567-D599 WeakPolarHBondContact CB-OD1 3.12Å; N567-D599 PolarHBondContact ND2-OD1 3.33Å; D599-N603 HydrophobicContact CB-CB 3.65Å; D599-A604 HydrophobicContact CB-CB 4.4Å; D599-A604 WeakPolarHBondContact O-CB 3.44Å |
| 600 | A | 89.6 | Confident | 91.4 | Very high | 37 Ų | 37 | 41 Ų | 41 | 31% | 0.306 | 27% | 0.271 | S | S | . | . | trans | -124.3 | 161.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | D563 E602 N603 A604 | D563-A600 HydrophobicContact CB-CB 4.22Å; D563-A600 VanDerWaalsContact CG-N 3.31Å; D563-A600 WeakPolarHBondContact OD1-CB 3.13Å; D563-A600 PolarHBondContact OD1-N 3.03Å; D563-A600 PolarHBondContact OD2-N 3.42Å; A600-E602 PolarHBondContact O-N 2.73Å; A600-N603 WeakPolarHBondContact O-CB 3.21Å; A600-N603 PolarHBondContact O-N 2.64Å; A600-A604 PolarHBondContact O-N 2.86Å | ||
| 601 | G | 88.9 | Confident | 91.2 | Very high | 69 Ų | 69 | 44.1 Ų | 44.1 | 71% | 0.711 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -119.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 602 | E | 88.8 | Confident | 90.8 | Very high | 125 Ų | 125 | 49 Ų | 49 | 58% | 0.584 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -26.1 | 178 | -63.4 | -168.7 | 166.5 | 0 | 0 | 112.5 | A600 A605 S649 | A600-E602 PolarHBondContact O-N 2.73Å; E602-A605 VanDerWaalsContact O-CB 3.31Å; E602-A605 WeakPolarHBondContact O-CB 3.12Å; E602-A605 PolarHBondContact O-N 3.3Å; E602-A605 VanDerWaalsContact O-N 3.09Å; E602-S649 CarbonylContact O-C 3.4Å; E602-S649 WeakPolarHBondContact O-CA 3.27Å; E602-S649 VanDerWaalsContact O-CB 3.28Å; E602-S649 WeakPolarHBondContact O-CB 3.44Å; E602-S649 PolarHBondContact O-N 3.33Å |
| 603 | N | 90.1 | Very high | 90.1 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -41.3 | -179.9 | -65.9 | -13.4 | 0 | 0 | 0 | 110.5 | D563 N565 D599 A600 A605 D648 G650 | D563-N603 VanDerWaalsContact OD2-CB 3.29Å; D563-N603 WeakPolarHBondContact OD2-CB 3.05Å; D563-N603 PolarHBondContact OD2-ND2 2.97Å; N565-N603 HydrophobicContact CB-CB 4.11Å; N565-N603 PolarHBondContact N-ND2 3.32Å; N565-N603 WeakPolarHBondContact OD1-CA 3.32Å; N565-N603 WeakPolarHBondContact OD1-CB 3.48Å; N565-N603 VanDerWaalsContact OD1-CG 3.28Å; N565-N603 PolarHBondContact OD1-OD1 2.87Å; D599-N603 HydrophobicContact CB-CB 3.65Å; A600-N603 WeakPolarHBondContact O-CB 3.21Å; A600-N603 PolarHBondContact O-N 2.64Å; N603-A605 VanDerWaalsContact C-N 3.28Å; N603-A605 PolarHBondContact O-N 2.89Å; N603-D648 WeakPolarHBondContact O-CB 3.25Å; N603-G650 VanDerWaalsContact OD1-CA 3.25Å; N603-G650 WeakPolarHBondContact OD1-CA 3.48Å |
| 604 | A | 90.6 | Very high | 89.2 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 28% | 0.281 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 4.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | D597 D599 A600 V606 | D597-A604 HydrophobicContact CB-CB 3.85Å; D599-A604 HydrophobicContact CB-CB 4.4Å; D599-A604 WeakPolarHBondContact O-CB 3.44Å; A600-A604 PolarHBondContact O-N 2.86Å; A604-V606 VanDerWaalsContact C-N 3.33Å; A604-V606 PolarHBondContact O-N 2.95Å |
| 605 | A | 90.8 | Very high | 88.7 | Confident | 39 Ų | 39 | 56 Ų | 56 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | trans | -83 | 75.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E602 N603 S649 | E602-A605 VanDerWaalsContact O-CB 3.31Å; E602-A605 WeakPolarHBondContact O-CB 3.12Å; E602-A605 PolarHBondContact O-N 3.3Å; E602-A605 VanDerWaalsContact O-N 3.09Å; N603-A605 VanDerWaalsContact C-N 3.28Å; N603-A605 PolarHBondContact O-N 2.89Å; A605-S649 PolarHBondContact O-N 2.95Å; A605-S649 PolarHBondContact O-OG 3.34Å | ||
| 606 | V | 92.3 | Very high | 88.4 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 17% | 0.17 | 34% | 0.339 | C | S | . | . | trans | -69.2 | 134.1 | -178.2 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | P569 V595 D597 A604 L608 A646 | P569-V606 HydrophobicContact CB-CG1 4.13Å; P569-V606 HydrophobicContact CB-CG2 3.91Å; P569-V606 HydrophobicContact CG-CG2 4.08Å; V595-V606 HydrophobicContact CB-CG1 4.39Å; V595-V606 HydrophobicContact CG1-CG1 3.99Å; V595-V606 HydrophobicContact CG1-CG2 4.36Å; D597-V606 HydrophobicContact CB-CG2 4.19Å; A604-V606 VanDerWaalsContact C-N 3.33Å; A604-V606 PolarHBondContact O-N 2.95Å; V606-L608 HydrophobicContact CG1-CD2 3.83Å; V606-A646 HydrophobicContact CG1-CB 3.82Å | ||
| 607 | S | 92.9 | Very high | 88.4 | Confident | 40 Ų | 40 | 52.5 Ų | 52.5 | 28% | 0.28 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 144.4 | 166.5 | 67.4 | 0 | 0 | 0 | 0 | 111 | A646 V647 | S607-A646 WeakPolarHBondContact O-CA 3.37Å; S607-V647 PolarHBondContact N-O 2.9Å; S607-V647 PolarHBondContact O-N 2.73Å; S607-V647 PolarHBondContact OG-O 2.75Å |
| 608 | L | 93.2 | Very high | 88.3 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 142.1 | -174.7 | -53.5 | 175.4 | 0 | 0 | 0 | 111.8 | I593 V595 V606 L619 P621 A646 | I593-L608 HydrophobicContact CD1-CD1 4.37Å; I593-L608 HydrophobicContact CG1-CD1 4.37Å; V595-L608 HydrophobicContact CB-CD2 4.22Å; V595-L608 HydrophobicContact CG2-CD2 3.59Å; V606-L608 HydrophobicContact CG1-CD2 3.83Å; L608-L619 HydrophobicContact CB-CD2 3.92Å; L608-L619 HydrophobicContact CB-CG 4.38Å; L608-P621 PolarHBondContact N-O 2.85Å; L608-P621 WeakPolarHBondContact O-CA 3.27Å; L608-P621 WeakPolarHBondContact O-CB 2.94Å; L608-A646 HydrophobicContact CD2-CB 3.75Å |
| 609 | S | 92.4 | Very high | 88.4 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 33% | 0.329 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 149.8 | 179.4 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | V644 K645 | S609-V644 CarbonylContact O-C 3.55Å; S609-V644 VanDerWaalsContact O-CA 3.31Å; S609-V644 WeakPolarHBondContact O-CA 3.25Å; S609-K645 PolarHBondContact N-O 3.06Å; S609-K645 PolarHBondContact O-N 3.17Å; S609-K645 PolarHBondContact OG-O 2.89Å |
| 610 | I | 92.7 | Very high | 88.2 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 139.6 | 166.8 | -62 | 162.3 | 0 | 0 | 0 | 107.7 | N614 F617 L619 F642 V644 | I610-N614 WeakPolarHBondContact CB-OD1 3.25Å; I610-N614 WeakPolarHBondContact CG2-OD1 3.39Å; I610-N614 PolarHBondContact O-ND2 2.8Å; I610-N614 PolarHBondContact O-OD1 3.17Å; I610-N614 VanDerWaalsContact O-OD1 3.04Å; I610-F617 HydrophobicContact CD1-CB 3.84Å; I610-L619 HydrophobicContact CD1-CB 3.65Å; I610-L619 HydrophobicContact CG1-CB 3.74Å; I610-L619 HydrophobicContact CG1-CD2 3.94Å; I610-F642 HydrophobicContact CD1-CE2 4.12Å; I610-F642 HydrophobicContact CD1-CZ 4.42Å; I610-F642 HydrophobicContact CG1-CD2 4.2Å; I610-F642 HydrophobicContact CG1-CE2 3.95Å; I610-F642 HydrophobicContact CG2-CB 4.32Å; I610-F642 HydrophobicContact CG2-CD2 3.75Å; I610-F642 HydrophobicContact CG2-CE2 4.32Å; I610-F642 HydrophobicContact CG2-CG 4.14Å; I610-V644 HydrophobicContact CG1-CG1 3.98Å |
| 611 | L | 87.4 | Confident | 88.3 | Confident | 81 Ų | 81 | 55.3 Ų | 55.3 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -92.6 | -42.3 | 178.8 | -65.4 | 178 | 0 | 0 | 0 | 113 | D643 K645 V657 | L611-D643 HydrophobicContact CD1-CB 4.39Å; L611-D643 PolarHBondContact N-O 2.74Å; L611-K645 HydrophobicContact CD1-CB 4.1Å; L611-K645 HydrophobicContact CD2-CB 3.85Å; L611-K645 HydrophobicContact CD2-CD 4.28Å; L611-K645 HydrophobicContact CG-CB 3.94Å; L611-V657 HydrophobicContact CD1-CG1 4.25Å; L611-V657 HydrophobicContact CD1-CG2 4.18Å |
| 612 | N | 81.4 | Confident | 88.3 | Confident | 112 Ų | 112 | 61.2 Ų | 61.2 | 60% | 0.599 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -121.4 | -4.8 | -157.2 | -67.3 | -27.5 | 0 | 0 | 0 | 115.2 | D643 | N612-D643 PolarHBondContact ND2-OD2 2.85Š|
| 613 | D | 76.6 | Confident | 88.3 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | trans | -151.9 | 64.8 | -179 | -168.2 | -1.2 | 0 | 0 | 0 | 112.5 | E615 N616 F617 F642 | D613-E615 VanDerWaalsContact C-N 3.25Å; D613-E615 PolarHBondContact O-N 2.91Å; D613-N616 WeakPolarHBondContact OD1-CB 3.23Å; D613-N616 PolarHBondContact OD1-N 3.5Å; D613-N616 PolarHBondContact OD1-ND2 2.92Å; D613-N616 PolarHBondContact OD2-ND2 2.85Å; D613-F617 WeakPolarHBondContact OD2-CD2 3.37Å; D613-F617 WeakPolarHBondContact OD2-CE2 3.2Å; D613-F642 HydrophobicContact CB-CB 3.63Å; D613-F642 HydrophobicContact CB-CD1 3.92Å; D613-F642 HydrophobicContact CB-CG 4.01Å | ||
| 614 | N | 73.3 | Confident | 88.3 | Confident | 106 Ų | 106 | 57 Ų | 57 | 57% | 0.567 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -1.4 | -179.6 | -63 | 5.1 | 0 | 0 | 0 | 112.9 | I610 | I610-N614 WeakPolarHBondContact CB-OD1 3.25Å; I610-N614 WeakPolarHBondContact CG2-OD1 3.39Å; I610-N614 PolarHBondContact O-ND2 2.8Å; I610-N614 PolarHBondContact O-OD1 3.17Å; I610-N614 VanDerWaalsContact O-OD1 3.04Å |
| 615 | E | 80.6 | Confident | 88.4 | Confident | 159 Ų | 159 | 56.7 Ų | 56.7 | 74% | 0.743 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -43 | -178.9 | -62.5 | -169.8 | 173.8 | 0 | 0 | 111.1 | D613 N629 | D613-E615 VanDerWaalsContact C-N 3.25Å; D613-E615 PolarHBondContact O-N 2.91Å; E615-N629 WeakPolarHBondContact O-CB 3.45Å; E615-N629 PolarHBondContact O-ND2 3.2Å |
| 616 | N | 85.9 | Confident | 88.5 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 21% | 0.214 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -21.4 | -178.7 | -59.8 | -68.3 | 0 | 0 | 0 | 113.6 | D613 N629 V630 Y640 | D613-N616 WeakPolarHBondContact OD1-CB 3.23Å; D613-N616 PolarHBondContact OD1-N 3.5Å; D613-N616 PolarHBondContact OD1-ND2 2.92Å; D613-N616 PolarHBondContact OD2-ND2 2.85Å; N616-N629 WeakPolarHBondContact O-CA 3.17Å; N616-N629 WeakPolarHBondContact O-CB 3.35Å; N616-N629 PolarHBondContact O-N 3.06Å; N616-V630 HydrophobicContact CB-CG1 4.44Å; N616-V630 HydrophobicContact CB-CG2 4.27Å; N616-V630 WeakPolarHBondContact OD1-CG1 3.48Å; N616-Y640 HydrophobicContact CB-CD1 4.22Å; N616-Y640 HydrophobicContact CB-CE1 4.1Å |
| 617 | F | 91.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 57 Ų | 57 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.5 | -173.4 | -59.6 | -82.1 | 0 | 0 | 0 | 113.7 | V590 I610 D613 I626 K627 F632 Y640 F642 I662 | V590-F617 HydrophobicContact CG2-CE1 4.37Å; I610-F617 HydrophobicContact CD1-CB 3.84Å; D613-F617 WeakPolarHBondContact OD2-CD2 3.37Å; D613-F617 WeakPolarHBondContact OD2-CE2 3.2Å; F617-I626 HydrophobicContact CB-CG2 4.42Å; F617-I626 HydrophobicContact CD1-CG2 4.07Å; F617-K627 WeakPolarHBondContact CA-O 3.32Å; F617-F632 AromaticContact CE1-CE1 3.87Å; F617-F632 HydrophobicContact CE1-CE1 3.87Å; F617-F632 AromaticContact CE1-CZ 3.75Å; F617-F632 HydrophobicContact CE1-CZ 3.75Å; F617-F632 AromaticContact CZ-CE1 3.91Å; F617-F632 HydrophobicContact CZ-CE1 3.91Å; F617-F632 HydrophobicContact CZ-CZ 4.26Å; F617-Y640 AromaticContact CE2-CD1 3.59Å; F617-Y640 HydrophobicContact CE2-CD1 3.59Å; F617-Y640 HydrophobicContact CE2-CE1 4.43Å; F617-Y640 AromaticContact CE2-CG 3.68Å; F617-Y640 HydrophobicContact CE2-CG 3.68Å; F617-Y640 AromaticContact CZ-CD1 3.88Å; F617-Y640 HydrophobicContact CZ-CD1 3.88Å; F617-Y640 HydrophobicContact CZ-CD2 4.05Å; F617-Y640 AromaticContact CZ-CG 3.59Å; F617-Y640 HydrophobicContact CZ-CG 3.59Å; F617-F642 HydrophobicContact CB-CE1 4.17Å; F617-F642 HydrophobicContact CB-CZ 4.25Å; F617-F642 HydrophobicContact CD1-CE1 4.16Å; F617-F642 AromaticContact CD2-CD1 3.76Å; F617-F642 HydrophobicContact CD2-CD1 3.76Å; F617-F642 AromaticContact CD2-CE1 3.29Å; F617-F642 HydrophobicContact CD2-CE1 3.29Å; F617-F642 HydrophobicContact CD2-CZ 4.18Å; F617-F642 HydrophobicContact CE1-CE1 4.45Å; F617-F642 HydrophobicContact CE2-CD1 4.05Å; F617-F642 AromaticContact CE2-CE1 3.67Å; F617-F642 HydrophobicContact CE2-CE1 3.67Å; F617-F642 HydrophobicContact CG-CD1 4.43Å; F617-F642 AromaticContact CG-CE1 3.58Å; F617-F642 HydrophobicContact CG-CE1 3.58Å; F617-F642 HydrophobicContact CG-CZ 4.05Å; F617-F642 HydrophobicContact CZ-CE1 4.24Å; F617-I662 HydrophobicContact CD1-CD1 3.71Å; F617-I662 HydrophobicContact CE1-CD1 3.25Å; F617-I662 HydrophobicContact CE2-CD1 4.34Å; F617-I662 HydrophobicContact CG-CD1 4.42Å; F617-I662 HydrophobicContact CZ-CD1 3.62Å |
| 618 | I | 90.8 | Very high | 88.4 | Confident | 72 Ų | 72 | 55.1 Ų | 55.1 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 115.3 | 173.6 | -65.1 | 160.3 | 0 | 0 | 0 | 107.6 | Y587 K627 N629 | Y587-I618 HydrophobicContact CD1-CD1 4.02Å; Y587-I618 HydrophobicContact CE1-CD1 3.77Å; I618-K627 PolarHBondContact N-O 3.13Å; I618-K627 PolarHBondContact O-N 3.43Å; I618-N629 HydrophobicContact CD1-CB 4.01Å; I618-N629 HydrophobicContact CG1-CB 4.18Å |
| 619 | L | 92.6 | Very high | 88.2 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127.8 | 171 | 172.4 | 59.7 | 0 | 0 | 0 | 109.5 | I593 L608 I610 I626 V644 | I593-L619 HydrophobicContact CD1-CD1 3.81Å; I593-L619 HydrophobicContact CD1-CD2 3.91Å; I593-L619 HydrophobicContact CG1-CD1 4.06Å; L608-L619 HydrophobicContact CB-CD2 3.92Å; L608-L619 HydrophobicContact CB-CG 4.38Å; I610-L619 HydrophobicContact CD1-CB 3.65Å; I610-L619 HydrophobicContact CG1-CB 3.74Å; I610-L619 HydrophobicContact CG1-CD2 3.94Å; L619-I626 HydrophobicContact CD1-CG1 3.87Å; L619-V644 HydrophobicContact CD2-CG1 4.12Å |
| 620 | D | 91 | Very high | 87.9 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | trans | -74.7 | 120.8 | 168 | -174.8 | -78.5 | 0 | 0 | 0 | 109.8 | Y622 S623 G624 V625 | D620-Y622 PolarHBondContact O-N 2.87Å; D620-Y622 VanDerWaalsContact O-N 3.17Å; D620-Y622 PolarHBondContact OD1-N 3.44Å; D620-S623 VanDerWaalsContact CB-OG 3.32Å; D620-S623 WeakPolarHBondContact CB-OG 3.37Å; D620-S623 WeakPolarHBondContact OD1-CB 3.24Å; D620-S623 PolarHBondContact OD1-N 2.96Å; D620-S623 PolarHBondContact OD1-OG 2.98Å; D620-G624 PolarHBondContact O-N 3.25Å; D620-G624 VanDerWaalsContact O-N 3.16Å; D620-V625 HydrophobicContact CB-CB 4.31Å; D620-V625 PolarHBondContact N-O 2.78Å | ||
| 621 | P | 90.5 | Very high | 87.6 | Confident | 50 Ų | 50 | 59 Ų | 59 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.6 | -165.3 | 28.3 | -36.1 | 0 | 0 | 0 | 114.7 | L608 | L608-P621 PolarHBondContact N-O 2.85Å; L608-P621 WeakPolarHBondContact O-CA 3.27Å; L608-P621 WeakPolarHBondContact O-CB 2.94Å |
| 622 | Y | 89.4 | Confident | 87.6 | Confident | 193 Ų | 193 | 55.3 Ų | 55.3 | 76% | 0.757 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | -33.9 | -177.3 | -58.6 | -66.5 | 0 | 0 | 0 | 113.2 | D620 | D620-Y622 PolarHBondContact O-N 2.87Å; D620-Y622 VanDerWaalsContact O-N 3.17Å; D620-Y622 PolarHBondContact OD1-N 3.44Å |
| 623 | S | 89.4 | Confident | 87.9 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 43% | 0.427 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -8.4 | 178.9 | 64.3 | 0 | 0 | 0 | 0 | 114.1 | D620 V625 | D620-S623 VanDerWaalsContact CB-OG 3.32Å; D620-S623 WeakPolarHBondContact CB-OG 3.37Å; D620-S623 WeakPolarHBondContact OD1-CB 3.24Å; D620-S623 PolarHBondContact OD1-N 2.96Å; D620-S623 PolarHBondContact OD1-OG 2.98Å; S623-V625 PolarHBondContact O-N 2.83Å; S623-V625 WeakPolarHBondContact OG-CG2 3.16Å |
| 624 | G | 90 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | 69.4 | 9.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V592 I593 D620 I626 | V592-G624 WeakPolarHBondContact CA-O 3.36Å; I593-G624 VanDerWaalsContact CG1-O 3.31Å; I593-G624 WeakPolarHBondContact CG1-O 3Å; I593-G624 PolarHBondContact N-O 3.45Å; D620-G624 PolarHBondContact O-N 3.25Å; D620-G624 VanDerWaalsContact O-N 3.16Å; G624-I626 PolarHBondContact O-N 3.1Å | ||
| 625 | V | 92.9 | Very high | 89 | Confident | 28 Ų | 28 | 52.8 Ų | 52.8 | 17% | 0.17 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 119.6 | -177.9 | -178 | 0 | 0 | 0 | 0 | 109.9 | T589 V592 D620 S623 K627 | T589-V625 HydrophobicContact CG2-CG1 3.72Å; V592-V625 HydrophobicContact CG2-CG2 4.11Å; D620-V625 HydrophobicContact CB-CB 4.31Å; D620-V625 PolarHBondContact N-O 2.78Å; S623-V625 PolarHBondContact O-N 2.83Å; S623-V625 WeakPolarHBondContact OG-CG2 3.16Å; V625-K627 HydrophobicContact CG1-CG 4.18Å |
| 626 | I | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128.1 | 173 | -60.6 | 172.2 | 0 | 0 | 0 | 108.7 | F578 V590 G591 I593 F617 L619 G624 F642 V660 I662 | F578-I626 HydrophobicContact CE2-CD1 4.06Å; V590-I626 HydrophobicContact CB-CG2 4.19Å; V590-I626 PolarHBondContact N-O 3.29Å; G591-I626 PolarHBondContact O-N 2.99Å; I593-I626 HydrophobicContact CD1-CD1 4.49Å; I593-I626 HydrophobicContact CG1-CD1 4.46Å; I593-I626 HydrophobicContact CG2-CD1 3.89Å; F617-I626 HydrophobicContact CB-CG2 4.42Å; F617-I626 HydrophobicContact CD1-CG2 4.07Å; L619-I626 HydrophobicContact CD1-CG1 3.87Å; G624-I626 PolarHBondContact O-N 3.1Å; I626-F642 HydrophobicContact CD1-CE2 4.41Å; I626-F642 HydrophobicContact CD1-CZ 4.27Å; I626-F642 HydrophobicContact CG2-CZ 4.3Å; I626-V660 HydrophobicContact CD1-CG1 4.08Å; I626-V660 HydrophobicContact CD1-CG2 4.24Å; I626-I662 HydrophobicContact CG2-CD1 4.38Å |
| 627 | K | 91.6 | Very high | 89.4 | Confident | 73 Ų | 73 | 54.4 Ų | 54.4 | 32% | 0.317 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.7 | 176.4 | -63.6 | 172 | -174.5 | 162.5 | 0 | 111 | S588 F617 I618 V625 | S588-K627 CarbonylContact O-C 3.49Å; S588-K627 VanDerWaalsContact O-CA 3.22Å; S588-K627 WeakPolarHBondContact O-CA 3.47Å; F617-K627 WeakPolarHBondContact CA-O 3.32Å; I618-K627 PolarHBondContact N-O 3.13Å; I618-K627 PolarHBondContact O-N 3.43Å; V625-K627 HydrophobicContact CG1-CG 4.18Å |
| 628 | S | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 137.2 | 173.2 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | P585 Y587 S588 V630 | P585-S628 PolarHBondContact O-OG 2.85Å; Y587-S628 WeakPolarHBondContact CA-O 3.39Å; Y587-S628 PolarHBondContact N-O 3.06Å; Y587-S628 PolarHBondContact N-OG 3.35Å; S588-S628 PolarHBondContact O-N 2.84Å; S628-V630 VanDerWaalsContact CB-O 3.29Å; S628-V630 WeakPolarHBondContact CB-O 3.22Å; S628-V630 PolarHBondContact OG-O 2.9Å |
| 629 | N | 88.9 | Confident | 89.1 | Confident | 41 Ų | 41 | 56.3 Ų | 56.3 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -102.9 | -4.1 | 163.4 | -169.5 | 36.3 | 0 | 0 | 0 | 111.6 | K586 E615 N616 I618 | K586-N629 VanDerWaalsContact CD-O 3.24Å; K586-N629 WeakPolarHBondContact CD-O 3.34Å; K586-N629 WeakPolarHBondContact CE-O 3.36Å; K586-N629 WeakPolarHBondContact CE-OD1 3.49Å; K586-N629 PolarHBondContact NZ-O 3.15Å; K586-N629 PolarHBondContact NZ-OD1 2.64Å; E615-N629 WeakPolarHBondContact O-CB 3.45Å; E615-N629 PolarHBondContact O-ND2 3.2Å; N616-N629 WeakPolarHBondContact O-CA 3.17Å; N616-N629 WeakPolarHBondContact O-CB 3.35Å; N616-N629 PolarHBondContact O-N 3.06Å; I618-N629 HydrophobicContact CD1-CB 4.01Å; I618-N629 HydrophobicContact CG1-CB 4.18Å |
| 630 | V | 86.3 | Confident | 89 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -113.3 | 161.2 | 169.7 | -67.7 | 0 | 0 | 0 | 0 | 110.7 | N616 S628 F632 | N616-V630 HydrophobicContact CB-CG1 4.44Å; N616-V630 HydrophobicContact CB-CG2 4.27Å; N616-V630 WeakPolarHBondContact OD1-CG1 3.48Å; S628-V630 VanDerWaalsContact CB-O 3.29Å; S628-V630 WeakPolarHBondContact CB-O 3.22Å; S628-V630 PolarHBondContact OG-O 2.9Å; V630-F632 HydrophobicContact CG2-CD1 4.07Å; V630-F632 HydrophobicContact CG2-CE1 3.86Å |
| 631 | S | 85.9 | Confident | 89 | Confident | 82 Ų | 82 | 56.6 Ų | 56.6 | 57% | 0.573 | 30% | 0.3 | S | S | * | . | trans | -78.5 | 138.7 | 152.3 | 44.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 632 | F | 87.8 | Confident | 89.1 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | trans | -83.1 | 135 | 174 | -57 | -59.8 | 0 | 0 | 0 | 110.3 | V580 E582 N583 L584 V590 F617 V630 Y640 V664 | V580-F632 HydrophobicContact CB-CD2 4.13Å; V580-F632 HydrophobicContact CB-CE2 4.03Å; V580-F632 HydrophobicContact CG1-CE2 4.36Å; V580-F632 HydrophobicContact CG2-CD2 3.6Å; V580-F632 HydrophobicContact CG2-CE2 3.56Å; V580-F632 HydrophobicContact CG2-CG 4.22Å; V580-F632 HydrophobicContact CG2-CZ 4.14Å; E582-F632 HydrophobicContact CB-CB 4.48Å; E582-F632 WeakPolarHBondContact CB-O 3.39Å; N583-F632 PolarHBondContact N-O 2.91Å; L584-F632 HydrophobicContact CB-CD2 4.12Å; L584-F632 HydrophobicContact CD2-CD2 4.28Å; L584-F632 HydrophobicContact CD2-CE2 4Å; V590-F632 HydrophobicContact CG2-CE2 4.19Å; V590-F632 HydrophobicContact CG2-CZ 4.04Å; F617-F632 AromaticContact CE1-CE1 3.87Å; F617-F632 HydrophobicContact CE1-CE1 3.87Å; F617-F632 AromaticContact CE1-CZ 3.75Å; F617-F632 HydrophobicContact CE1-CZ 3.75Å; F617-F632 AromaticContact CZ-CE1 3.91Å; F617-F632 HydrophobicContact CZ-CE1 3.91Å; F617-F632 HydrophobicContact CZ-CZ 4.26Å; V630-F632 HydrophobicContact CG2-CD1 4.07Å; V630-F632 HydrophobicContact CG2-CE1 3.86Å; F632-Y640 HydrophobicContact CD1-CD2 4.42Å; F632-Y640 AromaticContact CD1-CE2 3.78Å; F632-Y640 HydrophobicContact CD1-CE2 3.78Å; F632-Y640 HydrophobicContact CE1-CD2 4.31Å; F632-Y640 HydrophobicContact CE1-CE2 4.03Å; F632-V664 HydrophobicContact CB-CG1 3.84Å; F632-V664 HydrophobicContact CB-CG2 4.04Å; F632-V664 HydrophobicContact CD1-CG2 4.08Å; F632-V664 HydrophobicContact CG-CG2 4.12Å | ||
| 633 | D | 86.6 | Confident | 89.2 | Confident | 70 Ų | 70 | 46.9 Ų | 46.9 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | trans | -135.3 | 115.3 | 176 | 166.6 | -30.8 | 0 | 0 | 0 | 103.4 | E635 Q636 Q637 | D633-E635 PolarHBondContact OD1-N 2.9Å; D633-Q636 HydrophobicContact CB-CB 4.19Å; D633-Q636 WeakPolarHBondContact OD1-CB 3.38Å; D633-Q636 PolarHBondContact OD1-N 3.28Å; D633-Q637 PolarHBondContact O-N 2.95Å | ||
| 634 | R | 87.9 | Confident | 89.4 | Confident | 45 Ų | 45 | 44 Ų | 44 | 17% | 0.17 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -85.8 | -29.9 | -166.1 | -169.7 | -150.3 | 72.9 | 108 | 8.6 | 111.7 | E582 Q636 Q637 S638 V664 D666 T706 | E582-R634 HydrophobicContact CB-CB 4.38Å; E582-R634 WeakPolarHBondContact OE2-CB 3.38Å; E582-R634 PolarHBondContact OE2-N 3.26Å; R634-Q636 VanDerWaalsContact C-N 3.29Å; R634-Q637 CarbonylContact O-C 3.6Å; R634-Q637 PolarHBondContact O-N 3.05Å; R634-S638 PolarHBondContact O-N 3.19Å; R634-S638 VanDerWaalsContact O-N 3.09Å; R634-V664 HydrophobicContact CB-CB 4.25Å; R634-V664 HydrophobicContact CB-CG1 3.73Å; R634-V664 HydrophobicContact CG-CB 4.02Å; R634-V664 HydrophobicContact CG-CG1 3.95Å; R634-D666 IonicContact CZ-OD1 3.88Å; R634-D666 IonicContact NE-OD1 2.61Å; R634-D666 PolarHBondContact NE-OD1 3.35Å; R634-D666 VanDerWaalsContact NE-OD1 3.15Å; R634-D666 IonicContact NH1-OD1 3.05Å; R634-D666 PolarHBondContact NH1-OD1 3.22Å; R634-D666 VanDerWaalsContact NH1-OD1 3.15Å; R634-D666 IonicContact NH2-OD1 3.28Å; R634-D666 PolarHBondContact NH2-OD1 3.29Å; R634-T706 VanDerWaalsContact CZ-OG1 3.3Å; R634-T706 PolarHBondContact NH1-OG1 3.38Å; R634-T706 PolarHBondContact NH2-OG1 3.14Å |
| 635 | E | 86.4 | Confident | 89.6 | Confident | 73 Ų | 73 | 46.9 Ų | 46.9 | 34% | 0.341 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 173.2 | -72.9 | 54.2 | -113.6 | 0 | 0 | 110.4 | D633 | D633-E635 PolarHBondContact OD1-N 2.9Å |
| 636 | Q | 86.3 | Confident | 89.6 | Confident | 156 Ų | 156 | 45.5 Ų | 45.5 | 73% | 0.729 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -72.9 | -52.3 | 166.9 | -173.8 | 178.6 | -4.8 | 0 | 0 | 111.6 | D633 R634 | D633-Q636 HydrophobicContact CB-CB 4.19Å; D633-Q636 WeakPolarHBondContact OD1-CB 3.38Å; D633-Q636 PolarHBondContact OD1-N 3.28Å; R634-Q636 VanDerWaalsContact C-N 3.29Å |
| 637 | Q | 87.2 | Confident | 89.6 | Confident | 76 Ų | 76 | 46.9 Ų | 46.9 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -153.1 | 100.2 | -177.7 | -172.5 | 169.7 | -15.7 | 0 | 0 | 114.6 | D633 R634 S639 Y640 | D633-Q637 PolarHBondContact O-N 2.95Å; R634-Q637 CarbonylContact O-C 3.6Å; R634-Q637 PolarHBondContact O-N 3.05Å; Q637-S639 VanDerWaalsContact C-N 3.33Å; Q637-S639 WeakPolarHBondContact CG-O 3.32Å; Q637-S639 PolarHBondContact NE2-O 3.29Å; Q637-S639 PolarHBondContact O-N 3.34Å; Q637-Y640 HydrophobicContact CB-CE2 4.27Å; Q637-Y640 VanDerWaalsContact CD-CE1 3.44Å; Q637-Y640 HydrophobicContact CG-CD2 4.43Å; Q637-Y640 HydrophobicContact CG-CE1 4.28Å; Q637-Y640 HydrophobicContact CG-CE2 3.96Å; Q637-Y640 VanDerWaalsContact NE2-CD1 3.28Å |
| 638 | S | 85.9 | Confident | 89.7 | Confident | 63 Ų | 63 | 43.7 Ų | 43.7 | 44% | 0.441 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -70.9 | -14.6 | -178.8 | 60.2 | 0 | 0 | 0 | 0 | 116.4 | R634 V664 | R634-S638 PolarHBondContact O-N 3.19Å; R634-S638 VanDerWaalsContact O-N 3.09Å; S638-V664 PolarHBondContact O-N 2.95Å |
| 639 | S | 91.1 | Very high | 89.7 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 151 | 174 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | Q637 I662 | Q637-S639 VanDerWaalsContact C-N 3.33Å; Q637-S639 WeakPolarHBondContact CG-O 3.32Å; Q637-S639 PolarHBondContact NE2-O 3.29Å; Q637-S639 PolarHBondContact O-N 3.34Å; S639-I662 CarbonylContact C-O 3.57Å; S639-I662 VanDerWaalsContact CA-O 3.31Å; S639-I662 WeakPolarHBondContact CA-O 3.08Å |
| 640 | Y | 90.6 | Very high | 89.7 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.9 | 174.4 | -62.4 | -102.6 | 0 | 0 | 0 | 108.9 | N616 F617 F632 Q637 T661 I662 V664 | N616-Y640 HydrophobicContact CB-CD1 4.22Å; N616-Y640 HydrophobicContact CB-CE1 4.1Å; F617-Y640 AromaticContact CE2-CD1 3.59Å; F617-Y640 HydrophobicContact CE2-CD1 3.59Å; F617-Y640 HydrophobicContact CE2-CE1 4.43Å; F617-Y640 AromaticContact CE2-CG 3.68Å; F617-Y640 HydrophobicContact CE2-CG 3.68Å; F617-Y640 AromaticContact CZ-CD1 3.88Å; F617-Y640 HydrophobicContact CZ-CD1 3.88Å; F617-Y640 HydrophobicContact CZ-CD2 4.05Å; F617-Y640 AromaticContact CZ-CG 3.59Å; F617-Y640 HydrophobicContact CZ-CG 3.59Å; F632-Y640 HydrophobicContact CD1-CD2 4.42Å; F632-Y640 AromaticContact CD1-CE2 3.78Å; F632-Y640 HydrophobicContact CD1-CE2 3.78Å; F632-Y640 HydrophobicContact CE1-CD2 4.31Å; F632-Y640 HydrophobicContact CE1-CE2 4.03Å; Q637-Y640 HydrophobicContact CB-CE2 4.27Å; Q637-Y640 VanDerWaalsContact CD-CE1 3.44Å; Q637-Y640 HydrophobicContact CG-CD2 4.43Å; Q637-Y640 HydrophobicContact CG-CE1 4.28Å; Q637-Y640 HydrophobicContact CG-CE2 3.96Å; Q637-Y640 VanDerWaalsContact NE2-CD1 3.28Å; Y640-T661 WeakPolarHBondContact O-CA 3.26Å; Y640-I662 PolarHBondContact N-O 2.79Å; Y640-I662 PolarHBondContact O-N 3.19Å; Y640-V664 HydrophobicContact CD2-CG2 4.34Å; Y640-V664 HydrophobicContact CE2-CG2 4.09Å |
| 641 | T | 90.8 | Very high | 89.5 | Confident | 72 Ų | 72 | 53 Ų | 53 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 125.9 | 176.3 | -68.1 | 0 | 0 | 0 | 0 | 110.7 | K659 V660 T661 | T641-K659 HydrophobicContact CG2-CD 3.85Å; T641-K659 HydrophobicContact CG2-CG 3.98Å; T641-V660 VanDerWaalsContact CA-O 3.28Å; T641-V660 WeakPolarHBondContact CA-O 3.46Å; T641-T661 WeakPolarHBondContact OG1-CB 3.48Å; T641-T661 WeakPolarHBondContact OG1-CG2 3.22Å; T641-T661 PolarHBondContact OG1-OG1 3.44Å |
| 642 | F | 91.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 165.8 | -179.8 | 56.1 | -99.4 | 0 | 0 | 0 | 111 | I610 D613 F617 I626 V644 V660 I662 | I610-F642 HydrophobicContact CD1-CE2 4.12Å; I610-F642 HydrophobicContact CD1-CZ 4.42Å; I610-F642 HydrophobicContact CG1-CD2 4.2Å; I610-F642 HydrophobicContact CG1-CE2 3.95Å; I610-F642 HydrophobicContact CG2-CB 4.32Å; I610-F642 HydrophobicContact CG2-CD2 3.75Å; I610-F642 HydrophobicContact CG2-CE2 4.32Å; I610-F642 HydrophobicContact CG2-CG 4.14Å; D613-F642 HydrophobicContact CB-CB 3.63Å; D613-F642 HydrophobicContact CB-CD1 3.92Å; D613-F642 HydrophobicContact CB-CG 4.01Å; F617-F642 HydrophobicContact CB-CE1 4.17Å; F617-F642 HydrophobicContact CB-CZ 4.25Å; F617-F642 HydrophobicContact CD1-CE1 4.16Å; F617-F642 AromaticContact CD2-CD1 3.76Å; F617-F642 HydrophobicContact CD2-CD1 3.76Å; F617-F642 AromaticContact CD2-CE1 3.29Å; F617-F642 HydrophobicContact CD2-CE1 3.29Å; F617-F642 HydrophobicContact CD2-CZ 4.18Å; F617-F642 HydrophobicContact CE1-CE1 4.45Å; F617-F642 HydrophobicContact CE2-CD1 4.05Å; F617-F642 AromaticContact CE2-CE1 3.67Å; F617-F642 HydrophobicContact CE2-CE1 3.67Å; F617-F642 HydrophobicContact CG-CD1 4.43Å; F617-F642 AromaticContact CG-CE1 3.58Å; F617-F642 HydrophobicContact CG-CE1 3.58Å; F617-F642 HydrophobicContact CG-CZ 4.05Å; F617-F642 HydrophobicContact CZ-CE1 4.24Å; I626-F642 HydrophobicContact CD1-CE2 4.41Å; I626-F642 HydrophobicContact CD1-CZ 4.27Å; I626-F642 HydrophobicContact CG2-CZ 4.3Å; F642-V644 HydrophobicContact CD2-CG1 3.91Å; F642-V644 HydrophobicContact CE2-CG1 3.67Å; F642-V660 HydrophobicContact CD2-CB 4.11Å; F642-V660 HydrophobicContact CD2-CG2 4.44Å; F642-V660 HydrophobicContact CE2-CB 3.72Å; F642-V660 HydrophobicContact CE2-CG1 4.14Å; F642-V660 HydrophobicContact CE2-CG2 3.94Å; F642-V660 HydrophobicContact CZ-CB 4.03Å; F642-V660 HydrophobicContact CZ-CG1 3.95Å; F642-V660 PolarHBondContact N-O 3.39Å; F642-V660 PolarHBondContact O-N 2.77Å; F642-I662 HydrophobicContact CE1-CD1 3.66Å; F642-I662 HydrophobicContact CZ-CD1 3.92Å |
| 643 | D | 92.2 | Very high | 89.8 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.4 | 178.5 | -51.2 | -74.1 | 0 | 0 | 0 | 110 | L611 N612 V657 A658 K659 | L611-D643 HydrophobicContact CD1-CB 4.39Å; L611-D643 PolarHBondContact N-O 2.74Å; N612-D643 PolarHBondContact ND2-OD2 2.85Å; D643-V657 HydrophobicContact CB-CG1 3.83Å; D643-A658 WeakPolarHBondContact CA-O 3.22Å; D643-K659 WeakPolarHBondContact OD1-CE 3.01Å |
| 644 | V | 93.3 | Very high | 90 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.9 | 177.9 | -68.6 | 0 | 0 | 0 | 0 | 109.9 | F571 I593 S609 I610 L619 F642 V657 A658 V660 | F571-V644 HydrophobicContact CE1-CG2 3.64Å; F571-V644 HydrophobicContact CZ-CB 4.47Å; F571-V644 HydrophobicContact CZ-CG2 3.85Å; F571-V644 WeakPolarHBondContact CZ-O 3.39Å; I593-V644 HydrophobicContact CD1-CB 3.99Å; I593-V644 HydrophobicContact CD1-CG1 4.01Å; I593-V644 HydrophobicContact CD1-CG2 3.81Å; S609-V644 CarbonylContact O-C 3.55Å; S609-V644 VanDerWaalsContact O-CA 3.31Å; S609-V644 WeakPolarHBondContact O-CA 3.25Å; I610-V644 HydrophobicContact CG1-CG1 3.98Å; L619-V644 HydrophobicContact CD2-CG1 4.12Å; F642-V644 HydrophobicContact CD2-CG1 3.91Å; F642-V644 HydrophobicContact CE2-CG1 3.67Å; V644-V657 VanDerWaalsContact O-CA 3.29Å; V644-V657 WeakPolarHBondContact O-CA 3.43Å; V644-A658 HydrophobicContact CG2-CB 4.24Å; V644-A658 WeakPolarHBondContact CG2-O 3.49Å; V644-A658 PolarHBondContact N-O 3.43Å; V644-A658 PolarHBondContact O-N 3.23Å; V644-V660 HydrophobicContact CG1-CG2 3.88Å; V644-V660 HydrophobicContact CG2-CG2 3.82Å |
| 645 | K | 93 | Very high | 90.2 | Very high | 59 Ų | 59 | 55.6 Ų | 55.6 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.1 | 178.8 | -169 | -173.8 | -174.6 | -152.2 | 0 | 110.4 | S609 L611 V647 S655 S656 V657 | S609-K645 PolarHBondContact N-O 3.06Å; S609-K645 PolarHBondContact O-N 3.17Å; S609-K645 PolarHBondContact OG-O 2.89Å; L611-K645 HydrophobicContact CD1-CB 4.1Å; L611-K645 HydrophobicContact CD2-CB 3.85Å; L611-K645 HydrophobicContact CD2-CD 4.28Å; L611-K645 HydrophobicContact CG-CB 3.94Å; K645-V647 HydrophobicContact CD-CG2 3.72Å; K645-V647 HydrophobicContact CG-CG2 3.93Å; K645-S655 WeakPolarHBondContact CE-OG 3.34Å; K645-S655 PolarHBondContact NZ-OG 3.36Å; K645-S655 VanDerWaalsContact NZ-OG 3.07Å; K645-S656 WeakPolarHBondContact CA-O 3.36Å; K645-S656 WeakPolarHBondContact CG-O 3.45Å; K645-V657 HydrophobicContact CB-CG2 4.31Å; K645-V657 HydrophobicContact CG-CG2 4.08Å |
| 646 | A | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P569 F571 V595 V606 S607 L608 S655 S656 | P569-A646 HydrophobicContact CB-CB 3.71Å; F571-A646 HydrophobicContact CE2-CB 3.64Å; F571-A646 HydrophobicContact CZ-CB 3.69Å; V595-A646 HydrophobicContact CG1-CB 3.96Å; V595-A646 HydrophobicContact CG2-CB 4.17Å; V606-A646 HydrophobicContact CG1-CB 3.82Å; S607-A646 WeakPolarHBondContact O-CA 3.37Å; L608-A646 HydrophobicContact CD2-CB 3.75Å; A646-S655 WeakPolarHBondContact O-CA 3.42Å; A646-S655 WeakPolarHBondContact O-CB 3.45Å; A646-S656 PolarHBondContact N-O 2.86Å; A646-S656 PolarHBondContact O-N 2.83Å; A646-S656 VanDerWaalsContact O-N 3.14Å |
| 647 | V | 93.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 119.2 | 178.4 | -164.8 | 0 | 0 | 0 | 0 | 108.1 | S607 K645 P653 C654 | S607-V647 PolarHBondContact N-O 2.9Å; S607-V647 PolarHBondContact O-N 2.73Å; S607-V647 PolarHBondContact OG-O 2.75Å; K645-V647 HydrophobicContact CD-CG2 3.72Å; K645-V647 HydrophobicContact CG-CG2 3.93Å; V647-P653 HydrophobicContact CG1-CB 4.17Å; V647-C654 WeakPolarHBondContact CG1-O 3.01Å |
| 648 | D | 93.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | trans | -62.2 | 171.3 | 168.3 | 45.7 | 94.2 | 0 | 0 | 0 | 113.1 | N565 P569 N603 G650 P653 C654 | N565-D648 PolarHBondContact ND2-OD1 2.8Å; N565-D648 PolarHBondContact OD1-OD1 3.36Å; P569-D648 WeakPolarHBondContact CD-OD2 3.33Å; P569-D648 HydrophobicContact CG-CB 4.05Å; P569-D648 WeakPolarHBondContact CG-OD2 3.42Å; N603-D648 WeakPolarHBondContact O-CB 3.25Å; D648-G650 PolarHBondContact OD1-N 3.03Å; D648-P653 VanDerWaalsContact OD1-CA 3.22Å; D648-P653 WeakPolarHBondContact OD1-CA 3.42Å; D648-C654 VanDerWaalsContact CG-N 3.31Å; D648-C654 PolarHBondContact OD1-N 2.88Å; D648-C654 WeakPolarHBondContact OD2-CA 3.49Å; D648-C654 WeakPolarHBondContact OD2-CB 3.33Å; D648-C654 PolarHBondContact OD2-N 3.36Å | ||
| 649 | S | 90.6 | Very high | 91.4 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 40% | 0.399 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -97.5 | 8.6 | 175.1 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | E602 A605 | E602-S649 CarbonylContact O-C 3.4Å; E602-S649 WeakPolarHBondContact O-CA 3.27Å; E602-S649 VanDerWaalsContact O-CB 3.28Å; E602-S649 WeakPolarHBondContact O-CB 3.44Å; E602-S649 PolarHBondContact O-N 3.33Å; A605-S649 PolarHBondContact O-N 2.95Å; A605-S649 PolarHBondContact O-OG 3.34Å |
| 650 | G | 87.9 | Confident | 91.6 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | trans | -71.1 | 178.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | N565 N603 D648 P652 P653 | N565-G650 WeakPolarHBondContact OD1-CA 3.46Å; N603-G650 VanDerWaalsContact OD1-CA 3.25Å; N603-G650 WeakPolarHBondContact OD1-CA 3.48Å; D648-G650 PolarHBondContact OD1-N 3.03Å; G650-P652 CarbonylContact O-C 3.42Å; G650-P653 WeakPolarHBondContact O-CA 3.2Å; G650-P653 WeakPolarHBondContact O-CB 3.28Å | ||
| 651 | R | 83.9 | Confident | 91.6 | Very high | 214 Ų | 214 | 45.6 Ų | 45.6 | 81% | 0.808 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -143.5 | 103.8 | -172.3 | -60.7 | -172.6 | -167.2 | -177.6 | 9.1 | 112.1 | ||
| 652 | P | 88.1 | Confident | 91.7 | Very high | 105 Ų | 105 | 42.1 Ų | 42.1 | 68% | 0.682 | 23% | 0.23 | S | C | * | . | S | Bend | cis | -67.2 | 145.4 | 0.7 | 30.3 | -36 | 0 | 0 | 0 | 112 | N565 G650 C654 | N565-P652 PolarHBondContact ND2-O 3.09Å; G650-P652 CarbonylContact O-C 3.42Å; P652-C654 PolarHBondContact O-N 2.92Å |
| 653 | P | 90.6 | Very high | 91.7 | Very high | 80 Ų | 80 | 44 Ų | 44 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | trans | -72.4 | 130 | 177.8 | 28.8 | -33.7 | 0 | 0 | 0 | 110.7 | V647 D648 G650 | V647-P653 HydrophobicContact CG1-CB 4.17Å; D648-P653 VanDerWaalsContact OD1-CA 3.22Å; D648-P653 WeakPolarHBondContact OD1-CA 3.42Å; G650-P653 WeakPolarHBondContact O-CA 3.2Å; G650-P653 WeakPolarHBondContact O-CB 3.28Å | ||
| 654 | C | 90.3 | Very high | 91.6 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | trans | -81.5 | 177.4 | 172 | -81.1 | 0 | 0 | 0 | 0 | 110.3 | N567 N568 V647 D648 P652 | N567-C654 WeakPolarHBondContact O-CB 3.24Å; N567-C654 PolarHBondContact O-SG 3.33Å; N568-C654 HydrophobicContact CB-CB 4.45Å; N568-C654 WeakPolarHBondContact OD1-CB 3.19Å; V647-C654 WeakPolarHBondContact CG1-O 3.01Å; D648-C654 VanDerWaalsContact CG-N 3.31Å; D648-C654 PolarHBondContact OD1-N 2.88Å; D648-C654 WeakPolarHBondContact OD2-CA 3.49Å; D648-C654 WeakPolarHBondContact OD2-CB 3.33Å; D648-C654 PolarHBondContact OD2-N 3.36Å; P652-C654 PolarHBondContact O-N 2.92Å | ||
| 655 | S | 92.2 | Very high | 91.4 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 32% | 0.315 | 25% | 0.252 | S | S | . | . | trans | -174 | 156.7 | 171.4 | 41.2 | 0 | 0 | 0 | 0 | 115 | N568 K645 A646 | N568-S655 PolarHBondContact OD1-N 2.84Å; N568-S655 PolarHBondContact OD1-O 2.95Å; K645-S655 WeakPolarHBondContact CE-OG 3.34Å; K645-S655 PolarHBondContact NZ-OG 3.36Å; K645-S655 VanDerWaalsContact NZ-OG 3.07Å; A646-S655 WeakPolarHBondContact O-CA 3.42Å; A646-S655 WeakPolarHBondContact O-CB 3.45Å | ||
| 656 | S | 93.5 | Very high | 91 | Very high | 30 Ų | 30 | 45.3 Ų | 45.3 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 171.9 | 169.7 | 73.7 | 0 | 0 | 0 | 0 | 112.5 | P569 F571 K645 A646 | P569-S656 WeakPolarHBondContact O-CB 3.49Å; P569-S656 PolarHBondContact O-OG 3.31Å; F571-S656 VanDerWaalsContact CD2-OG 3.23Å; F571-S656 WeakPolarHBondContact CD2-OG 3.41Å; F571-S656 VanDerWaalsContact CE2-OG 3.25Å; F571-S656 WeakPolarHBondContact CE2-OG 3.44Å; K645-S656 WeakPolarHBondContact CA-O 3.36Å; K645-S656 WeakPolarHBondContact CG-O 3.45Å; A646-S656 PolarHBondContact N-O 2.86Å; A646-S656 PolarHBondContact O-N 2.83Å; A646-S656 VanDerWaalsContact O-N 3.14Å |
| 657 | V | 93.1 | Very high | 90.6 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.5 | 179 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | L611 D643 V644 K645 | L611-V657 HydrophobicContact CD1-CG1 4.25Å; L611-V657 HydrophobicContact CD1-CG2 4.18Å; D643-V657 HydrophobicContact CB-CG1 3.83Å; V644-V657 VanDerWaalsContact O-CA 3.29Å; V644-V657 WeakPolarHBondContact O-CA 3.43Å; K645-V657 HydrophobicContact CB-CG2 4.31Å; K645-V657 HydrophobicContact CG-CG2 4.08Å |
| 658 | A | 92.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 157.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | F571 F576 D643 V644 | F571-A658 HydrophobicContact CB-CB 3.97Å; F571-A658 HydrophobicContact CD1-CB 3.63Å; F571-A658 HydrophobicContact CD2-CB 3.6Å; F571-A658 HydrophobicContact CE1-CB 3.96Å; F571-A658 HydrophobicContact CE2-CB 3.93Å; F571-A658 HydrophobicContact CG-CB 3.45Å; F571-A658 VanDerWaalsContact CG-CB 3.45Å; F571-A658 HydrophobicContact CZ-CB 4.1Å; F576-A658 HydrophobicContact CD2-CB 4.41Å; F576-A658 HydrophobicContact CE2-CB 4.15Å; D643-A658 WeakPolarHBondContact CA-O 3.22Å; V644-A658 HydrophobicContact CG2-CB 4.24Å; V644-A658 WeakPolarHBondContact CG2-O 3.49Å; V644-A658 PolarHBondContact N-O 3.43Å; V644-A658 PolarHBondContact O-N 3.23Å |
| 659 | K | 92.9 | Very high | 89.8 | Confident | 91 Ų | 91 | 49.9 Ų | 49.9 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 143.4 | 178.3 | -176 | 165.8 | -68.9 | -168.2 | 0 | 111.3 | N574 H575 F576 T641 D643 | N574-K659 PolarHBondContact O-N 3.3Å; H575-K659 CarbonylContact C-O 3.53Å; H575-K659 WeakPolarHBondContact CA-O 3.33Å; H575-K659 WeakPolarHBondContact ND1-CB 3.29Å; H575-K659 WeakPolarHBondContact ND1-CG 3.34Å; F576-K659 PolarHBondContact N-O 3.2Å; T641-K659 HydrophobicContact CG2-CD 3.85Å; T641-K659 HydrophobicContact CG2-CG 3.98Å; D643-K659 WeakPolarHBondContact OD1-CE 3.01Å |
| 660 | V | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.7 | 173.1 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | F576 F578 I593 I626 T641 F642 V644 I662 | F576-V660 HydrophobicContact CB-CG2 4.37Å; F576-V660 WeakPolarHBondContact O-CA 3.39Å; F578-V660 HydrophobicContact CD2-CG1 3.77Å; F578-V660 HydrophobicContact CE2-CG1 3.79Å; I593-V660 HydrophobicContact CG2-CG2 4.18Å; I626-V660 HydrophobicContact CD1-CG1 4.08Å; I626-V660 HydrophobicContact CD1-CG2 4.24Å; T641-V660 VanDerWaalsContact CA-O 3.28Å; T641-V660 WeakPolarHBondContact CA-O 3.46Å; F642-V660 HydrophobicContact CD2-CB 4.11Å; F642-V660 HydrophobicContact CD2-CG2 4.44Å; F642-V660 HydrophobicContact CE2-CB 3.72Å; F642-V660 HydrophobicContact CE2-CG1 4.14Å; F642-V660 HydrophobicContact CE2-CG2 3.94Å; F642-V660 HydrophobicContact CZ-CB 4.03Å; F642-V660 HydrophobicContact CZ-CG1 3.95Å; F642-V660 PolarHBondContact N-O 3.39Å; F642-V660 PolarHBondContact O-N 2.77Å; V644-V660 HydrophobicContact CG1-CG2 3.88Å; V644-V660 HydrophobicContact CG2-CG2 3.82Å; V660-I662 HydrophobicContact CG1-CD1 4.35Å; V660-I662 HydrophobicContact CG1-CG1 4.1Å |
| 661 | T | 92.4 | Very high | 89.4 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.8 | 166.9 | -67 | 0 | 0 | 0 | 0 | 109.4 | H575 F576 Q577 F578 Y640 T641 N663 | H575-T661 PolarHBondContact CE1-OG1 2.88Å; H575-T661 VanDerWaalsContact CE1-OG1 3.28Å; F576-T661 PolarHBondContact O-N 3.13Å; Q577-T661 WeakPolarHBondContact CA-O 3.12Å; F578-T661 PolarHBondContact N-O 2.74Å; Y640-T661 WeakPolarHBondContact O-CA 3.26Å; T641-T661 WeakPolarHBondContact OG1-CB 3.48Å; T641-T661 WeakPolarHBondContact OG1-CG2 3.22Å; T641-T661 PolarHBondContact OG1-OG1 3.44Å; T661-N663 WeakPolarHBondContact CG2-OD1 3.28Å |
| 662 | I | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 115.1 | 177.9 | -63.5 | 163.9 | 0 | 0 | 0 | 106.6 | F578 V580 V590 F617 I626 S639 Y640 F642 V660 | F578-I662 HydrophobicContact CB-CG1 4.28Å; F578-I662 HydrophobicContact CD2-CG1 4.26Å; V580-I662 HydrophobicContact CG1-CG2 4.41Å; V580-I662 HydrophobicContact CG2-CG2 3.58Å; V590-I662 HydrophobicContact CG1-CB 4.43Å; V590-I662 HydrophobicContact CG1-CD1 3.65Å; V590-I662 HydrophobicContact CG1-CG1 3.75Å; V590-I662 HydrophobicContact CG1-CG2 3.8Å; F617-I662 HydrophobicContact CD1-CD1 3.71Å; F617-I662 HydrophobicContact CE1-CD1 3.25Å; F617-I662 HydrophobicContact CE2-CD1 4.34Å; F617-I662 HydrophobicContact CG-CD1 4.42Å; F617-I662 HydrophobicContact CZ-CD1 3.62Å; I626-I662 HydrophobicContact CG2-CD1 4.38Å; S639-I662 CarbonylContact C-O 3.57Å; S639-I662 VanDerWaalsContact CA-O 3.31Å; S639-I662 WeakPolarHBondContact CA-O 3.08Å; Y640-I662 PolarHBondContact N-O 2.79Å; Y640-I662 PolarHBondContact O-N 3.19Å; F642-I662 HydrophobicContact CE1-CD1 3.66Å; F642-I662 HydrophobicContact CZ-CD1 3.92Å; V660-I662 HydrophobicContact CG1-CD1 4.35Å; V660-I662 HydrophobicContact CG1-CG1 4.1Å |
| 663 | N | 91 | Very high | 89.6 | Confident | 39 Ų | 39 | 43 Ų | 43 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.9 | 177.6 | -52.6 | -62.9 | 0 | 0 | 0 | 108.9 | F578 F579 V580 T661 | F578-N663 PolarHBondContact O-N 2.83Å; F579-N663 WeakPolarHBondContact CA-O 3.25Å; F579-N663 HydrophobicContact CD1-CB 3.74Å; F579-N663 HydrophobicContact CE1-CB 3.85Å; F579-N663 VanDerWaalsContact CE1-ND2 3.29Å; F579-N663 WeakPolarHBondContact CE1-ND2 3.27Å; F579-N663 WeakPolarHBondContact CZ-ND2 3.13Å; V580-N663 PolarHBondContact N-O 2.79Å; T661-N663 WeakPolarHBondContact CG2-OD1 3.28Å |
| 664 | V | 91.1 | Very high | 89.4 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.4 | 175 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | V580 E582 F632 R634 S638 Y640 | V580-V664 HydrophobicContact CG2-CG2 4.37Å; V580-V664 CarbonylContact O-C 3.25Å; V580-V664 VanDerWaalsContact O-CA 3.31Å; V580-V664 WeakPolarHBondContact O-CA 3.18Å; E582-V664 HydrophobicContact CB-CG1 3.7Å; F632-V664 HydrophobicContact CB-CG1 3.84Å; F632-V664 HydrophobicContact CB-CG2 4.04Å; F632-V664 HydrophobicContact CD1-CG2 4.08Å; F632-V664 HydrophobicContact CG-CG2 4.12Å; R634-V664 HydrophobicContact CB-CB 4.25Å; R634-V664 HydrophobicContact CB-CG1 3.73Å; R634-V664 HydrophobicContact CG-CB 4.02Å; R634-V664 HydrophobicContact CG-CG1 3.95Å; S638-V664 PolarHBondContact O-N 2.95Å; Y640-V664 HydrophobicContact CD2-CG2 4.34Å; Y640-V664 HydrophobicContact CE2-CG2 4.09Å |
| 665 | I | 88.4 | Confident | 89.2 | Confident | 77 Ų | 77 | 43.4 Ų | 43.4 | 40% | 0.395 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 142.4 | 178.5 | 71.4 | 172.6 | 0 | 0 | 0 | 111.4 | F579 V580 E582 | F579-I665 HydrophobicContact CB-CG2 4.25Å; F579-I665 HydrophobicContact CD1-CG2 4.14Å; V580-I665 PolarHBondContact O-N 2.68Å; E582-I665 PolarHBondContact N-O 3.47Å; E582-I665 VanDerWaalsContact N-O 3.08Å |
| 666 | D | 85.4 | Confident | 88.7 | Confident | 39 Ų | 39 | 47.1 Ų | 47.1 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | trans | -64.9 | 134.4 | -170.6 | -152.9 | 111.7 | 0 | 0 | 0 | 113.1 | E582 R634 T706 N709 | E582-D666 WeakPolarHBondContact OE1-CA 3.16Å; R634-D666 IonicContact CZ-OD1 3.88Å; R634-D666 IonicContact NE-OD1 2.61Å; R634-D666 PolarHBondContact NE-OD1 3.35Å; R634-D666 VanDerWaalsContact NE-OD1 3.15Å; R634-D666 IonicContact NH1-OD1 3.05Å; R634-D666 PolarHBondContact NH1-OD1 3.22Å; R634-D666 VanDerWaalsContact NH1-OD1 3.15Å; R634-D666 IonicContact NH2-OD1 3.28Å; R634-D666 PolarHBondContact NH2-OD1 3.29Å; D666-T706 WeakPolarHBondContact OD1-CA 3.21Å; D666-T706 WeakPolarHBondContact OD1-CB 3.41Å; D666-T706 PolarHBondContact OD1-N 3.06Å; D666-T706 PolarHBondContact OD1-OG1 3.48Å; D666-T706 PolarHBondContact OD2-N 3.27Å; D666-N709 PolarHBondContact OD2-ND2 3.02Å | ||
| 667 | V | 86 | Confident | 88 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | trans | -136.3 | 127.4 | 176.9 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | E582 D669 | E582-V667 HydrophobicContact CG-CB 3.8Å; E582-V667 HydrophobicContact CG-CG2 3.98Å; E582-V667 PolarHBondContact OE1-N 3.44Å; V667-D669 PolarHBondContact O-N 3.19Å | ||
| 668 | N | 86.3 | Confident | 87.1 | Confident | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | trans | -66.1 | 91.3 | -171.9 | -161.7 | 102.4 | 0 | 0 | 0 | 113.8 | D705 N709 D756 G758 L763 | N668-D705 WeakPolarHBondContact CA-OD2 3.47Å; N668-N709 HydrophobicContact CB-CB 3.97Å; N668-N709 PolarHBondContact N-ND2 3.06Å; N668-N709 WeakPolarHBondContact OD1-CA 3.43Å; N668-N709 WeakPolarHBondContact OD1-CB 3.36Å; N668-N709 PolarHBondContact OD1-O 2.8Å; N668-N709 VanDerWaalsContact OD1-O 3.14Å; N668-D756 PolarHBondContact ND2-OD2 3.11Å; N668-D756 PolarHBondContact OD1-OD2 2.96Å; N668-G758 VanDerWaalsContact OD1-CA 3.26Å; N668-G758 WeakPolarHBondContact OD1-CA 3.07Å; N668-L763 WeakPolarHBondContact ND2-CD1 3.41Å; N668-L763 WeakPolarHBondContact ND2-CG 3.34Å | ||
| 669 | D | 82.9 | Confident | 86.2 | Confident | 75 Ų | 75 | 50 Ų | 50 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | trans | -126.9 | -18.5 | -178 | 92.7 | -0.9 | 0 | 0 | 0 | 115 | N583 V667 D705 | N583-D669 PolarHBondContact ND2-OD2 2.67Å; V667-D669 PolarHBondContact O-N 3.19Å; D669-D705 PolarHBondContact N-OD2 3.28Å | ||
| 670 | N | 85.2 | Confident | 85.2 | Confident | 58 Ų | 58 | 49.3 Ų | 49.3 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -78.1 | 151.1 | 167.7 | -68.7 | -82.3 | 0 | 0 | 0 | 111 | D703 D705 L763 | N670-D703 VanDerWaalsContact CB-OD1 3.23Å; N670-D703 WeakPolarHBondContact CB-OD1 3.37Å; N670-D705 VanDerWaalsContact CB-OD1 3.27Å; N670-D705 WeakPolarHBondContact CB-OD1 3.12Å; N670-D705 PolarHBondContact N-OD1 2.82Å; N670-D705 PolarHBondContact N-OD2 2.89Å; N670-D705 PolarHBondContact ND2-OD1 2.98Å; N670-L763 WeakPolarHBondContact O-CD1 3.47Å |
| 671 | T | 85.6 | Confident | 84.1 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | trans | -112.3 | 139.9 | -177 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | I673 L763 | T671-I673 VanDerWaalsContact O-CG1 3.24Å; T671-I673 WeakPolarHBondContact O-CG1 3.45Å; T671-I673 PolarHBondContact O-N 2.75Å; T671-I673 VanDerWaalsContact O-N 3.08Å; T671-L763 HydrophobicContact CG2-CB 4.18Å; T671-L763 HydrophobicContact CG2-CD1 4.04Å | ||
| 672 | P | 89.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -54.2 | 114.6 | -177.3 | -28.4 | 32 | 0 | 0 | 0 | 113.8 | D703 L712 I754 D756 T765 | P672-D703 WeakPolarHBondContact CA-OD2 3.32Å; P672-D703 WeakPolarHBondContact CD-OD2 3.5Å; P672-D703 VanDerWaalsContact CG-OD2 3.23Å; P672-D703 WeakPolarHBondContact CG-OD2 3.29Å; P672-L712 HydrophobicContact CB-CD1 4.42Å; P672-L712 HydrophobicContact CB-CD2 3.76Å; P672-L712 HydrophobicContact CG-CD2 3.61Å; P672-I754 HydrophobicContact CB-CG2 4.06Å; P672-D756 HydrophobicContact CG-CB 4.33Å; P672-T765 VanDerWaalsContact O-CB 3.23Å; P672-T765 WeakPolarHBondContact O-CB 3.38Å; P672-T765 PolarHBondContact O-OG1 2.77Å | ||
| 673 | I | 87.3 | Confident | 82.9 | Confident | 104 Ų | 104 | 55.3 Ų | 55.3 | 53% | 0.533 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 118.4 | -176.4 | -53.1 | -173.8 | 0 | 0 | 0 | 110.2 | T671 I675 A701 V702 | T671-I673 VanDerWaalsContact O-CG1 3.24Å; T671-I673 WeakPolarHBondContact O-CG1 3.45Å; T671-I673 PolarHBondContact O-N 2.75Å; T671-I673 VanDerWaalsContact O-N 3.08Å; I673-I675 HydrophobicContact CG2-CD1 4.38Å; I673-A701 CarbonylContact O-C 3.59Å; I673-A701 WeakPolarHBondContact O-CA 3.01Å; I673-A701 VanDerWaalsContact O-CB 3.26Å; I673-A701 WeakPolarHBondContact O-CB 3.49Å; I673-V702 PolarHBondContact N-O 2.62Å; I673-V702 PolarHBondContact O-N 2.81Å |
| 674 | V | 86.4 | Confident | 82.6 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 128.6 | -177.9 | -165.6 | 0 | 0 | 0 | 0 | 111.7 | Y676 A701 I754 T765 V767 | V674-Y676 WeakPolarHBondContact CG1-O 3.38Å; V674-A701 HydrophobicContact CG2-CB 4.47Å; V674-I754 HydrophobicContact CB-CD1 4.46Å; V674-I754 HydrophobicContact CG1-CD1 4.15Å; V674-I754 HydrophobicContact CG2-CD1 3.54Å; V674-T765 HydrophobicContact CG2-CG2 3.67Å; V674-V767 HydrophobicContact CG1-CB 4.36Å; V674-V767 HydrophobicContact CG1-CG2 4.19Å; V674-V767 HydrophobicContact CG2-CB 4.47Å |
| 675 | I | 85.9 | Confident | 82.2 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -36.3 | -179.9 | -50.4 | -58.2 | 0 | 0 | 0 | 111.1 | I673 F700 V702 | I673-I675 HydrophobicContact CG2-CD1 4.38Å; I675-F700 HydrophobicContact CB-CD1 4.02Å; I675-F700 HydrophobicContact CG1-CD1 4.36Å; I675-F700 HydrophobicContact CG1-CE1 4.47Å; I675-F700 HydrophobicContact CG2-CD1 4.47Å; I675-F700 PolarHBondContact N-O 3.32Å; I675-V702 HydrophobicContact CD1-CG2 4.07Å; I675-V702 HydrophobicContact CG1-CG2 4.1Å |
| 676 | Y | 81.7 | Confident | 82 | Confident | 122 Ų | 122 | 57 Ų | 57 | 48% | 0.478 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140 | 173.4 | -71.9 | -87.5 | 0 | 0 | 0 | 111.4 | V674 V699 F700 | V674-Y676 WeakPolarHBondContact CG1-O 3.38Å; Y676-V699 WeakPolarHBondContact O-CA 3.5Å; Y676-F700 HydrophobicContact CD2-CB 4.49Å; Y676-F700 HydrophobicContact CD2-CD1 4.42Å; Y676-F700 PolarHBondContact N-O 2.82Å; Y676-F700 PolarHBondContact O-N 2.79Å |
| 677 | P | 79.3 | Confident | 81.8 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 14% | 0.143 | 31% | 0.311 | C | S | . | . | S | Bend | cis | -67.7 | 148.9 | -2.4 | 27.8 | -36.4 | 0 | 0 | 0 | 113.7 | S679 S682 V767 V769 | P677-S679 PolarHBondContact O-N 3.14Å; P677-S682 WeakPolarHBondContact CB-OG 3.35Å; P677-V767 HydrophobicContact CG-CG2 3.95Å; P677-V769 HydrophobicContact CG-CG2 4.33Å |
| 678 | P | 73.9 | Confident | 81.5 | Confident | 105 Ų | 105 | 56 Ų | 56 | 68% | 0.682 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -75.4 | -7 | -171.1 | 32.4 | -37.8 | 0 | 0 | 0 | 114.1 | ||
| 679 | S | 73.9 | Confident | 81.1 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 33% | 0.329 | 33% | 0.329 | S | S | . | . | trans | -155 | 146.1 | 168 | 76.9 | 0 | 0 | 0 | 0 | 111.8 | P677 T681 S682 | P677-S679 PolarHBondContact O-N 3.14Å; S679-T681 PolarHBondContact O-N 3.32Å; S679-T681 PolarHBondContact OG-N 2.9Å; S679-T681 PolarHBondContact OG-OG1 3.47Å; S679-S682 PolarHBondContact O-N 2.79Å; S679-S682 VanDerWaalsContact O-N 3.11Å; S679-S682 PolarHBondContact O-OG 2.7Å; S679-S682 PolarHBondContact OG-N 2.93Å | ||
| 680 | N | 72.2 | Confident | 81.1 | Confident | 76 Ų | 76 | 56.7 Ų | 56.7 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 4.1 | 172.2 | -70 | -18.1 | 0 | 0 | 0 | 113.9 | L768 F770 M791 | N680-L768 HydrophobicContact CB-CB 4.47Å; N680-F770 WeakPolarHBondContact O-CE2 3.25Å; N680-M791 HydrophobicContact CB-CE 3.92Å; N680-M791 WeakPolarHBondContact O-CE 3.23Å |
| 681 | T | 69.9 | Low | 80.9 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 42% | 0.423 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -4.2 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | S679 Y784 M791 | S679-T681 PolarHBondContact O-N 3.32Å; S679-T681 PolarHBondContact OG-N 2.9Å; S679-T681 PolarHBondContact OG-OG1 3.47Å; T681-Y784 WeakPolarHBondContact O-CE1 3.12Å; T681-M791 HydrophobicContact CG2-CE 4.26Å; T681-M791 HydrophobicContact CG2-SD 4.04Å |
| 682 | S | 77.9 | Confident | 80.8 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | trans | -76.6 | 149.3 | 176.8 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | P677 S679 | P677-S682 WeakPolarHBondContact CB-OG 3.35Å; S679-S682 PolarHBondContact O-N 2.79Å; S679-S682 VanDerWaalsContact O-N 3.11Å; S679-S682 PolarHBondContact O-OG 2.7Å; S679-S682 PolarHBondContact OG-N 2.93Å | ||
| 683 | F | 81.8 | Confident | 80.4 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 19% | 0.189 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 153.4 | 175.9 | 74 | -87.9 | 0 | 0 | 0 | 112.1 | F770 I783 Y784 I787 | F683-F770 CarbonylContact C-O 3.56Å; F683-F770 WeakPolarHBondContact CA-O 3.35Å; F683-F770 HydrophobicContact CB-CB 3.78Å; F683-F770 WeakPolarHBondContact CB-O 3.41Å; F683-I783 HydrophobicContact CD1-CG2 3.79Å; F683-I783 HydrophobicContact CD2-CG2 4.04Å; F683-I783 HydrophobicContact CE1-CB 4.14Å; F683-I783 HydrophobicContact CE1-CG2 3.73Å; F683-I783 HydrophobicContact CE2-CD1 3.72Å; F683-I783 HydrophobicContact CE2-CG2 4Å; F683-I783 HydrophobicContact CG-CG2 3.96Å; F683-I783 HydrophobicContact CZ-CB 4.12Å; F683-I783 HydrophobicContact CZ-CD1 3.7Å; F683-I783 HydrophobicContact CZ-CG2 3.84Å; F683-Y784 HydrophobicContact CD1-CE1 4.09Å; F683-Y784 HydrophobicContact CE1-CE1 4.14Å; F683-Y784 AromaticContact CE1-CE2 3.98Å; F683-Y784 HydrophobicContact CE1-CE2 3.98Å; F683-Y784 AromaticContact CE1-CZ 3.76Å; F683-I787 HydrophobicContact CB-CD1 3.94Å; F683-I787 HydrophobicContact CD1-CD1 3.73Å; F683-I787 HydrophobicContact CG-CD1 4.15Å |
| 684 | K | 83.9 | Confident | 80.4 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144.9 | 170.5 | -64.3 | -92.6 | -172 | 163.5 | 0 | 109.6 | V696 A697 E698 F770 L771 Y772 | K684-V696 WeakPolarHBondContact CB-O 3.5Å; K684-A697 HydrophobicContact CG-CB 4.01Å; K684-E698 WeakPolarHBondContact CE-OE1 3.14Å; K684-E698 IonicContact NZ-OE1 2.76Å; K684-E698 PolarHBondContact NZ-OE1 3.19Å; K684-F770 PolarHBondContact N-O 2.91Å; K684-L771 HydrophobicContact CB-CD2 3.98Å; K684-Y772 PolarHBondContact O-N 3.29Å |
| 685 | L | 82.4 | Confident | 80.4 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 133.3 | 176.5 | -179.9 | 64.4 | 0 | 0 | 0 | 109.9 | Y772 N774 V777 | L685-Y772 HydrophobicContact CD1-CD1 3.92Å; L685-N774 WeakPolarHBondContact CD1-O 3.08Å; L685-V777 HydrophobicContact CD1-CG2 3.66Å; L685-V777 HydrophobicContact CD2-CG2 4.04Å; L685-V777 HydrophobicContact CG-CG2 4.38Å |
| 686 | V | 85.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 100.2 | 177.4 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | V696 L736 L771 Y772 V773 N774 | V686-V696 HydrophobicContact CG1-CG1 3.89Å; V686-V696 HydrophobicContact CG2-CB 3.87Å; V686-V696 HydrophobicContact CG2-CG1 4.01Å; V686-L736 HydrophobicContact CG1-CD1 4.49Å; V686-L771 HydrophobicContact CG2-CB 4.2Å; V686-Y772 PolarHBondContact N-O 3.29Å; V686-V773 HydrophobicContact CB-CG2 4.1Å; V686-V773 HydrophobicContact CG1-CG2 4.41Å; V686-V773 CarbonylContact O-C 3.59Å; V686-V773 VanDerWaalsContact O-CA 3.29Å; V686-V773 WeakPolarHBondContact O-CA 3.26Å; V686-N774 PolarHBondContact O-N 2.65Å |
| 687 | P | 81 | Confident | 80.6 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | trans | -58.1 | 152.3 | 174.3 | -27.6 | 36.3 | 0 | 0 | 0 | 113.7 | S689 S690 N774 D775 | P687-S689 VanDerWaalsContact CB-OG 3.23Å; P687-S689 WeakPolarHBondContact CB-OG 3.29Å; P687-S689 PolarHBondContact O-N 3.03Å; P687-S690 WeakPolarHBondContact CD-OG 3.17Å; P687-S690 WeakPolarHBondContact O-CB 3.35Å; P687-S690 PolarHBondContact O-N 2.84Å; P687-S690 VanDerWaalsContact O-N 3.12Å; P687-S690 PolarHBondContact O-OG 2.87Å; P687-S690 VanDerWaalsContact O-OG 3.05Å; P687-N774 WeakPolarHBondContact CA-O 3.48Å; P687-D775 WeakPolarHBondContact CB-OD1 3.29Å | ||
| 688 | L | 79.8 | Confident | 81 | Confident | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.1 | 169.1 | -66.3 | 134.8 | 0 | 0 | 0 | 111.1 | S690 K739 P740 I745 D775 | L688-S690 VanDerWaalsContact C-N 3.29Å; L688-K739 WeakPolarHBondContact O-CE 3.22Å; L688-P740 HydrophobicContact CD2-CB 4.23Å; L688-I745 HydrophobicContact CD1-CD1 3.83Å; L688-I745 HydrophobicContact CD1-CG1 4.02Å; L688-I745 HydrophobicContact CD2-CD1 4.13Å; L688-I745 HydrophobicContact CD2-CG1 3.81Å; L688-I745 HydrophobicContact CG-CG1 4.37Å; L688-D775 HydrophobicContact CD1-CB 4.44Å; L688-D775 PolarHBondContact N-OD1 3.49Å |
| 689 | S | 78.3 | Confident | 81.7 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 57% | 0.566 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -7.8 | 168.2 | 46.6 | 0 | 0 | 0 | 0 | 114.6 | P687 D775 | P687-S689 VanDerWaalsContact CB-OG 3.23Å; P687-S689 WeakPolarHBondContact CB-OG 3.29Å; P687-S689 PolarHBondContact O-N 3.03Å; S689-D775 PolarHBondContact N-OD1 2.63Å; S689-D775 PolarHBondContact OG-OD1 2.9Å |
| 690 | S | 82.2 | Confident | 82.4 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 146.6 | 178.2 | -67.8 | 0 | 0 | 0 | 0 | 113 | P687 L688 L736 | P687-S690 WeakPolarHBondContact CD-OG 3.17Å; P687-S690 WeakPolarHBondContact O-CB 3.35Å; P687-S690 PolarHBondContact O-N 2.84Å; P687-S690 VanDerWaalsContact O-N 3.12Å; P687-S690 PolarHBondContact O-OG 2.87Å; P687-S690 VanDerWaalsContact O-OG 3.05Å; L688-S690 VanDerWaalsContact C-N 3.29Å; S690-L736 VanDerWaalsContact CB-CD2 3.47Å |
| 691 | I | 81.3 | Confident | 83.2 | Confident | 125 Ų | 125 | 50.4 Ų | 50.4 | 64% | 0.641 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -100 | 136.3 | -174.3 | -49.1 | 177.4 | 0 | 0 | 0 | 109.1 | G693 S694 | I691-G693 PolarHBondContact O-N 2.77Å; I691-S694 VanDerWaalsContact O-CB 3.3Å; I691-S694 WeakPolarHBondContact O-CB 3.2Å; I691-S694 PolarHBondContact O-N 2.86Å; I691-S694 VanDerWaalsContact O-N 3.07Å; I691-S694 PolarHBondContact O-OG 2.99Å |
| 692 | P | 83.9 | Confident | 84.1 | Confident | 65 Ų | 65 | 50.1 Ų | 50.1 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | 137.4 | 165.7 | -31.2 | 38.1 | 0 | 0 | 0 | 112.7 | S694 L736 K739 | P692-S694 VanDerWaalsContact C-N 3.34Å; P692-L736 CarbonylContact C-O 3.46Å; P692-L736 WeakPolarHBondContact CA-O 3.09Å; P692-K739 HydrophobicContact CG-CB 4.25Å |
| 693 | G | 80.9 | Confident | 84.6 | Confident | 55 Ų | 55 | 50 Ų | 50 | 57% | 0.567 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -6.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I691 L736 | I691-G693 PolarHBondContact O-N 2.77Å; G693-L736 PolarHBondContact N-O 2.98Å |
| 694 | S | 85.7 | Confident | 84.8 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | trans | -75.3 | 140.8 | 174.5 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | I691 P692 T735 L736 | I691-S694 VanDerWaalsContact O-CB 3.3Å; I691-S694 WeakPolarHBondContact O-CB 3.2Å; I691-S694 PolarHBondContact O-N 2.86Å; I691-S694 VanDerWaalsContact O-N 3.07Å; I691-S694 PolarHBondContact O-OG 2.99Å; P692-S694 VanDerWaalsContact C-N 3.34Å; S694-T735 CarbonylContact O-C 3.54Å; S694-T735 VanDerWaalsContact O-CA 3.26Å; S694-T735 WeakPolarHBondContact O-CA 3.22Å; S694-L736 PolarHBondContact O-N 2.84Å | ||
| 695 | V | 86.4 | Confident | 85 | Confident | 84 Ų | 84 | 45.7 Ų | 45.7 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 125 | 172.8 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | A697 N733 I734 T735 | V695-A697 WeakPolarHBondContact CG1-O 3.48Å; V695-N733 HydrophobicContact CG1-CB 4.14Å; V695-N733 HydrophobicContact CG2-CB 4.25Å; V695-I734 WeakPolarHBondContact CA-O 3.39Å; V695-T735 HydrophobicContact CG2-CG2 3.89Å |
| 696 | V | 86.9 | Confident | 85 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -22.6 | -178.1 | -68.5 | 0 | 0 | 0 | 0 | 113.4 | K684 V686 F725 I734 L736 L771 | K684-V696 WeakPolarHBondContact CB-O 3.5Å; V686-V696 HydrophobicContact CG1-CG1 3.89Å; V686-V696 HydrophobicContact CG2-CB 3.87Å; V686-V696 HydrophobicContact CG2-CG1 4.01Å; V696-F725 HydrophobicContact CG2-CD1 3.98Å; V696-F725 HydrophobicContact CG2-CE1 4.24Å; V696-I734 HydrophobicContact CG2-CG2 4.02Å; V696-I734 VanDerWaalsContact CG2-O 3.28Å; V696-I734 WeakPolarHBondContact CG2-O 3.3Å; V696-I734 PolarHBondContact N-O 3.41Å; V696-L736 HydrophobicContact CG1-CB 4Å; V696-L771 HydrophobicContact CG2-CD1 4.04Å |
| 697 | A | 86.5 | Confident | 84.9 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 163.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K684 V695 I734 V769 L771 | K684-A697 HydrophobicContact CG-CB 4.01Å; V695-A697 WeakPolarHBondContact CG1-O 3.48Å; A697-I734 HydrophobicContact CB-CB 4.29Å; A697-I734 HydrophobicContact CB-CD1 4.2Å; A697-I734 PolarHBondContact N-O 2.93Å; A697-I734 PolarHBondContact O-N 2.87Å; A697-V769 HydrophobicContact CB-CG1 3.9Å; A697-L771 HydrophobicContact CB-CD2 3.69Å |
| 698 | E | 87.4 | Confident | 85 | Confident | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 146.9 | 175.4 | 68.4 | -127.2 | 118.2 | 0 | 0 | 109.6 | K684 | K684-E698 WeakPolarHBondContact CE-OE1 3.14Å; K684-E698 IonicContact NZ-OE1 2.76Å; K684-E698 PolarHBondContact NZ-OE1 3.19Å |
| 699 | V | 88.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | trans | -129.6 | 129.1 | 171.6 | -175.4 | 0 | 0 | 0 | 0 | 107 | Y676 Y714 I727 G732 I734 V752 I754 V767 V769 | Y676-V699 WeakPolarHBondContact O-CA 3.5Å; V699-Y714 HydrophobicContact CB-CD1 4.23Å; V699-Y714 HydrophobicContact CB-CE1 4.39Å; V699-Y714 HydrophobicContact CG1-CD1 4.01Å; V699-Y714 HydrophobicContact CG1-CE1 4.03Å; V699-I727 HydrophobicContact CG2-CD1 4.37Å; V699-G732 PolarHBondContact N-O 2.68Å; V699-G732 WeakPolarHBondContact O-CA 3.33Å; V699-I734 HydrophobicContact CG2-CD1 3.87Å; V699-I734 HydrophobicContact CG2-CG1 4.48Å; V699-V752 HydrophobicContact CG1-CG1 4.3Å; V699-V752 HydrophobicContact CG2-CG1 4.45Å; V699-V752 HydrophobicContact CG2-CG2 4.37Å; V699-I754 HydrophobicContact CG1-CD1 3.64Å; V699-I754 HydrophobicContact CG1-CG1 4.25Å; V699-V767 HydrophobicContact CG1-CG1 3.8Å; V699-V769 HydrophobicContact CG2-CG2 3.73Å | ||
| 700 | F | 89.1 | Confident | 85.5 | Confident | 103 Ų | 103 | 50.4 Ų | 50.4 | 45% | 0.452 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 133.3 | -177.4 | -179.4 | -111 | 0 | 0 | 0 | 110.7 | I675 Y676 V702 | I675-F700 HydrophobicContact CB-CD1 4.02Å; I675-F700 HydrophobicContact CG1-CD1 4.36Å; I675-F700 HydrophobicContact CG1-CE1 4.47Å; I675-F700 HydrophobicContact CG2-CD1 4.47Å; I675-F700 PolarHBondContact N-O 3.32Å; Y676-F700 HydrophobicContact CD2-CB 4.49Å; Y676-F700 HydrophobicContact CD2-CD1 4.42Å; Y676-F700 PolarHBondContact N-O 2.82Å; Y676-F700 PolarHBondContact O-N 2.79Å; F700-V702 HydrophobicContact CE1-CG1 3.93Å; F700-V702 HydrophobicContact CZ-CG1 3.8Å |
| 701 | A | 88.5 | Confident | 85.8 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.033 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 166.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I673 V674 L712 Y714 I754 | I673-A701 CarbonylContact O-C 3.59Å; I673-A701 WeakPolarHBondContact O-CA 3.01Å; I673-A701 VanDerWaalsContact O-CB 3.26Å; I673-A701 WeakPolarHBondContact O-CB 3.49Å; V674-A701 HydrophobicContact CG2-CB 4.47Å; A701-L712 VanDerWaalsContact C-CD1 3.48Å; A701-L712 HydrophobicContact CB-CD1 3.72Å; A701-L712 WeakPolarHBondContact O-CD1 3.07Å; A701-Y714 PolarHBondContact N-OH 2.64Å; A701-I754 HydrophobicContact CB-CD1 4.17Å; A701-I754 HydrophobicContact CB-CG2 3.96Å |
| 702 | V | 89.1 | Confident | 86.2 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156.5 | 175.5 | -64.4 | 0 | 0 | 0 | 0 | 109.7 | I673 I675 F700 | I673-V702 PolarHBondContact N-O 2.62Å; I673-V702 PolarHBondContact O-N 2.81Å; I675-V702 HydrophobicContact CD1-CG2 4.07Å; I675-V702 HydrophobicContact CG1-CG2 4.1Å; F700-V702 HydrophobicContact CE1-CG1 3.93Å; F700-V702 HydrophobicContact CZ-CG1 3.8Å |
| 703 | D | 88.6 | Confident | 86.5 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 17% | 0.166 | 31% | 0.308 | C | S | . | . | trans | -119.5 | 166.8 | 173.5 | -136.1 | -62.6 | 0 | 0 | 0 | 112.1 | N670 P672 A710 L712 | N670-D703 VanDerWaalsContact CB-OD1 3.23Å; N670-D703 WeakPolarHBondContact CB-OD1 3.37Å; P672-D703 WeakPolarHBondContact CA-OD2 3.32Å; P672-D703 WeakPolarHBondContact CD-OD2 3.5Å; P672-D703 VanDerWaalsContact CG-OD2 3.23Å; P672-D703 WeakPolarHBondContact CG-OD2 3.29Å; D703-A710 HydrophobicContact CB-CB 3.9Å; D703-L712 HydrophobicContact CB-CD2 4.23Å | ||
| 704 | G | 84.3 | Confident | 87 | Confident | 34 Ų | 34 | 48.9 Ų | 48.9 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -92.6 | -31.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 705 | D | 88.3 | Confident | 87.1 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -70.1 | -169.9 | -175.5 | -59.6 | -16.9 | 0 | 0 | 0 | 112.4 | N668 D669 N670 N709 A710 | N668-D705 WeakPolarHBondContact CA-OD2 3.47Å; D669-D705 PolarHBondContact N-OD2 3.28Å; N670-D705 VanDerWaalsContact CB-OD1 3.27Å; N670-D705 WeakPolarHBondContact CB-OD1 3.12Å; N670-D705 PolarHBondContact N-OD1 2.82Å; N670-D705 PolarHBondContact N-OD2 2.89Å; N670-D705 PolarHBondContact ND2-OD1 2.98Å; D705-N709 HydrophobicContact CB-CB 3.56Å; D705-A710 HydrophobicContact CB-CB 4.42Å; D705-A710 WeakPolarHBondContact O-CB 3.37Å |
| 706 | T | 83 | Confident | 87.2 | Confident | 68 Ų | 68 | 47 Ų | 47 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | trans | -136.8 | 166.8 | 168.2 | 63.4 | 0 | 0 | 0 | 0 | 116.1 | R634 D666 N709 | R634-T706 VanDerWaalsContact CZ-OG1 3.3Å; R634-T706 PolarHBondContact NH1-OG1 3.38Å; R634-T706 PolarHBondContact NH2-OG1 3.14Å; D666-T706 WeakPolarHBondContact OD1-CA 3.21Å; D666-T706 WeakPolarHBondContact OD1-CB 3.41Å; D666-T706 PolarHBondContact OD1-N 3.06Å; D666-T706 PolarHBondContact OD1-OG1 3.48Å; D666-T706 PolarHBondContact OD2-N 3.27Å; T706-N709 PolarHBondContact O-N 3.41Å | ||
| 707 | G | 84.3 | Confident | 87.1 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 65% | 0.649 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | -134.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N709 A710 E711 | G707-N709 PolarHBondContact O-N 2.82Å; G707-A710 PolarHBondContact O-N 3.33Å; G707-E711 PolarHBondContact O-N 3.5Å |
| 708 | M | 82.3 | Confident | 86.8 | Confident | 133 Ų | 133 | 50.2 Ų | 50.2 | 66% | 0.655 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -23.8 | 179 | -74.6 | 177.5 | 160 | 0 | 0 | 113.2 | A710 E711 L757 | M708-A710 VanDerWaalsContact C-N 3.29Å; M708-A710 PolarHBondContact O-N 3.4Å; M708-E711 PolarHBondContact O-N 2.86Å; M708-L757 CarbonylContact O-C 3.59Å; M708-L757 PolarHBondContact O-N 3.22Å |
| 709 | N | 84.4 | Confident | 86.4 | Confident | 20 Ų | 20 | 47 Ų | 47 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -31.8 | 178.3 | -63.6 | -13.7 | 0 | 0 | 0 | 111.3 | D666 N668 D705 T706 G707 D756 G758 | D666-N709 PolarHBondContact OD2-ND2 3.02Å; N668-N709 HydrophobicContact CB-CB 3.97Å; N668-N709 PolarHBondContact N-ND2 3.06Å; N668-N709 WeakPolarHBondContact OD1-CA 3.43Å; N668-N709 WeakPolarHBondContact OD1-CB 3.36Å; N668-N709 PolarHBondContact OD1-O 2.8Å; N668-N709 VanDerWaalsContact OD1-O 3.14Å; D705-N709 HydrophobicContact CB-CB 3.56Å; T706-N709 PolarHBondContact O-N 3.41Å; G707-N709 PolarHBondContact O-N 2.82Å; N709-D756 WeakPolarHBondContact O-CB 3.18Å; N709-G758 WeakPolarHBondContact OD1-CA 3.38Å |
| 710 | A | 84.7 | Confident | 86.2 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D703 D705 G707 M708 L712 | D703-A710 HydrophobicContact CB-CB 3.9Å; D705-A710 HydrophobicContact CB-CB 4.42Å; D705-A710 WeakPolarHBondContact O-CB 3.37Å; G707-A710 PolarHBondContact O-N 3.33Å; M708-A710 VanDerWaalsContact C-N 3.29Å; M708-A710 PolarHBondContact O-N 3.4Å; A710-L712 PolarHBondContact O-N 3.07Å |
| 711 | E | 88.3 | Confident | 85.6 | Confident | 102 Ų | 102 | 51.1 Ų | 51.1 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | trans | -85.3 | 110.1 | -177.4 | -167.6 | 174.3 | -179.7 | 0 | 0 | 110.5 | G707 M708 D756 L757 | G707-E711 PolarHBondContact O-N 3.5Å; M708-E711 PolarHBondContact O-N 2.86Å; E711-D756 CarbonylContact O-C 3.54Å; E711-D756 VanDerWaalsContact O-C 3.25Å; E711-D756 WeakPolarHBondContact O-CA 3.21Å; E711-L757 HydrophobicContact CB-CB 4.44Å; E711-L757 HydrophobicContact CB-CD1 4.12Å; E711-L757 HydrophobicContact CB-CG 4.48Å; E711-L757 HydrophobicContact CG-CD1 3.85Å; E711-L757 WeakPolarHBondContact O-CG 3.32Å; E711-L757 PolarHBondContact O-N 3.02Å | ||
| 712 | L | 89.3 | Confident | 85 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | trans | -91.6 | 144.5 | -169.3 | -59.9 | -172.5 | 0 | 0 | 0 | 114.6 | P672 A701 D703 A710 Y714 I754 S755 D756 | P672-L712 HydrophobicContact CB-CD1 4.42Å; P672-L712 HydrophobicContact CB-CD2 3.76Å; P672-L712 HydrophobicContact CG-CD2 3.61Å; A701-L712 VanDerWaalsContact C-CD1 3.48Å; A701-L712 HydrophobicContact CB-CD1 3.72Å; A701-L712 WeakPolarHBondContact O-CD1 3.07Å; D703-L712 HydrophobicContact CB-CD2 4.23Å; A710-L712 PolarHBondContact O-N 3.07Å; L712-Y714 HydrophobicContact CB-CE2 4.08Å; L712-I754 HydrophobicContact CD1-CG2 4.43Å; L712-S755 CarbonylContact C-O 3.58Å; L712-S755 WeakPolarHBondContact CA-O 3.26Å; L712-D756 HydrophobicContact CD2-CB 4.31Å | ||
| 713 | K | 90.3 | Very high | 84.6 | Confident | 97 Ų | 97 | 55.5 Ų | 55.5 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.8 | -177.8 | -178.3 | 176.7 | 175.2 | -176.8 | 0 | 112.3 | P729 I754 S755 L757 | K713-P729 WeakPolarHBondContact CA-O 3.39Å; K713-I754 WeakPolarHBondContact O-CA 3.36Å; K713-S755 PolarHBondContact N-O 3.39Å; K713-S755 PolarHBondContact O-N 3.3Å; K713-L757 HydrophobicContact CB-CD2 4.25Å; K713-L757 HydrophobicContact CD-CD2 3.88Å |
| 714 | Y | 90.4 | Very high | 84.3 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135 | -172.8 | -60 | -100.1 | 0 | 0 | 0 | 111.9 | V699 A701 L712 P729 I754 | V699-Y714 HydrophobicContact CB-CD1 4.23Å; V699-Y714 HydrophobicContact CB-CE1 4.39Å; V699-Y714 HydrophobicContact CG1-CD1 4.01Å; V699-Y714 HydrophobicContact CG1-CE1 4.03Å; A701-Y714 PolarHBondContact N-OH 2.64Å; L712-Y714 HydrophobicContact CB-CE2 4.08Å; Y714-P729 PolarHBondContact N-O 3.01Å; Y714-P729 VanDerWaalsContact O-CA 3.28Å; Y714-P729 WeakPolarHBondContact O-CA 3.45Å; Y714-I754 HydrophobicContact CD1-CD1 4.34Å; Y714-I754 HydrophobicContact CD1-CG1 3.77Å; Y714-I754 HydrophobicContact CD1-CG2 4.2Å; Y714-I754 HydrophobicContact CE1-CD1 4.15Å; Y714-I754 HydrophobicContact CE1-CG1 3.98Å; Y714-I754 HydrophobicContact CE1-CG2 3.94Å |
| 715 | T | 89.6 | Confident | 84.5 | Confident | 46 Ų | 46 | 53 Ų | 53 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 136.9 | -179.7 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | V752 N753 | T715-V752 CarbonylContact O-C 3.5Å; T715-V752 VanDerWaalsContact O-CA 3.28Å; T715-V752 WeakPolarHBondContact O-CA 3.49Å; T715-N753 PolarHBondContact N-O 2.92Å; T715-N753 PolarHBondContact O-N 3.16Å; T715-N753 PolarHBondContact OG1-O 2.81Å; T715-N753 VanDerWaalsContact OG1-O 3.12Å |
| 716 | I | 87.3 | Confident | 84.5 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 20% | 0.2 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 117.2 | 168.9 | -64.8 | 160.6 | 0 | 0 | 0 | 107.8 | N720 F725 I727 I734 L750 V752 | I716-N720 HydrophobicContact CG2-CB 3.89Å; I716-F725 HydrophobicContact CD1-CB 4.43Å; I716-I727 HydrophobicContact CB-CG2 4.49Å; I716-I727 HydrophobicContact CD1-CB 3.85Å; I716-I727 HydrophobicContact CD1-CG2 4.16Å; I716-I727 HydrophobicContact CG1-CB 3.9Å; I716-I727 HydrophobicContact CG1-CG2 3.84Å; I716-I734 HydrophobicContact CD1-CG2 4.49Å; I716-L750 HydrophobicContact CD1-CD1 4.13Å; I716-L750 HydrophobicContact CG2-CD2 4.3Å; I716-V752 HydrophobicContact CG1-CG2 4.04Å |
| 717 | V | 85.3 | Confident | 84.8 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -19.3 | -177.8 | -63.9 | 0 | 0 | 0 | 0 | 113.6 | V751 N753 L766 I799 | V717-V751 HydrophobicContact CG2-CB 3.98Å; V717-V751 HydrophobicContact CG2-CG1 3.75Å; V717-V751 WeakPolarHBondContact CG2-O 3.29Å; V717-V751 PolarHBondContact N-O 2.93Å; V717-N753 HydrophobicContact CG1-CB 3.56Å; V717-N753 HydrophobicContact CG2-CB 4.23Å; V717-L766 HydrophobicContact CG2-CD2 4.39Å; V717-I799 HydrophobicContact CB-CG2 4.25Å |
| 718 | S | 80.4 | Confident | 85.1 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 164.6 | 176.2 | -162.7 | 0 | 0 | 0 | 0 | 112.8 | N720 V751 | S718-N720 PolarHBondContact O-N 2.8Å; S718-V751 PolarHBondContact N-O 2.94Å; S718-V751 PolarHBondContact O-N 2.94Å |
| 719 | G | 78.7 | Confident | 85.3 | Confident | 21 Ų | 21 | 51.9 Ų | 51.9 | 22% | 0.216 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 90.6 | -17.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | N721 R749 | G719-N721 VanDerWaalsContact C-N 3.26Å; G719-N721 PolarHBondContact O-N 2.88Å; G719-R749 VanDerWaalsContact CA-O 3.32Å; G719-R749 WeakPolarHBondContact CA-O 3.22Å |
| 720 | N | 84.4 | Confident | 85.5 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | trans | -89.2 | 40.5 | -179.5 | -170.5 | 37.6 | 0 | 0 | 0 | 113.1 | I716 S718 K722 G723 L724 F725 L750 | I716-N720 HydrophobicContact CG2-CB 3.89Å; S718-N720 PolarHBondContact O-N 2.8Å; N720-K722 PolarHBondContact O-N 2.64Å; N720-G723 PolarHBondContact O-N 2.81Å; N720-L724 PolarHBondContact OD1-N 2.84Å; N720-F725 PolarHBondContact ND2-O 2.7Å; N720-F725 PolarHBondContact OD1-N 2.94Å; N720-F725 PolarHBondContact OD1-O 2.7Å; N720-L750 HydrophobicContact CB-CD2 3.92Å | ||
| 721 | N | 76.1 | Confident | 85.5 | Confident | 149 Ų | 149 | 58 Ų | 58 | 80% | 0.797 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10.6 | -166.6 | -60.2 | 34.7 | 0 | 0 | 0 | 114.5 | G719 | G719-N721 VanDerWaalsContact C-N 3.26Å; G719-N721 PolarHBondContact O-N 2.88Å |
| 722 | K | 76.1 | Confident | 85.4 | Confident | 121 Ų | 121 | 53.1 Ų | 53.1 | 53% | 0.526 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -3.4 | 175.2 | -71.5 | -179.6 | 172.3 | 177.6 | 0 | 114.1 | N720 L724 T743 D744 | N720-K722 PolarHBondContact O-N 2.64Å; K722-L724 HydrophobicContact CB-CD1 3.94Å; K722-L724 HydrophobicContact CB-CG 3.87Å; K722-L724 HydrophobicContact CD-CD1 3.92Å; K722-L724 PolarHBondContact O-N 2.95Å; K722-T743 PolarHBondContact NZ-O 2.85Å; K722-D744 VanDerWaalsContact CD-OD1 3.31Å; K722-D744 WeakPolarHBondContact CD-OD1 3.38Å; K722-D744 WeakPolarHBondContact CE-OD1 3.48Å; K722-D744 IonicContact NZ-OD1 2.63Å; K722-D744 PolarHBondContact NZ-OD1 2.78Å |
| 723 | G | 80.2 | Confident | 85.5 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 72.3 | 8.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N720 F725 | N720-G723 PolarHBondContact O-N 2.81Å; G723-F725 PolarHBondContact O-N 2.88Å |
| 724 | L | 83.2 | Confident | 85.4 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | trans | -60 | -26.7 | -175.5 | -72.5 | 166 | 0 | 0 | 0 | 114 | N720 K722 E737 D744 | N720-L724 PolarHBondContact OD1-N 2.84Å; K722-L724 HydrophobicContact CB-CD1 3.94Å; K722-L724 HydrophobicContact CB-CG 3.87Å; K722-L724 HydrophobicContact CD-CD1 3.92Å; K722-L724 PolarHBondContact O-N 2.95Å; L724-E737 PolarHBondContact O-N 2.86Å; L724-D744 HydrophobicContact CD1-CB 3.95Å | ||
| 725 | F | 87.6 | Confident | 85.3 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 152.6 | -176 | -51.2 | -73.3 | 0 | 0 | 0 | 111.5 | V696 I716 N720 G723 I734 T735 L736 H748 L750 L771 V773 | V696-F725 HydrophobicContact CG2-CD1 3.98Å; V696-F725 HydrophobicContact CG2-CE1 4.24Å; I716-F725 HydrophobicContact CD1-CB 4.43Å; N720-F725 PolarHBondContact ND2-O 2.7Å; N720-F725 PolarHBondContact OD1-N 2.94Å; N720-F725 PolarHBondContact OD1-O 2.7Å; G723-F725 PolarHBondContact O-N 2.88Å; F725-I734 HydrophobicContact CB-CG2 4.02Å; F725-T735 CarbonylContact C-O 3.45Å; F725-T735 WeakPolarHBondContact CA-O 3.23Å; F725-L736 HydrophobicContact CD1-CD1 4.29Å; F725-L736 HydrophobicContact CE1-CD1 4.04Å; F725-H748 HydrophobicContact CE2-CB 3.9Å; F725-H748 AromaticContact CE2-CG 3.81Å; F725-H748 AromaticContact CE2-ND1 3.81Å; F725-H748 HydrophobicContact CZ-CB 4.41Å; F725-L750 HydrophobicContact CB-CD1 4.07Å; F725-L750 HydrophobicContact CD2-CD1 4.15Å; F725-L750 HydrophobicContact CD2-CD2 4.01Å; F725-L750 HydrophobicContact CD2-CG 4.47Å; F725-L750 HydrophobicContact CG-CD1 4.13Å; F725-L771 HydrophobicContact CD1-CD1 3.49Å; F725-L771 VanDerWaalsContact CD1-CD1 3.49Å; F725-L771 HydrophobicContact CD2-CD1 4.16Å; F725-L771 HydrophobicContact CE1-CB 4.47Å; F725-L771 HydrophobicContact CE1-CD1 3.39Å; F725-L771 HydrophobicContact CE2-CD1 4.07Å; F725-L771 HydrophobicContact CG-CD1 3.87Å; F725-L771 HydrophobicContact CZ-CB 4.18Å; F725-L771 HydrophobicContact CZ-CD1 3.7Å; F725-V773 HydrophobicContact CZ-CG2 4.09Å |
| 726 | R | 88.1 | Confident | 85.2 | Confident | 123 Ų | 123 | 48.2 Ų | 48.2 | 46% | 0.464 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 139.1 | 175.9 | 179.7 | 178.4 | 175.2 | -76 | -4.5 | 108.4 | I734 T735 E737 | R726-I734 CarbonylContact O-C 3.56Å; R726-I734 VanDerWaalsContact O-CA 3.3Å; R726-I734 WeakPolarHBondContact O-CA 3.19Å; R726-T735 PolarHBondContact N-O 3.46Å; R726-T735 PolarHBondContact O-N 2.9Å; R726-T735 PolarHBondContact O-OG1 2.71Å; R726-E737 VanDerWaalsContact CB-OE2 3.24Å; R726-E737 WeakPolarHBondContact CB-OE2 3.31Å; R726-E737 WeakPolarHBondContact CD-OE1 3.35Å; R726-E737 WeakPolarHBondContact CD-OE2 3.49Å |
| 727 | I | 90.6 | Very high | 85.1 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 9% | 0.087 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 140.6 | 173.1 | -161.9 | 165 | 0 | 0 | 0 | 110.2 | V699 I716 N733 I734 V752 | V699-I727 HydrophobicContact CG2-CD1 4.37Å; I716-I727 HydrophobicContact CB-CG2 4.49Å; I716-I727 HydrophobicContact CD1-CB 3.85Å; I716-I727 HydrophobicContact CD1-CG2 4.16Å; I716-I727 HydrophobicContact CG1-CB 3.9Å; I716-I727 HydrophobicContact CG1-CG2 3.84Å; I727-N733 CarbonylContact C-O 3.56Å; I727-N733 WeakPolarHBondContact CA-O 3.38Å; I727-I734 HydrophobicContact CB-CG1 4.17Å; I727-I734 HydrophobicContact CD1-CD1 4.33Å; I727-I734 HydrophobicContact CD1-CG1 3.78Å; I727-I734 HydrophobicContact CG1-CG1 3.82Å; I727-V752 HydrophobicContact CD1-CG1 3.66Å; I727-V752 HydrophobicContact CD1-CG2 4.11Å |
| 728 | D | 89.1 | Confident | 84.9 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -72 | 121.7 | 165.4 | -178.3 | -31.1 | 0 | 0 | 0 | 109.1 | V730 T731 G732 N733 | D728-V730 PolarHBondContact O-N 3.45Å; D728-V730 PolarHBondContact OD1-N 3.17Å; D728-T731 VanDerWaalsContact CB-OG1 3.28Å; D728-T731 WeakPolarHBondContact CB-OG1 3.39Å; D728-T731 PolarHBondContact OD1-N 2.61Å; D728-T731 WeakPolarHBondContact OD2-CG2 3.3Å; D728-T731 PolarHBondContact OD2-OG1 3.13Å; D728-G732 PolarHBondContact O-N 2.8Å; D728-N733 HydrophobicContact CB-CB 4.5Å; D728-N733 PolarHBondContact N-O 3.07Å | ||
| 729 | P | 88.1 | Confident | 84.9 | Confident | 57 Ų | 57 | 59.2 Ų | 59.2 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -12 | -175.2 | 30.4 | -36.1 | 0 | 0 | 0 | 114.7 | K713 Y714 | K713-P729 WeakPolarHBondContact CA-O 3.39Å; Y714-P729 PolarHBondContact N-O 3.01Å; Y714-P729 VanDerWaalsContact O-CA 3.28Å; Y714-P729 WeakPolarHBondContact O-CA 3.45Å |
| 730 | V | 87.3 | Confident | 85 | Confident | 109 Ų | 109 | 58.6 Ų | 58.6 | 66% | 0.661 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -43 | 178 | -177.5 | 0 | 0 | 0 | 0 | 111 | D728 | D728-V730 PolarHBondContact O-N 3.45Å; D728-V730 PolarHBondContact OD1-N 3.17Å |
| 731 | T | 86 | Confident | 84.8 | Confident | 70 Ų | 70 | 58.6 Ų | 58.6 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -6.6 | -175 | 75.3 | 0 | 0 | 0 | 0 | 114.8 | D728 N733 | D728-T731 VanDerWaalsContact CB-OG1 3.28Å; D728-T731 WeakPolarHBondContact CB-OG1 3.39Å; D728-T731 PolarHBondContact OD1-N 2.61Å; D728-T731 WeakPolarHBondContact OD2-CG2 3.3Å; D728-T731 PolarHBondContact OD2-OG1 3.13Å; T731-N733 WeakPolarHBondContact CB-ND2 3.17Å; T731-N733 PolarHBondContact O-N 2.94Å; T731-N733 PolarHBondContact O-ND2 3.01Å; T731-N733 PolarHBondContact OG1-ND2 2.84Å |
| 732 | G | 86.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | 65.9 | 3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V699 D728 | V699-G732 PolarHBondContact N-O 2.68Å; V699-G732 WeakPolarHBondContact O-CA 3.33Å; D728-G732 PolarHBondContact O-N 2.8Å | ||
| 733 | N | 90 | Very high | 84.8 | Confident | 50 Ų | 50 | 58 Ų | 58 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 128.1 | 177.2 | -74.7 | -67.1 | 0 | 0 | 0 | 111 | V695 I727 D728 T731 | V695-N733 HydrophobicContact CG1-CB 4.14Å; V695-N733 HydrophobicContact CG2-CB 4.25Å; I727-N733 CarbonylContact C-O 3.56Å; I727-N733 WeakPolarHBondContact CA-O 3.38Å; D728-N733 HydrophobicContact CB-CB 4.5Å; D728-N733 PolarHBondContact N-O 3.07Å; T731-N733 WeakPolarHBondContact CB-ND2 3.17Å; T731-N733 PolarHBondContact O-N 2.94Å; T731-N733 PolarHBondContact O-ND2 3.01Å; T731-N733 PolarHBondContact OG1-ND2 2.84Å |
| 734 | I | 88.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 110.5 | 175.1 | -60.4 | 167.6 | 0 | 0 | 0 | 108.1 | V695 V696 A697 V699 I716 F725 R726 I727 L750 V752 V769 L771 | V695-I734 WeakPolarHBondContact CA-O 3.39Å; V696-I734 HydrophobicContact CG2-CG2 4.02Å; V696-I734 VanDerWaalsContact CG2-O 3.28Å; V696-I734 WeakPolarHBondContact CG2-O 3.3Å; V696-I734 PolarHBondContact N-O 3.41Å; A697-I734 HydrophobicContact CB-CB 4.29Å; A697-I734 HydrophobicContact CB-CD1 4.2Å; A697-I734 PolarHBondContact N-O 2.93Å; A697-I734 PolarHBondContact O-N 2.87Å; V699-I734 HydrophobicContact CG2-CD1 3.87Å; V699-I734 HydrophobicContact CG2-CG1 4.48Å; I716-I734 HydrophobicContact CD1-CG2 4.49Å; F725-I734 HydrophobicContact CB-CG2 4.02Å; R726-I734 CarbonylContact O-C 3.56Å; R726-I734 VanDerWaalsContact O-CA 3.3Å; R726-I734 WeakPolarHBondContact O-CA 3.19Å; I727-I734 HydrophobicContact CB-CG1 4.17Å; I727-I734 HydrophobicContact CD1-CD1 4.33Å; I727-I734 HydrophobicContact CD1-CG1 3.78Å; I727-I734 HydrophobicContact CG1-CG1 3.82Å; I734-L750 HydrophobicContact CD1-CD1 4.24Å; I734-L750 HydrophobicContact CG2-CD1 4.1Å; I734-V752 HydrophobicContact CD1-CG2 4.2Å; I734-V769 HydrophobicContact CD1-CB 4.21Å; I734-V769 HydrophobicContact CD1-CG1 3.94Å; I734-V769 HydrophobicContact CD1-CG2 4.1Å; I734-L771 HydrophobicContact CG2-CD1 4.33Å |
| 735 | T | 89 | Confident | 84.7 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 156.3 | 173.3 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | S694 V695 F725 R726 | S694-T735 CarbonylContact O-C 3.54Å; S694-T735 VanDerWaalsContact O-CA 3.26Å; S694-T735 WeakPolarHBondContact O-CA 3.22Å; V695-T735 HydrophobicContact CG2-CG2 3.89Å; F725-T735 CarbonylContact C-O 3.45Å; F725-T735 WeakPolarHBondContact CA-O 3.23Å; R726-T735 PolarHBondContact N-O 3.46Å; R726-T735 PolarHBondContact O-N 2.9Å; R726-T735 PolarHBondContact O-OG1 2.71Å |
| 736 | L | 87.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123.8 | 171.1 | -179.6 | 72 | 0 | 0 | 0 | 110 | V686 S690 P692 G693 S694 V696 F725 E738 P740 | V686-L736 HydrophobicContact CG1-CD1 4.49Å; S690-L736 VanDerWaalsContact CB-CD2 3.47Å; P692-L736 CarbonylContact C-O 3.46Å; P692-L736 WeakPolarHBondContact CA-O 3.09Å; G693-L736 PolarHBondContact N-O 2.98Å; S694-L736 PolarHBondContact O-N 2.84Å; V696-L736 HydrophobicContact CG1-CB 4Å; F725-L736 HydrophobicContact CD1-CD1 4.29Å; F725-L736 HydrophobicContact CE1-CD1 4.04Å; L736-E738 WeakPolarHBondContact CD1-O 3.48Å; L736-E738 WeakPolarHBondContact CG-O 3.1Å; L736-P740 HydrophobicContact CD1-CG 4.1Å; L736-P740 HydrophobicContact CD2-CG 4.29Å |
| 737 | E | 84.8 | Confident | 84.2 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | trans | -89.4 | -42 | -174.3 | -156.1 | 76.3 | 171.6 | 0 | 0 | 112.5 | L724 R726 | L724-E737 PolarHBondContact O-N 2.86Å; R726-E737 VanDerWaalsContact CB-OE2 3.24Å; R726-E737 WeakPolarHBondContact CB-OE2 3.31Å; R726-E737 WeakPolarHBondContact CD-OE1 3.35Å; R726-E737 WeakPolarHBondContact CD-OE2 3.49Å | ||
| 738 | E | 81.1 | Confident | 84 | Confident | 132 Ų | 132 | 57.2 Ų | 57.2 | 62% | 0.617 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -122.6 | 158.2 | 176.7 | -67.9 | -163.2 | 164.5 | 0 | 0 | 111.7 | L736 | L736-E738 WeakPolarHBondContact CD1-O 3.48Å; L736-E738 WeakPolarHBondContact CG-O 3.1Å |
| 739 | K | 80.1 | Confident | 83.8 | Confident | 131 Ų | 131 | 57.1 Ų | 57.1 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 128.8 | 178.4 | -174.1 | 177.6 | -179.5 | -179.1 | 0 | 109.7 | L688 P692 A741 | L688-K739 WeakPolarHBondContact O-CE 3.22Å; P692-K739 HydrophobicContact CG-CB 4.25Å; K739-A741 PolarHBondContact O-N 3.44Å |
| 740 | P | 81.8 | Confident | 83.7 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 131.3 | -175.4 | -17.3 | 30.5 | 0 | 0 | 0 | 111.2 | L688 L736 D744 V773 | L688-P740 HydrophobicContact CD2-CB 4.23Å; L736-P740 HydrophobicContact CD1-CG 4.1Å; L736-P740 HydrophobicContact CD2-CG 4.29Å; P740-D744 HydrophobicContact CB-CB 4.46Å; P740-V773 HydrophobicContact CB-CG1 3.73Å; P740-V773 HydrophobicContact CG-CG1 4.27Å |
| 741 | A | 79.1 | Confident | 83.7 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 168.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K739 T743 D744 | K739-A741 PolarHBondContact O-N 3.44Å; A741-T743 WeakPolarHBondContact CB-OG1 3.17Å; A741-T743 PolarHBondContact O-N 2.97Å; A741-T743 VanDerWaalsContact O-N 3.12Å; A741-D744 WeakPolarHBondContact CA-OD2 3.25Å; A741-D744 WeakPolarHBondContact CB-OD2 3.36Å; A741-D744 PolarHBondContact N-OD2 3.23Å; A741-D744 WeakPolarHBondContact O-CB 3.2Å; A741-D744 PolarHBondContact O-N 2.64Å |
| 742 | I | 75.1 | Confident | 83.8 | Confident | 145 Ų | 145 | 46 Ų | 46 | 74% | 0.744 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -59.5 | -25.7 | 175.9 | -58.5 | 174.3 | 0 | 0 | 0 | 111 | D744 I745 | I742-D744 PolarHBondContact O-N 3.03Å; I742-I745 HydrophobicContact CB-CD1 4.45Å; I742-I745 HydrophobicContact CG2-CD1 4.02Å; I742-I745 WeakPolarHBondContact O-CG1 3.38Å |
| 743 | T | 77 | Confident | 83.9 | Confident | 113 Ų | 113 | 47.3 Ų | 47.3 | 69% | 0.693 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -74 | -4 | 173.8 | 46.3 | 0 | 0 | 0 | 0 | 115.1 | K722 A741 | K722-T743 PolarHBondContact NZ-O 2.85Å; A741-T743 WeakPolarHBondContact CB-OG1 3.17Å; A741-T743 PolarHBondContact O-N 2.97Å; A741-T743 VanDerWaalsContact O-N 3.12Å |
| 744 | D | 80.6 | Confident | 83.9 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -110.7 | -1.5 | -178.7 | -51 | -46.2 | 0 | 0 | 0 | 112.7 | K722 L724 P740 A741 I742 G746 H748 V773 | K722-D744 VanDerWaalsContact CD-OD1 3.31Å; K722-D744 WeakPolarHBondContact CD-OD1 3.38Å; K722-D744 WeakPolarHBondContact CE-OD1 3.48Å; K722-D744 IonicContact NZ-OD1 2.63Å; K722-D744 PolarHBondContact NZ-OD1 2.78Å; L724-D744 HydrophobicContact CD1-CB 3.95Å; P740-D744 HydrophobicContact CB-CB 4.46Å; A741-D744 WeakPolarHBondContact CA-OD2 3.25Å; A741-D744 WeakPolarHBondContact CB-OD2 3.36Å; A741-D744 PolarHBondContact N-OD2 3.23Å; A741-D744 WeakPolarHBondContact O-CB 3.2Å; A741-D744 PolarHBondContact O-N 2.64Å; I742-D744 PolarHBondContact O-N 3.03Å; D744-G746 PolarHBondContact O-N 2.89Å; D744-H748 PolarHBondContact O-NE2 3.17Å; D744-V773 WeakPolarHBondContact O-CB 3.33Å |
| 745 | I | 81.4 | Confident | 83.9 | Confident | 70 Ų | 70 | 45.8 Ų | 45.8 | 36% | 0.359 | 24% | 0.243 | S | C | . | . | trans | -62.1 | 123.8 | 176.3 | -63 | 175.5 | 0 | 0 | 0 | 109.8 | L688 I742 V773 N774 | L688-I745 HydrophobicContact CD1-CD1 3.83Å; L688-I745 HydrophobicContact CD1-CG1 4.02Å; L688-I745 HydrophobicContact CD2-CD1 4.13Å; L688-I745 HydrophobicContact CD2-CG1 3.81Å; L688-I745 HydrophobicContact CG-CG1 4.37Å; I742-I745 HydrophobicContact CB-CD1 4.45Å; I742-I745 HydrophobicContact CG2-CD1 4.02Å; I742-I745 WeakPolarHBondContact O-CG1 3.38Å; I745-V773 VanDerWaalsContact CA-O 3.3Å; I745-V773 WeakPolarHBondContact CA-O 3.43Å; I745-N774 HydrophobicContact CG2-CB 4.39Å | ||
| 746 | G | 81.6 | Confident | 83.9 | Confident | 22 Ų | 22 | 44.7 Ų | 44.7 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.8 | -170.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D744 Y772 V773 | D744-G746 PolarHBondContact O-N 2.89Å; G746-Y772 WeakPolarHBondContact O-CA 3.32Å; G746-V773 PolarHBondContact N-O 2.95Å; G746-V773 VanDerWaalsContact N-O 3.08Å; G746-V773 PolarHBondContact O-N 3.24Å |
| 747 | L | 84.3 | Confident | 83.8 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 18% | 0.183 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.3 | 177.7 | -176 | 70 | 0 | 0 | 0 | 110.4 | F770 Y772 I783 L786 I787 | L747-F770 HydrophobicContact CD1-CB 4.12Å; L747-F770 HydrophobicContact CD1-CD1 4.03Å; L747-F770 HydrophobicContact CD2-CD1 3.98Å; L747-F770 HydrophobicContact CD2-CE1 4.34Å; L747-F770 HydrophobicContact CG-CD1 4.08Å; L747-Y772 HydrophobicContact CB-CD2 4.19Å; L747-Y772 HydrophobicContact CD1-CD2 4.3Å; L747-I783 HydrophobicContact CD1-CG2 4.27Å; L747-L786 HydrophobicContact CD2-CB 3.83Å; L747-I787 HydrophobicContact CD1-CG1 4Å; L747-I787 HydrophobicContact CD2-CB 4.31Å; L747-I787 HydrophobicContact CD2-CG1 3.6Å; L747-I787 HydrophobicContact CG-CG1 4.45Å |
| 748 | H | 84.4 | Confident | 83.6 | Confident | 31 Ų | 31 | 44.3 Ų | 44.3 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.6 | 172.5 | -60.5 | -107.3 | 0 | 0 | 0 | 108.8 | F725 D744 F770 L771 | F725-H748 HydrophobicContact CE2-CB 3.9Å; F725-H748 AromaticContact CE2-CG 3.81Å; F725-H748 AromaticContact CE2-ND1 3.81Å; F725-H748 HydrophobicContact CZ-CB 4.41Å; D744-H748 PolarHBondContact O-NE2 3.17Å; H748-F770 WeakPolarHBondContact O-CA 3.27Å; H748-L771 HydrophobicContact CB-CB 4.43Å; H748-L771 PolarHBondContact N-O 3.3Å; H748-L771 PolarHBondContact O-N 3.25Å |
| 749 | R | 85.8 | Confident | 83.1 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 18% | 0.181 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 92.1 | 179 | 178.2 | -171.8 | 76.7 | 174.9 | 5.5 | 108.9 | G719 F770 T790 T793 | G719-R749 VanDerWaalsContact CA-O 3.32Å; G719-R749 WeakPolarHBondContact CA-O 3.22Å; R749-F770 HydrophobicContact CB-CD1 4.07Å; R749-F770 HydrophobicContact CB-CE1 3.75Å; R749-F770 HydrophobicContact CB-CZ 4.45Å; R749-F770 HydrophobicContact CG-CD1 4.22Å; R749-F770 HydrophobicContact CG-CE1 3.56Å; R749-F770 HydrophobicContact CG-CZ 3.76Å; R749-T790 WeakPolarHBondContact CD-O 3.31Å; R749-T790 PolarHBondContact NH1-O 3.4Å; R749-T793 PolarHBondContact NH1-O 2.8Å; R749-T793 PolarHBondContact NH1-OG1 2.77Å |
| 750 | L | 86.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 140.5 | 173.7 | -58.9 | -176.1 | 0 | 0 | 0 | 110.2 | I716 N720 F725 I734 V769 L771 | I716-L750 HydrophobicContact CD1-CD1 4.13Å; I716-L750 HydrophobicContact CG2-CD2 4.3Å; N720-L750 HydrophobicContact CB-CD2 3.92Å; F725-L750 HydrophobicContact CB-CD1 4.07Å; F725-L750 HydrophobicContact CD2-CD1 4.15Å; F725-L750 HydrophobicContact CD2-CD2 4.01Å; F725-L750 HydrophobicContact CD2-CG 4.47Å; F725-L750 HydrophobicContact CG-CD1 4.13Å; I734-L750 HydrophobicContact CD1-CD1 4.24Å; I734-L750 HydrophobicContact CG2-CD1 4.1Å; L750-V769 HydrophobicContact CB-CB 4.31Å; L750-V769 WeakPolarHBondContact CB-O 3.34Å; L750-V769 PolarHBondContact N-O 3Å; L750-V769 PolarHBondContact O-N 3.32Å; L750-L771 HydrophobicContact CD1-CD1 3.63Å; L750-L771 HydrophobicContact CD1-CG 4.35Å; L750-L771 HydrophobicContact CG-CD1 4.35Å |
| 751 | V | 86.4 | Confident | 82.3 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.2 | 167.2 | -170.7 | 0 | 0 | 0 | 0 | 107 | V717 S718 L768 | V717-V751 HydrophobicContact CG2-CB 3.98Å; V717-V751 HydrophobicContact CG2-CG1 3.75Å; V717-V751 WeakPolarHBondContact CG2-O 3.29Å; V717-V751 PolarHBondContact N-O 2.93Å; S718-V751 PolarHBondContact N-O 2.94Å; S718-V751 PolarHBondContact O-N 2.94Å; V751-L768 HydrophobicContact CB-CD2 4.41Å; V751-L768 HydrophobicContact CG1-CD2 4.34Å; V751-L768 HydrophobicContact CG2-CD2 3.82Å |
| 752 | V | 87.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.2 | 178.3 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | V699 T715 I716 I727 I734 I754 L766 V767 V769 | V699-V752 HydrophobicContact CG1-CG1 4.3Å; V699-V752 HydrophobicContact CG2-CG1 4.45Å; V699-V752 HydrophobicContact CG2-CG2 4.37Å; T715-V752 CarbonylContact O-C 3.5Å; T715-V752 VanDerWaalsContact O-CA 3.28Å; T715-V752 WeakPolarHBondContact O-CA 3.49Å; I716-V752 HydrophobicContact CG1-CG2 4.04Å; I727-V752 HydrophobicContact CD1-CG1 3.66Å; I727-V752 HydrophobicContact CD1-CG2 4.11Å; I734-V752 HydrophobicContact CD1-CG2 4.2Å; V752-I754 HydrophobicContact CG1-CG1 4.19Å; V752-L766 WeakPolarHBondContact O-CA 3.33Å; V752-V767 HydrophobicContact CB-CG1 3.85Å; V752-V767 HydrophobicContact CG1-CG1 4.33Å; V752-V767 PolarHBondContact N-O 2.69Å; V752-V767 PolarHBondContact O-N 3.4Å; V752-V769 HydrophobicContact CG2-CG2 4.04Å |
| 753 | N | 88.7 | Confident | 83 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.6 | 169.6 | -179.6 | 57.6 | 0 | 0 | 0 | 109.6 | T715 V717 H764 L766 | T715-N753 PolarHBondContact N-O 2.92Å; T715-N753 PolarHBondContact O-N 3.16Å; T715-N753 PolarHBondContact OG1-O 2.81Å; T715-N753 VanDerWaalsContact OG1-O 3.12Å; V717-N753 HydrophobicContact CG1-CB 3.56Å; V717-N753 HydrophobicContact CG2-CB 4.23Å; N753-H764 WeakPolarHBondContact OD1-CB 3.49Å; N753-H764 PolarHBondContact OD1-CD2 2.94Å; N753-L766 HydrophobicContact CB-CD2 3.61Å; N753-L766 WeakPolarHBondContact OD1-CD2 3.29Å |
| 754 | I | 90.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 109.2 | 178.3 | -53.8 | 162.4 | 0 | 0 | 0 | 105.5 | P672 V674 V699 A701 L712 K713 Y714 V752 H764 T765 V767 | P672-I754 HydrophobicContact CB-CG2 4.06Å; V674-I754 HydrophobicContact CB-CD1 4.46Å; V674-I754 HydrophobicContact CG1-CD1 4.15Å; V674-I754 HydrophobicContact CG2-CD1 3.54Å; V699-I754 HydrophobicContact CG1-CD1 3.64Å; V699-I754 HydrophobicContact CG1-CG1 4.25Å; A701-I754 HydrophobicContact CB-CD1 4.17Å; A701-I754 HydrophobicContact CB-CG2 3.96Å; L712-I754 HydrophobicContact CD1-CG2 4.43Å; K713-I754 WeakPolarHBondContact O-CA 3.36Å; Y714-I754 HydrophobicContact CD1-CD1 4.34Å; Y714-I754 HydrophobicContact CD1-CG1 3.77Å; Y714-I754 HydrophobicContact CD1-CG2 4.2Å; Y714-I754 HydrophobicContact CE1-CD1 4.15Å; Y714-I754 HydrophobicContact CE1-CG1 3.98Å; Y714-I754 HydrophobicContact CE1-CG2 3.94Å; V752-I754 HydrophobicContact CG1-CG1 4.19Å; I754-H764 CarbonylContact O-C 3.43Å; I754-H764 WeakPolarHBondContact O-CA 3.34Å; I754-H764 VanDerWaalsContact O-CB 3.32Å; I754-H764 WeakPolarHBondContact O-CB 3.03Å; I754-T765 PolarHBondContact N-O 3.43Å; I754-T765 PolarHBondContact O-N 2.74Å; I754-V767 HydrophobicContact CD1-CG1 3.92Å |
| 755 | S | 88.9 | Confident | 83.7 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 157.4 | 173.7 | 75.3 | 0 | 0 | 0 | 0 | 110.4 | L712 K713 L763 | L712-S755 CarbonylContact C-O 3.58Å; L712-S755 WeakPolarHBondContact CA-O 3.26Å; K713-S755 PolarHBondContact N-O 3.39Å; K713-S755 PolarHBondContact O-N 3.3Å; S755-L763 VanDerWaalsContact CA-O 3.3Å; S755-L763 WeakPolarHBondContact CA-O 3.4Å |
| 756 | D | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -70.4 | -167.7 | 157.7 | 61.2 | 43.2 | 0 | 0 | 0 | 111.4 | N668 P672 N709 E711 L712 G758 S762 L763 | N668-D756 PolarHBondContact ND2-OD2 3.11Å; N668-D756 PolarHBondContact OD1-OD2 2.96Å; P672-D756 HydrophobicContact CG-CB 4.33Å; N709-D756 WeakPolarHBondContact O-CB 3.18Å; E711-D756 CarbonylContact O-C 3.54Å; E711-D756 VanDerWaalsContact O-C 3.25Å; E711-D756 WeakPolarHBondContact O-CA 3.21Å; L712-D756 HydrophobicContact CD2-CB 4.31Å; D756-G758 PolarHBondContact OD1-N 3.13Å; D756-S762 PolarHBondContact O-OG 2.86Å; D756-S762 WeakPolarHBondContact OD1-CA 3.33Å; D756-S762 WeakPolarHBondContact OD1-CB 3.23Å; D756-S762 PolarHBondContact OD1-OG 2.84Å; D756-L763 PolarHBondContact N-O 2.86Å; D756-L763 PolarHBondContact OD1-N 3.38Å; D756-L763 VanDerWaalsContact OD2-CA 3.32Å; D756-L763 WeakPolarHBondContact OD2-CA 3.21Å; D756-L763 VanDerWaalsContact OD2-CB 3.28Å; D756-L763 WeakPolarHBondContact OD2-CB 3.37Å; D756-L763 PolarHBondContact OD2-N 3.23Å | ||
| 757 | L | 85 | Confident | 84.1 | Confident | 78 Ų | 78 | 47.1 Ų | 47.1 | 41% | 0.408 | 24% | 0.238 | S | C | . | . | trans | -120 | 22.2 | 166.8 | -66.6 | 179.7 | 0 | 0 | 0 | 112.4 | M708 E711 K713 | M708-L757 CarbonylContact O-C 3.59Å; M708-L757 PolarHBondContact O-N 3.22Å; E711-L757 HydrophobicContact CB-CB 4.44Å; E711-L757 HydrophobicContact CB-CD1 4.12Å; E711-L757 HydrophobicContact CB-CG 4.48Å; E711-L757 HydrophobicContact CG-CD1 3.85Å; E711-L757 WeakPolarHBondContact O-CG 3.32Å; E711-L757 PolarHBondContact O-N 3.02Å; K713-L757 HydrophobicContact CB-CD2 4.25Å; K713-L757 HydrophobicContact CD-CD2 3.88Å | ||
| 758 | G | 79.8 | Confident | 84.2 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | trans | -80.1 | 168.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | N668 N709 D756 | N668-G758 VanDerWaalsContact OD1-CA 3.26Å; N668-G758 WeakPolarHBondContact OD1-CA 3.07Å; N709-G758 WeakPolarHBondContact OD1-CA 3.38Å; D756-G758 PolarHBondContact OD1-N 3.13Å | ||
| 759 | Y | 71.9 | Confident | 84.2 | Confident | 179 Ų | 179 | 45.3 Ų | 45.3 | 70% | 0.702 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -133.3 | 139 | -176.7 | -169.6 | -91.5 | 0 | 0 | 0 | 110.1 | ||
| 760 | P | 65.8 | Low | 84.2 | Confident | 101 Ų | 101 | 43.1 Ų | 43.1 | 66% | 0.656 | 22% | 0.222 | S | C | * | . | S | Bend | cis | -86.4 | -12.5 | 15.5 | 34.4 | -37.6 | 0 | 0 | 0 | 116 | ||
| 761 | K | 79.3 | Confident | 84.2 | Confident | 140 Ų | 140 | 43.1 Ų | 43.1 | 61% | 0.609 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -140.3 | 120.4 | -179.8 | -179.8 | -159.3 | 168.8 | -165.1 | 0 | 109 | L763 | K761-L763 HydrophobicContact CD-CD2 4.38Å; K761-L763 PolarHBondContact O-N 2.65Å |
| 762 | S | 82.5 | Confident | 84.2 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | trans | -64 | 127.4 | 170.7 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | D756 | D756-S762 PolarHBondContact O-OG 2.86Å; D756-S762 WeakPolarHBondContact OD1-CA 3.33Å; D756-S762 WeakPolarHBondContact OD1-CB 3.23Å; D756-S762 PolarHBondContact OD1-OG 2.84Å | ||
| 763 | L | 86.1 | Confident | 84 | Confident | 31 Ų | 31 | 44.5 Ų | 44.5 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | trans | -92.5 | 151.8 | 174.2 | -58 | 174 | 0 | 0 | 0 | 109 | N668 N670 T671 S755 D756 K761 | N668-L763 WeakPolarHBondContact ND2-CD1 3.41Å; N668-L763 WeakPolarHBondContact ND2-CG 3.34Å; N670-L763 WeakPolarHBondContact O-CD1 3.47Å; T671-L763 HydrophobicContact CG2-CB 4.18Å; T671-L763 HydrophobicContact CG2-CD1 4.04Å; S755-L763 VanDerWaalsContact CA-O 3.3Å; S755-L763 WeakPolarHBondContact CA-O 3.4Å; D756-L763 PolarHBondContact N-O 2.86Å; D756-L763 PolarHBondContact OD1-N 3.38Å; D756-L763 VanDerWaalsContact OD2-CA 3.32Å; D756-L763 WeakPolarHBondContact OD2-CA 3.21Å; D756-L763 VanDerWaalsContact OD2-CB 3.28Å; D756-L763 WeakPolarHBondContact OD2-CB 3.37Å; D756-L763 PolarHBondContact OD2-N 3.23Å; K761-L763 HydrophobicContact CD-CD2 4.38Å; K761-L763 PolarHBondContact O-N 2.65Å | ||
| 764 | H | 84.3 | Confident | 83.6 | Confident | 101 Ų | 101 | 44.8 Ų | 44.8 | 47% | 0.468 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 152 | -172.4 | 65.9 | -90.4 | 0 | 0 | 0 | 113.5 | N753 I754 | N753-H764 WeakPolarHBondContact OD1-CB 3.49Å; N753-H764 PolarHBondContact OD1-CD2 2.94Å; I754-H764 CarbonylContact O-C 3.43Å; I754-H764 WeakPolarHBondContact O-CA 3.34Å; I754-H764 VanDerWaalsContact O-CB 3.32Å; I754-H764 WeakPolarHBondContact O-CB 3.03Å |
| 765 | T | 87.1 | Confident | 83 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.6 | 179.3 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | P672 V674 I754 | P672-T765 VanDerWaalsContact O-CB 3.23Å; P672-T765 WeakPolarHBondContact O-CB 3.38Å; P672-T765 PolarHBondContact O-OG1 2.77Å; V674-T765 HydrophobicContact CG2-CG2 3.67Å; I754-T765 PolarHBondContact N-O 3.43Å; I754-T765 PolarHBondContact O-N 2.74Å |
| 766 | L | 85.6 | Confident | 82.2 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.3 | 176.4 | -61.5 | 178.4 | 0 | 0 | 0 | 110.8 | V717 V752 N753 | V717-L766 HydrophobicContact CG2-CD2 4.39Å; V752-L766 WeakPolarHBondContact O-CA 3.33Å; N753-L766 HydrophobicContact CB-CD2 3.61Å; N753-L766 WeakPolarHBondContact OD1-CD2 3.29Å |
| 767 | V | 86.6 | Confident | 81.3 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147 | 173.4 | 67.3 | 0 | 0 | 0 | 0 | 111.6 | V674 P677 V699 V752 I754 | V674-V767 HydrophobicContact CG1-CB 4.36Å; V674-V767 HydrophobicContact CG1-CG2 4.19Å; V674-V767 HydrophobicContact CG2-CB 4.47Å; P677-V767 HydrophobicContact CG-CG2 3.95Å; V699-V767 HydrophobicContact CG1-CG1 3.8Å; V752-V767 HydrophobicContact CB-CG1 3.85Å; V752-V767 HydrophobicContact CG1-CG1 4.33Å; V752-V767 PolarHBondContact N-O 2.69Å; V752-V767 PolarHBondContact O-N 3.4Å; I754-V767 HydrophobicContact CD1-CG1 3.92Å |
| 768 | L | 85.4 | Confident | 80.2 | Confident | 21 Ų | 21 | 54.6 Ų | 54.6 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.2 | 175.9 | -62.9 | 179.7 | 0 | 0 | 0 | 110.4 | N680 V751 F770 M791 I795 | N680-L768 HydrophobicContact CB-CB 4.47Å; V751-L768 HydrophobicContact CB-CD2 4.41Å; V751-L768 HydrophobicContact CG1-CD2 4.34Å; V751-L768 HydrophobicContact CG2-CD2 3.82Å; L768-F770 HydrophobicContact CB-CD2 4.43Å; L768-F770 HydrophobicContact CB-CE2 3.82Å; L768-F770 HydrophobicContact CD1-CE2 4.25Å; L768-F770 HydrophobicContact CD1-CZ 4.43Å; L768-M791 HydrophobicContact CD1-CE 3.96Å; L768-I795 HydrophobicContact CD2-CD1 3.97Å |
| 769 | V | 86.1 | Confident | 79.7 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.2 | 175.4 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | P677 A697 V699 I734 L750 V752 L771 | P677-V769 HydrophobicContact CG-CG2 4.33Å; A697-V769 HydrophobicContact CB-CG1 3.9Å; V699-V769 HydrophobicContact CG2-CG2 3.73Å; I734-V769 HydrophobicContact CD1-CB 4.21Å; I734-V769 HydrophobicContact CD1-CG1 3.94Å; I734-V769 HydrophobicContact CD1-CG2 4.1Å; L750-V769 HydrophobicContact CB-CB 4.31Å; L750-V769 WeakPolarHBondContact CB-O 3.34Å; L750-V769 PolarHBondContact N-O 3Å; L750-V769 PolarHBondContact O-N 3.32Å; V752-V769 HydrophobicContact CG2-CG2 4.04Å; V769-L771 HydrophobicContact CG1-CD2 3.98Å; V769-L771 HydrophobicContact CG1-CG 4.43Å |
| 770 | F | 86.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.3 | 179 | -70.3 | -90.6 | 0 | 0 | 0 | 110.9 | N680 F683 K684 L747 H748 R749 L768 I787 M791 | N680-F770 WeakPolarHBondContact O-CE2 3.25Å; F683-F770 CarbonylContact C-O 3.56Å; F683-F770 WeakPolarHBondContact CA-O 3.35Å; F683-F770 HydrophobicContact CB-CB 3.78Å; F683-F770 WeakPolarHBondContact CB-O 3.41Å; K684-F770 PolarHBondContact N-O 2.91Å; L747-F770 HydrophobicContact CD1-CB 4.12Å; L747-F770 HydrophobicContact CD1-CD1 4.03Å; L747-F770 HydrophobicContact CD2-CD1 3.98Å; L747-F770 HydrophobicContact CD2-CE1 4.34Å; L747-F770 HydrophobicContact CG-CD1 4.08Å; H748-F770 WeakPolarHBondContact O-CA 3.27Å; R749-F770 HydrophobicContact CB-CD1 4.07Å; R749-F770 HydrophobicContact CB-CE1 3.75Å; R749-F770 HydrophobicContact CB-CZ 4.45Å; R749-F770 HydrophobicContact CG-CD1 4.22Å; R749-F770 HydrophobicContact CG-CE1 3.56Å; R749-F770 HydrophobicContact CG-CZ 3.76Å; L768-F770 HydrophobicContact CB-CD2 4.43Å; L768-F770 HydrophobicContact CB-CE2 3.82Å; L768-F770 HydrophobicContact CD1-CE2 4.25Å; L768-F770 HydrophobicContact CD1-CZ 4.43Å; F770-I787 HydrophobicContact CB-CD1 4.4Å; F770-I787 HydrophobicContact CB-CG1 4.43Å; F770-I787 HydrophobicContact CD1-CG1 3.87Å; F770-I787 HydrophobicContact CD1-CG2 4.34Å; F770-I787 HydrophobicContact CD2-CG2 4.34Å; F770-I787 HydrophobicContact CE1-CB 4.43Å; F770-I787 HydrophobicContact CE1-CG1 4.26Å; F770-I787 HydrophobicContact CE1-CG2 4.06Å; F770-I787 HydrophobicContact CE2-CG2 4.11Å; F770-I787 HydrophobicContact CG-CD1 4.46Å; F770-I787 HydrophobicContact CG-CG1 4.11Å; F770-I787 HydrophobicContact CG-CG2 4.46Å; F770-I787 HydrophobicContact CZ-CG2 3.94Å; F770-M791 HydrophobicContact CE2-CE 4.48Å; F770-M791 HydrophobicContact CZ-CG 4.03Å |
| 771 | L | 85.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.9 | 177.9 | -55.1 | -178.2 | 0 | 0 | 0 | 108.8 | K684 V686 V696 A697 F725 I734 H748 L750 V769 | K684-L771 HydrophobicContact CB-CD2 3.98Å; V686-L771 HydrophobicContact CG2-CB 4.2Å; V696-L771 HydrophobicContact CG2-CD1 4.04Å; A697-L771 HydrophobicContact CB-CD2 3.69Å; F725-L771 HydrophobicContact CD1-CD1 3.49Å; F725-L771 VanDerWaalsContact CD1-CD1 3.49Å; F725-L771 HydrophobicContact CD2-CD1 4.16Å; F725-L771 HydrophobicContact CE1-CB 4.47Å; F725-L771 HydrophobicContact CE1-CD1 3.39Å; F725-L771 HydrophobicContact CE2-CD1 4.07Å; F725-L771 HydrophobicContact CG-CD1 3.87Å; F725-L771 HydrophobicContact CZ-CB 4.18Å; F725-L771 HydrophobicContact CZ-CD1 3.7Å; I734-L771 HydrophobicContact CG2-CD1 4.33Å; H748-L771 HydrophobicContact CB-CB 4.43Å; H748-L771 PolarHBondContact N-O 3.3Å; H748-L771 PolarHBondContact O-N 3.25Å; L750-L771 HydrophobicContact CD1-CD1 3.63Å; L750-L771 HydrophobicContact CD1-CG 4.35Å; L750-L771 HydrophobicContact CG-CD1 4.35Å; V769-L771 HydrophobicContact CG1-CD2 3.98Å; V769-L771 HydrophobicContact CG1-CG 4.43Å |
| 772 | Y | 86 | Confident | 79.5 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 12% | 0.122 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 109.9 | 176.9 | -171.8 | -99.6 | 0 | 0 | 0 | 109.9 | K684 L685 V686 G746 L747 N774 I783 | K684-Y772 PolarHBondContact O-N 3.29Å; L685-Y772 HydrophobicContact CD1-CD1 3.92Å; V686-Y772 PolarHBondContact N-O 3.29Å; G746-Y772 WeakPolarHBondContact O-CA 3.32Å; L747-Y772 HydrophobicContact CB-CD2 4.19Å; L747-Y772 HydrophobicContact CD1-CD2 4.3Å; Y772-N774 HydrophobicContact CD1-CB 4.14Å; Y772-N774 HydrophobicContact CE1-CB 3.61Å; Y772-N774 PolarHBondContact O-N 2.78Å; Y772-I783 HydrophobicContact CD1-CD1 3.52Å; Y772-I783 HydrophobicContact CD1-CG1 4.37Å; Y772-I783 HydrophobicContact CD2-CD1 3.92Å; Y772-I783 HydrophobicContact CD2-CG1 3.94Å; Y772-I783 HydrophobicContact CD2-CG2 4.05Å; Y772-I783 HydrophobicContact CE1-CD1 3.67Å; Y772-I783 HydrophobicContact CE1-CG1 4.27Å; Y772-I783 HydrophobicContact CE2-CD1 4.08Å; Y772-I783 HydrophobicContact CE2-CG1 3.86Å; Y772-I783 HydrophobicContact CG-CD1 3.64Å; Y772-I783 HydrophobicContact CG-CG1 4.2Å; Y772-I783 HydrophobicContact CG-CG2 4.31Å |
| 773 | V | 83.4 | Confident | 79.1 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 105.2 | -179.1 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | V686 F725 P740 D744 I745 G746 | V686-V773 HydrophobicContact CB-CG2 4.1Å; V686-V773 HydrophobicContact CG1-CG2 4.41Å; V686-V773 CarbonylContact O-C 3.59Å; V686-V773 VanDerWaalsContact O-CA 3.29Å; V686-V773 WeakPolarHBondContact O-CA 3.26Å; F725-V773 HydrophobicContact CZ-CG2 4.09Å; P740-V773 HydrophobicContact CB-CG1 3.73Å; P740-V773 HydrophobicContact CG-CG1 4.27Å; D744-V773 WeakPolarHBondContact O-CB 3.33Å; I745-V773 VanDerWaalsContact CA-O 3.3Å; I745-V773 WeakPolarHBondContact CA-O 3.43Å; G746-V773 PolarHBondContact N-O 2.95Å; G746-V773 VanDerWaalsContact N-O 3.08Å; G746-V773 PolarHBondContact O-N 3.24Å |
| 774 | N | 81.8 | Confident | 78.5 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -170.7 | 155.5 | 167.4 | -162.6 | 23.4 | 0 | 0 | 0 | 110.5 | L685 V686 P687 I745 Y772 T776 | L685-N774 WeakPolarHBondContact CD1-O 3.08Å; V686-N774 PolarHBondContact O-N 2.65Å; P687-N774 WeakPolarHBondContact CA-O 3.48Å; I745-N774 HydrophobicContact CG2-CB 4.39Å; Y772-N774 HydrophobicContact CD1-CB 4.14Å; Y772-N774 HydrophobicContact CE1-CB 3.61Å; Y772-N774 PolarHBondContact O-N 2.78Å; N774-T776 VanDerWaalsContact C-N 3.27Å; N774-T776 PolarHBondContact ND2-O 3.1Å; N774-T776 PolarHBondContact O-N 3.37Å |
| 775 | D | 76.7 | Confident | 78.1 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 43% | 0.428 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -70.2 | -20.2 | 174.2 | -75.7 | -37.4 | 0 | 0 | 0 | 113.6 | P687 L688 S689 | P687-D775 WeakPolarHBondContact CB-OD1 3.29Å; L688-D775 HydrophobicContact CD1-CB 4.44Å; L688-D775 PolarHBondContact N-OD1 3.49Å; S689-D775 PolarHBondContact N-OD1 2.63Å; S689-D775 PolarHBondContact OG-OD1 2.9Å |
| 776 | T | 71.9 | Confident | 77.5 | Confident | 92 Ų | 92 | 50.6 Ų | 50.6 | 56% | 0.564 | 29% | 0.292 | S | S | * | . | trans | -143.2 | 147.1 | 178.6 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | N774 G778 | N774-T776 VanDerWaalsContact C-N 3.27Å; N774-T776 PolarHBondContact ND2-O 3.1Å; N774-T776 PolarHBondContact O-N 3.37Å; T776-G778 PolarHBondContact O-N 2.86Å | ||
| 777 | V | 71.1 | Confident | 77.1 | Confident | 54 Ų | 54 | 46.1 Ų | 46.1 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | trans | -92.3 | 89.3 | 169.3 | 175.8 | 0 | 0 | 0 | 0 | 108.7 | L685 N779 A780 I783 | L685-V777 HydrophobicContact CD1-CG2 3.66Å; L685-V777 HydrophobicContact CD2-CG2 4.04Å; L685-V777 HydrophobicContact CG-CG2 4.38Å; V777-N779 VanDerWaalsContact C-N 3.26Å; V777-N779 PolarHBondContact O-N 2.79Å; V777-A780 HydrophobicContact CG1-CB 3.96Å; V777-I783 HydrophobicContact CB-CD1 4.28Å; V777-I783 HydrophobicContact CG1-CD1 3.61Å; V777-I783 HydrophobicContact CG2-CD1 3.85Å | ||
| 778 | G | 60.8 | Low | 76.4 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 78% | 0.784 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -63.3 | -29.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | T776 | T776-G778 PolarHBondContact O-N 2.86Š|
| 779 | N | 70.6 | Confident | 75.7 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 47% | 0.465 | 32% | 0.317 | S | S | . | . | trans | -158.4 | 118.1 | 167.3 | -177.8 | 5.7 | 0 | 0 | 0 | 110.5 | V777 T781 L782 | V777-N779 VanDerWaalsContact C-N 3.26Å; V777-N779 PolarHBondContact O-N 2.79Å; N779-T781 VanDerWaalsContact C-N 3.34Å; N779-T781 PolarHBondContact ND2-OG1 2.58Å; N779-T781 VanDerWaalsContact ND2-OG1 3.11Å; N779-T781 PolarHBondContact O-N 2.78Å; N779-T781 PolarHBondContact OD1-N 3.28Å; N779-T781 VanDerWaalsContact OD1-N 3.14Å; N779-T781 PolarHBondContact OD1-OG1 3.45Å; N779-L782 HydrophobicContact CB-CB 4.4Å; N779-L782 PolarHBondContact O-N 2.83Å | ||
| 780 | A | 67.7 | Low | 74.9 | Confident | 41 Ų | 41 | 61.1 Ų | 61.1 | 34% | 0.339 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.6 | -29.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V777 L782 I783 Y784 | V777-A780 HydrophobicContact CG1-CB 3.96Å; A780-L782 VanDerWaalsContact C-N 3.26Å; A780-L782 PolarHBondContact O-N 3.37Å; A780-I783 PolarHBondContact O-N 3.12Å; A780-I783 VanDerWaalsContact O-N 3.11Å; A780-Y784 VanDerWaalsContact O-CD2 3.25Å; A780-Y784 WeakPolarHBondContact O-CD2 3.1Å; A780-Y784 PolarHBondContact O-N 3.1Å; A780-Y784 VanDerWaalsContact O-N 3.09Å |
| 781 | T | 73 | Confident | 73.9 | Confident | 97 Ų | 97 | 64.9 Ų | 64.9 | 60% | 0.595 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.3 | -28 | 179.2 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | N779 Y784 D785 | N779-T781 VanDerWaalsContact C-N 3.34Å; N779-T781 PolarHBondContact ND2-OG1 2.58Å; N779-T781 VanDerWaalsContact ND2-OG1 3.11Å; N779-T781 PolarHBondContact O-N 2.78Å; N779-T781 PolarHBondContact OD1-N 3.28Å; N779-T781 VanDerWaalsContact OD1-N 3.14Å; N779-T781 PolarHBondContact OD1-OG1 3.45Å; T781-Y784 PolarHBondContact O-N 3.16Å; T781-D785 PolarHBondContact O-N 2.99Å |
| 782 | L | 71 | Confident | 72.5 | Confident | 96 Ų | 96 | 71 Ų | 71 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 171.7 | -176.3 | 64.9 | 0 | 0 | 0 | 111.6 | N779 A780 D785 L786 | N779-L782 HydrophobicContact CB-CB 4.4Å; N779-L782 PolarHBondContact O-N 2.83Å; A780-L782 VanDerWaalsContact C-N 3.26Å; A780-L782 PolarHBondContact O-N 3.37Å; L782-D785 PolarHBondContact O-N 3.47Å; L782-L786 HydrophobicContact CG-CD1 4.32Å; L782-L786 WeakPolarHBondContact O-CB 3.14Å; L782-L786 VanDerWaalsContact O-CG 3.27Å; L782-L786 WeakPolarHBondContact O-CG 3.13Å; L782-L786 PolarHBondContact O-N 2.64Å |
| 783 | I | 74.1 | Confident | 71.2 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 175.8 | -56.5 | 178 | 0 | 0 | 0 | 110.1 | F683 L747 Y772 V777 A780 D785 L786 I787 | F683-I783 HydrophobicContact CD1-CG2 3.79Å; F683-I783 HydrophobicContact CD2-CG2 4.04Å; F683-I783 HydrophobicContact CE1-CB 4.14Å; F683-I783 HydrophobicContact CE1-CG2 3.73Å; F683-I783 HydrophobicContact CE2-CD1 3.72Å; F683-I783 HydrophobicContact CE2-CG2 4Å; F683-I783 HydrophobicContact CG-CG2 3.96Å; F683-I783 HydrophobicContact CZ-CB 4.12Å; F683-I783 HydrophobicContact CZ-CD1 3.7Å; F683-I783 HydrophobicContact CZ-CG2 3.84Å; L747-I783 HydrophobicContact CD1-CG2 4.27Å; Y772-I783 HydrophobicContact CD1-CD1 3.52Å; Y772-I783 HydrophobicContact CD1-CG1 4.37Å; Y772-I783 HydrophobicContact CD2-CD1 3.92Å; Y772-I783 HydrophobicContact CD2-CG1 3.94Å; Y772-I783 HydrophobicContact CD2-CG2 4.05Å; Y772-I783 HydrophobicContact CE1-CD1 3.67Å; Y772-I783 HydrophobicContact CE1-CG1 4.27Å; Y772-I783 HydrophobicContact CE2-CD1 4.08Å; Y772-I783 HydrophobicContact CE2-CG1 3.86Å; Y772-I783 HydrophobicContact CG-CD1 3.64Å; Y772-I783 HydrophobicContact CG-CG1 4.2Å; Y772-I783 HydrophobicContact CG-CG2 4.31Å; V777-I783 HydrophobicContact CB-CD1 4.28Å; V777-I783 HydrophobicContact CG1-CD1 3.61Å; V777-I783 HydrophobicContact CG2-CD1 3.85Å; A780-I783 PolarHBondContact O-N 3.12Å; A780-I783 VanDerWaalsContact O-N 3.11Å; I783-D785 VanDerWaalsContact C-N 3.33Å; I783-D785 PolarHBondContact O-N 3.49Å; I783-L786 WeakPolarHBondContact O-CB 2.98Å; I783-L786 PolarHBondContact O-N 3Å; I783-I787 HydrophobicContact CG2-CD1 4.02Å; I783-I787 HydrophobicContact CG2-CG1 4.43Å; I783-I787 VanDerWaalsContact O-CG1 3.29Å; I783-I787 WeakPolarHBondContact O-CG1 3.48Å; I783-I787 PolarHBondContact O-N 2.76Å |
| 784 | Y | 75.1 | Confident | 69.8 | Low | 120 Ų | 120 | 78 Ų | 78 | 47% | 0.471 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.2 | -33 | 175.2 | -71.9 | -65.5 | 0 | 0 | 0 | 113.4 | T681 F683 A780 T781 I787 R788 | T681-Y784 WeakPolarHBondContact O-CE1 3.12Å; F683-Y784 HydrophobicContact CD1-CE1 4.09Å; F683-Y784 HydrophobicContact CE1-CE1 4.14Å; F683-Y784 AromaticContact CE1-CE2 3.98Å; F683-Y784 HydrophobicContact CE1-CE2 3.98Å; F683-Y784 AromaticContact CE1-CZ 3.76Å; A780-Y784 VanDerWaalsContact O-CD2 3.25Å; A780-Y784 WeakPolarHBondContact O-CD2 3.1Å; A780-Y784 PolarHBondContact O-N 3.1Å; A780-Y784 VanDerWaalsContact O-N 3.09Å; T781-Y784 PolarHBondContact O-N 3.16Å; Y784-I787 HydrophobicContact CD1-CD1 4.12Å; Y784-I787 HydrophobicContact CE1-CD1 4.49Å; Y784-I787 PolarHBondContact O-N 3.22Å; Y784-R788 WeakPolarHBondContact O-CB 3.39Å; Y784-R788 PolarHBondContact O-N 3.2Å |
| 785 | D | 75.1 | Confident | 68.5 | Low | 59 Ų | 59 | 79.9 Ų | 79.9 | 32% | 0.316 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.8 | -35.4 | 171.9 | -166 | 55.4 | 0 | 0 | 0 | 112.2 | T781 L782 I783 R788 R789 | T781-D785 PolarHBondContact O-N 2.99Å; L782-D785 PolarHBondContact O-N 3.47Å; I783-D785 VanDerWaalsContact C-N 3.33Å; I783-D785 PolarHBondContact O-N 3.49Å; D785-R788 PolarHBondContact O-N 2.81Å; D785-R789 WeakPolarHBondContact O-CB 3.36Å; D785-R789 VanDerWaalsContact O-CG 3.25Å; D785-R789 WeakPolarHBondContact O-CG 3.28Å; D785-R789 PolarHBondContact O-N 2.91Å; D785-R789 IonicContact OD1-NE 2.74Å; D785-R789 IonicContact OD2-CZ 3.19Å; D785-R789 IonicContact OD2-NE 3.15Å; D785-R789 PolarHBondContact OD2-NE 2.94Å; D785-R789 IonicContact OD2-NH2 2.74Å; D785-R789 PolarHBondContact OD2-NH2 3.01Å |
| 786 | L | 74.4 | Confident | 66.8 | Low | 61 Ų | 61 | 82 Ų | 82 | 32% | 0.319 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 171 | -74 | 166.1 | 0 | 0 | 0 | 112.1 | L747 L782 I783 R789 T790 | L747-L786 HydrophobicContact CD2-CB 3.83Å; L782-L786 HydrophobicContact CG-CD1 4.32Å; L782-L786 WeakPolarHBondContact O-CB 3.14Å; L782-L786 VanDerWaalsContact O-CG 3.27Å; L782-L786 WeakPolarHBondContact O-CG 3.13Å; L782-L786 PolarHBondContact O-N 2.64Å; I783-L786 WeakPolarHBondContact O-CB 2.98Å; I783-L786 PolarHBondContact O-N 3Å; L786-R789 PolarHBondContact O-N 2.81Å; L786-T790 WeakPolarHBondContact O-CB 3.48Å; L786-T790 WeakPolarHBondContact O-CG2 3.41Å; L786-T790 PolarHBondContact O-N 2.9Å; L786-T790 PolarHBondContact O-OG1 2.89Å |
| 787 | I | 76.8 | Confident | 65.6 | Low | 3 Ų | 3 | 88.5 Ų | 88.5 | 2% | 0.015 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.1 | -49 | 172.9 | -69.5 | 166.2 | 0 | 0 | 0 | 109.2 | F683 L747 F770 I783 Y784 R789 T790 M791 | F683-I787 HydrophobicContact CB-CD1 3.94Å; F683-I787 HydrophobicContact CD1-CD1 3.73Å; F683-I787 HydrophobicContact CG-CD1 4.15Å; L747-I787 HydrophobicContact CD1-CG1 4Å; L747-I787 HydrophobicContact CD2-CB 4.31Å; L747-I787 HydrophobicContact CD2-CG1 3.6Å; L747-I787 HydrophobicContact CG-CG1 4.45Å; F770-I787 HydrophobicContact CB-CD1 4.4Å; F770-I787 HydrophobicContact CB-CG1 4.43Å; F770-I787 HydrophobicContact CD1-CG1 3.87Å; F770-I787 HydrophobicContact CD1-CG2 4.34Å; F770-I787 HydrophobicContact CD2-CG2 4.34Å; F770-I787 HydrophobicContact CE1-CB 4.43Å; F770-I787 HydrophobicContact CE1-CG1 4.26Å; F770-I787 HydrophobicContact CE1-CG2 4.06Å; F770-I787 HydrophobicContact CE2-CG2 4.11Å; F770-I787 HydrophobicContact CG-CD1 4.46Å; F770-I787 HydrophobicContact CG-CG1 4.11Å; F770-I787 HydrophobicContact CG-CG2 4.46Å; F770-I787 HydrophobicContact CZ-CG2 3.94Å; I783-I787 HydrophobicContact CG2-CD1 4.02Å; I783-I787 HydrophobicContact CG2-CG1 4.43Å; I783-I787 VanDerWaalsContact O-CG1 3.29Å; I783-I787 WeakPolarHBondContact O-CG1 3.48Å; I783-I787 PolarHBondContact O-N 2.76Å; Y784-I787 HydrophobicContact CD1-CD1 4.12Å; Y784-I787 HydrophobicContact CE1-CD1 4.49Å; Y784-I787 PolarHBondContact O-N 3.22Å; I787-R789 PolarHBondContact O-N 2.04Å; I787-T790 WeakPolarHBondContact CA-OG1 3.42Å; I787-T790 CarbonylContact O-C 3.4Å; I787-T790 PolarHBondContact O-N 2.7Å; I787-T790 VanDerWaalsContact O-N 3.15Å; I787-T790 PolarHBondContact O-OG1 3.23Å; I787-T790 VanDerWaalsContact O-OG1 3.13Å; I787-M791 HydrophobicContact CG2-CG 4.46Å; I787-M791 HydrophobicContact CG2-SD 4.08Å; I787-M791 WeakPolarHBondContact O-CG 3.45Å; I787-M791 PolarHBondContact O-N 2.71Å |
| 788 | R | 72.3 | Confident | 64.3 | Low | 160 Ų | 160 | 93.1 Ų | 93.1 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -56.9 | -51.3 | 177.2 | -176.8 | 179 | -179.1 | 143.6 | 5.5 | 112.4 | Y784 D785 T790 M791 E792 | Y784-R788 WeakPolarHBondContact O-CB 3.39Å; Y784-R788 PolarHBondContact O-N 3.2Å; D785-R788 PolarHBondContact O-N 2.81Å; R788-T790 VanDerWaalsContact C-N 3.27Å; R788-T790 PolarHBondContact O-N 2.95Å; R788-M791 WeakPolarHBondContact O-CB 3.25Å; R788-M791 PolarHBondContact O-N 3.27Å; R788-E792 IonicContact NE-OE1 3.1Å; R788-E792 PolarHBondContact NE-OE1 2.65Å; R788-E792 WeakPolarHBondContact O-CG 3.3Å; R788-E792 PolarHBondContact O-N 3.04Å |
| 789 | R | 70.7 | Confident | 63.7 | Low | 150 Ų | 150 | 93.5 Ų | 93.5 | 57% | 0.566 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.2 | -31.9 | 177.3 | -69.1 | 171 | -164.6 | -107.1 | 2.6 | 112.9 | D785 L786 I787 E792 T793 | D785-R789 WeakPolarHBondContact O-CB 3.36Å; D785-R789 VanDerWaalsContact O-CG 3.25Å; D785-R789 WeakPolarHBondContact O-CG 3.28Å; D785-R789 PolarHBondContact O-N 2.91Å; D785-R789 IonicContact OD1-NE 2.74Å; D785-R789 IonicContact OD2-CZ 3.19Å; D785-R789 IonicContact OD2-NE 3.15Å; D785-R789 PolarHBondContact OD2-NE 2.94Å; D785-R789 IonicContact OD2-NH2 2.74Å; D785-R789 PolarHBondContact OD2-NH2 3.01Å; L786-R789 PolarHBondContact O-N 2.81Å; I787-R789 PolarHBondContact O-N 2.04Å; R789-E792 PolarHBondContact O-N 2.93Å; R789-T793 PolarHBondContact O-N 3.1Å |
| 790 | T | 69.3 | Low | 62.5 | Low | 39 Ų | 39 | 92.7 Ų | 92.7 | 24% | 0.239 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -87.1 | -2.6 | 174.6 | 54.6 | 0 | 0 | 0 | 0 | 114 | R749 L786 I787 R788 T793 | R749-T790 WeakPolarHBondContact CD-O 3.31Å; R749-T790 PolarHBondContact NH1-O 3.4Å; L786-T790 WeakPolarHBondContact O-CB 3.48Å; L786-T790 WeakPolarHBondContact O-CG2 3.41Å; L786-T790 PolarHBondContact O-N 2.9Å; L786-T790 PolarHBondContact O-OG1 2.89Å; I787-T790 WeakPolarHBondContact CA-OG1 3.42Å; I787-T790 CarbonylContact O-C 3.4Å; I787-T790 PolarHBondContact O-N 2.7Å; I787-T790 VanDerWaalsContact O-N 3.15Å; I787-T790 PolarHBondContact O-OG1 3.23Å; I787-T790 VanDerWaalsContact O-OG1 3.13Å; R788-T790 VanDerWaalsContact C-N 3.27Å; R788-T790 PolarHBondContact O-N 2.95Å; T790-T793 PolarHBondContact O-OG1 2.84Å |
| 791 | M | 65 | Low | 61.2 | Low | 79 Ų | 79 | 98.7 Ų | 98.7 | 39% | 0.389 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -91 | -26.5 | 160.7 | -69.8 | 179.8 | 119.9 | 0 | 0 | 111.6 | N680 T681 L768 F770 I787 R788 T793 | N680-M791 HydrophobicContact CB-CE 3.92Å; N680-M791 WeakPolarHBondContact O-CE 3.23Å; T681-M791 HydrophobicContact CG2-CE 4.26Å; T681-M791 HydrophobicContact CG2-SD 4.04Å; L768-M791 HydrophobicContact CD1-CE 3.96Å; F770-M791 HydrophobicContact CE2-CE 4.48Å; F770-M791 HydrophobicContact CZ-CG 4.03Å; I787-M791 HydrophobicContact CG2-CG 4.46Å; I787-M791 HydrophobicContact CG2-SD 4.08Å; I787-M791 WeakPolarHBondContact O-CG 3.45Å; I787-M791 PolarHBondContact O-N 2.71Å; R788-M791 WeakPolarHBondContact O-CB 3.25Å; R788-M791 PolarHBondContact O-N 3.27Å; M791-T793 VanDerWaalsContact C-N 3.34Å |
| 792 | E | 56.8 | Low | 59.1 | Low | 129 Ų | 129 | 99.5 Ų | 99.5 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -75 | -19.9 | 172.4 | -70.4 | 168.1 | -170.4 | 0 | 0 | 112.6 | R788 R789 | R788-E792 IonicContact NE-OE1 3.1Å; R788-E792 PolarHBondContact NE-OE1 2.65Å; R788-E792 WeakPolarHBondContact O-CG 3.3Å; R788-E792 PolarHBondContact O-N 3.04Å; R789-E792 PolarHBondContact O-N 2.93Å |
| 793 | T | 57 | Low | 57.5 | Low | 69 Ų | 69 | 99.4 Ų | 99.4 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -78 | 125.9 | 165.1 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | R749 R789 T790 M791 I795 | R749-T793 PolarHBondContact NH1-O 2.8Å; R749-T793 PolarHBondContact NH1-OG1 2.77Å; R789-T793 PolarHBondContact O-N 3.1Å; T790-T793 PolarHBondContact O-OG1 2.84Å; M791-T793 VanDerWaalsContact C-N 3.34Å; T793-I795 PolarHBondContact O-N 3.11Å |
| 794 | P | 53.8 | Low | 55.4 | Low | 112 Ų | 112 | 106.6 Ų | 106.6 | 73% | 0.727 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 138.7 | 179.8 | 23.8 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 795 | I | 55.7 | Low | 53.4 | Low | 71 Ų | 71 | 107.1 Ų | 107.1 | 36% | 0.364 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 130.6 | 156.7 | -55.9 | 170.2 | 0 | 0 | 0 | 105.4 | L768 T793 R797 | L768-I795 HydrophobicContact CD2-CD1 3.97Å; T793-I795 PolarHBondContact O-N 3.11Å; I795-R797 PolarHBondContact O-N 2.89Å |
| 796 | D | 40.7 | Very low | 51.5 | Low | 126 Ų | 126 | 113.5 Ų | 113.5 | 67% | 0.674 | 58% | 0.584 | S | S | * | * | trans | -56.8 | 111.8 | 173.2 | -93.1 | -50.6 | 0 | 0 | 0 | 108.8 | N798 | D796-N798 PolarHBondContact O-N 2.94Å; D796-N798 VanDerWaalsContact O-N 3.08Å | ||
| 797 | R | 46.5 | Very low | 49.7 | Very low | 227 Ų | 227 | 118.8 Ų | 118.8 | 86% | 0.857 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -68.6 | -4.4 | -179 | -79.8 | -175.6 | 165.5 | -176.4 | -5.9 | 113.3 | I795 I799 | I795-R797 PolarHBondContact O-N 2.89Å; R797-I799 PolarHBondContact O-N 2.77Å |
| 798 | N | 44.2 | Very low | 48 | Very low | 151 Ų | 151 | 126 Ų | 126 | 81% | 0.807 | 65% | 0.646 | S | S | * | * | trans | -89.3 | 40.7 | 177.4 | -64.6 | 2.1 | 0 | 0 | 0 | 112.3 | D796 | D796-N798 PolarHBondContact O-N 2.94Å; D796-N798 VanDerWaalsContact O-N 3.08Å | ||
| 799 | I | 47.9 | Very low | 46.8 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 43% | 0.431 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -128.5 | 88.3 | 164.3 | -54.4 | 178.9 | 0 | 0 | 0 | 106.5 | V717 R797 | V717-I799 HydrophobicContact CB-CG2 4.25Å; R797-I799 PolarHBondContact O-N 2.77Å |
| 800 | G | 45 | Very low | 45.8 | Very low | 71 Ų | 71 | 118.3 Ų | 118.3 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 148.2 | -31 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 801 | E | 40.5 | Very low | 44.9 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 78% | 0.78 | 66% | 0.655 | S | S | * | * | trans | -105 | 71 | 178.8 | -69.5 | -165.6 | 156.5 | 0 | 0 | 112.8 | S803 | E801-S803 PolarHBondContact O-N 3Š| ||
| 802 | S | 29.5 | Very low | 44.3 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 79% | 0.79 | 66% | 0.664 | S | S | * | * | trans | -76.6 | 71.9 | 153.1 | 58.2 | 0 | 0 | 0 | 0 | 108.9 | E804 | S802-E804 PolarHBondContact O-N 2.9Š| ||
| 803 | S | 37.4 | Very low | 44.1 | Very low | 95 Ų | 95 | 123.6 Ų | 123.6 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | trans | -75.5 | 59.7 | 179.7 | 51.1 | 0 | 0 | 0 | 0 | 112 | E801 T805 | E801-S803 PolarHBondContact O-N 3Å; S803-T805 PolarHBondContact O-N 2.8Å | ||
| 804 | E | 30.6 | Very low | 44.1 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 71% | 0.71 | 66% | 0.664 | S | S | * | * | trans | -67 | 99.2 | 163.6 | -70.8 | -155 | 143.3 | 0 | 0 | 108.8 | S802 Y806 | S802-E804 PolarHBondContact O-N 2.9Å; E804-Y806 HydrophobicContact CB-CD2 4.18Å; E804-Y806 HydrophobicContact CB-CE2 4.32Å; E804-Y806 PolarHBondContact O-N 2.66Å; E804-Y806 WeakPolarHBondContact OE2-CE2 3.07Å | ||
| 805 | T | 33 | Very low | 44.1 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 80% | 0.804 | 65% | 0.652 | S | S | * | * | trans | -68.8 | 74 | 171.7 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | S803 Q807 | S803-T805 PolarHBondContact O-N 2.8Å; T805-Q807 PolarHBondContact O-N 3.05Å | ||
| 806 | Y | 33.8 | Very low | 44.3 | Very low | 194 Ų | 194 | 125 Ų | 125 | 76% | 0.761 | 66% | 0.656 | S | S | * | * | trans | -58.7 | 127.4 | 163.2 | -93.6 | -86.3 | 0 | 0 | 0 | 109 | E804 | E804-Y806 HydrophobicContact CB-CD2 4.18Å; E804-Y806 HydrophobicContact CB-CE2 4.32Å; E804-Y806 PolarHBondContact O-N 2.66Å; E804-Y806 WeakPolarHBondContact OE2-CE2 3.07Å | ||
| 807 | Q | 38 | Very low | 45.1 | Very low | 172 Ų | 172 | 121.6 Ų | 121.6 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | trans | -71.7 | 146.5 | -171.6 | -63.1 | -163 | -15.6 | 0 | 0 | 111.5 | T805 G809 | T805-Q807 PolarHBondContact O-N 3.05Å; Q807-G809 PolarHBondContact O-N 3.47Å | ||
| 808 | N | 40.4 | Very low | 45.9 | Very low | 155 Ų | 155 | 118 Ų | 118 | 83% | 0.829 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 28.5 | 173 | -76.3 | -25.6 | 0 | 0 | 0 | 114 | ||
| 809 | G | 47.1 | Very low | 46.9 | Very low | 37 Ų | 37 | 114.9 Ų | 114.9 | 38% | 0.381 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.8 | -48.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q807 T813 | Q807-G809 PolarHBondContact O-N 3.47Å; G809-T813 WeakPolarHBondContact O-CB 3.48Å; G809-T813 PolarHBondContact O-N 3.26Å; G809-T813 VanDerWaalsContact O-N 3.15Å; G809-T813 PolarHBondContact O-OG1 2.87Å |
| 810 | D | 49 | Very low | 47.8 | Very low | 111 Ų | 111 | 114.2 Ų | 114.2 | 59% | 0.594 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -87.5 | -30.1 | -166.4 | -70.5 | -28.3 | 0 | 0 | 0 | 114.3 | L812 T813 I814 | D810-L812 VanDerWaalsContact C-N 3.33Å; D810-L812 PolarHBondContact O-N 3.25Å; D810-T813 CarbonylContact O-C 3.56Å; D810-T813 PolarHBondContact O-N 3.38Å; D810-I814 WeakPolarHBondContact O-CB 3.34Å; D810-I814 VanDerWaalsContact O-CG1 3.25Å; D810-I814 WeakPolarHBondContact O-CG1 2.92Å; D810-I814 PolarHBondContact O-N 2.9Å |
| 811 | Y | 50 | Low | 48.8 | Very low | 160 Ų | 160 | 112.3 Ų | 112.3 | 63% | 0.627 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.6 | -36.7 | 176.5 | -144.9 | -83 | 0 | 0 | 0 | 111.8 | M815 | Y811-M815 HydrophobicContact CD1-CG 4.06Å; Y811-M815 HydrophobicContact CE1-CE 3.98Å; Y811-M815 HydrophobicContact CE1-CG 3.99Å; Y811-M815 WeakPolarHBondContact O-CB 3.38Å; Y811-M815 PolarHBondContact O-N 3.5Å |
| 812 | L | 52.5 | Low | 50.1 | Low | 113 Ų | 113 | 106.7 Ų | 106.7 | 59% | 0.592 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.4 | -41 | 170.7 | -171.1 | 70.6 | 0 | 0 | 0 | 110.9 | D810 I814 I816 | D810-L812 VanDerWaalsContact C-N 3.33Å; D810-L812 PolarHBondContact O-N 3.25Å; L812-I814 PolarHBondContact O-N 2.96Å; L812-I816 HydrophobicContact CD1-CD1 4.18Å; L812-I816 HydrophobicContact CD1-CG1 4.42Å; L812-I816 HydrophobicContact CD2-CD1 4.31Å; L812-I816 HydrophobicContact CG-CD1 3.81Å; L812-I816 HydrophobicContact CG-CG1 4.35Å; L812-I816 WeakPolarHBondContact O-CB 3.43Å; L812-I816 WeakPolarHBondContact O-CG1 3.38Å; L812-I816 PolarHBondContact O-N 3.45Å |
| 813 | T | 53.3 | Low | 52.1 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.6 | -36.1 | 178.1 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | G809 D810 A817 | G809-T813 WeakPolarHBondContact O-CB 3.48Å; G809-T813 PolarHBondContact O-N 3.26Å; G809-T813 VanDerWaalsContact O-N 3.15Å; G809-T813 PolarHBondContact O-OG1 2.87Å; D810-T813 CarbonylContact O-C 3.56Å; D810-T813 PolarHBondContact O-N 3.38Å; T813-A817 WeakPolarHBondContact O-CB 3.41Å; T813-A817 PolarHBondContact O-N 2.84Å |
| 814 | I | 57.2 | Low | 53.9 | Low | 96 Ų | 96 | 105.1 Ų | 105.1 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -76.4 | -41.2 | 177.3 | -68.1 | 166.8 | 0 | 0 | 0 | 111 | D810 L812 A817 F818 | D810-I814 WeakPolarHBondContact O-CB 3.34Å; D810-I814 VanDerWaalsContact O-CG1 3.25Å; D810-I814 WeakPolarHBondContact O-CG1 2.92Å; D810-I814 PolarHBondContact O-N 2.9Å; L812-I814 PolarHBondContact O-N 2.96Å; I814-A817 CarbonylContact O-C 3.49Å; I814-A817 PolarHBondContact O-N 3.16Å; I814-F818 HydrophobicContact CG2-CD2 4.05Å; I814-F818 HydrophobicContact CG2-CE2 4.42Å; I814-F818 PolarHBondContact O-N 2.89Å |
| 815 | M | 54.3 | Low | 55.9 | Low | 96 Ų | 96 | 102 Ų | 102 | 47% | 0.473 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.9 | -36 | 172.4 | -80.7 | -67.2 | 176.6 | 0 | 0 | 112 | Y811 F818 V819 | Y811-M815 HydrophobicContact CD1-CG 4.06Å; Y811-M815 HydrophobicContact CE1-CE 3.98Å; Y811-M815 HydrophobicContact CE1-CG 3.99Å; Y811-M815 WeakPolarHBondContact O-CB 3.38Å; Y811-M815 PolarHBondContact O-N 3.5Å; M815-F818 PolarHBondContact O-N 2.92Å; M815-V819 WeakPolarHBondContact O-CB 3.17Å; M815-V819 VanDerWaalsContact O-CG2 3.24Å; M815-V819 WeakPolarHBondContact O-CG2 3.07Å; M815-V819 PolarHBondContact O-N 3.25Å |
| 816 | I | 59.1 | Low | 57.9 | Low | 88 Ų | 88 | 100.5 Ų | 100.5 | 45% | 0.451 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 168.5 | -71.1 | 174.8 | 0 | 0 | 0 | 110 | L812 F818 V819 T820 | L812-I816 HydrophobicContact CD1-CD1 4.18Å; L812-I816 HydrophobicContact CD1-CG1 4.42Å; L812-I816 HydrophobicContact CD2-CD1 4.31Å; L812-I816 HydrophobicContact CG-CD1 3.81Å; L812-I816 HydrophobicContact CG-CG1 4.35Å; L812-I816 WeakPolarHBondContact O-CB 3.43Å; L812-I816 WeakPolarHBondContact O-CG1 3.38Å; L812-I816 PolarHBondContact O-N 3.45Å; I816-F818 PolarHBondContact O-N 3.5Å; I816-V819 PolarHBondContact O-N 3.26Å; I816-T820 HydrophobicContact CG2-CG2 3.83Å; I816-T820 WeakPolarHBondContact O-CA 3.19Å; I816-T820 WeakPolarHBondContact O-CB 3.37Å; I816-T820 VanDerWaalsContact O-CG2 3.26Å; I816-T820 WeakPolarHBondContact O-CG2 3.18Å; I816-T820 PolarHBondContact O-N 3.02Å; I816-T820 PolarHBondContact O-OG1 3.04Å |
| 817 | A | 57.3 | Low | 59.9 | Low | 55 Ų | 55 | 95.8 Ų | 95.8 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T813 I814 G821 | T813-A817 WeakPolarHBondContact O-CB 3.41Å; T813-A817 PolarHBondContact O-N 2.84Å; I814-A817 CarbonylContact O-C 3.49Å; I814-A817 PolarHBondContact O-N 3.16Å; A817-G821 VanDerWaalsContact O-CA 3.22Å; A817-G821 WeakPolarHBondContact O-CA 3.14Å; A817-G821 PolarHBondContact O-N 3.27Å |
| 818 | F | 63.5 | Low | 61.7 | Low | 152 Ų | 152 | 91.4 Ų | 91.4 | 67% | 0.667 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -78.4 | -38.7 | 174.3 | -97.8 | -83.7 | 0 | 0 | 0 | 112.8 | I814 M815 I816 G821 A822 | I814-F818 HydrophobicContact CG2-CD2 4.05Å; I814-F818 HydrophobicContact CG2-CE2 4.42Å; I814-F818 PolarHBondContact O-N 2.89Å; M815-F818 PolarHBondContact O-N 2.92Å; I816-F818 PolarHBondContact O-N 3.5Å; F818-G821 PolarHBondContact O-N 3.38Å; F818-A822 WeakPolarHBondContact O-CB 3.37Å; F818-A822 PolarHBondContact O-N 3.01Å |
| 819 | V | 66.4 | Low | 63.3 | Low | 86 Ų | 86 | 88.5 Ų | 88.5 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.3 | -37.5 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | M815 I816 L823 | M815-V819 WeakPolarHBondContact O-CB 3.17Å; M815-V819 VanDerWaalsContact O-CG2 3.24Å; M815-V819 WeakPolarHBondContact O-CG2 3.07Å; M815-V819 PolarHBondContact O-N 3.25Å; I816-V819 PolarHBondContact O-N 3.26Å; V819-L823 HydrophobicContact CG1-CD1 4.12Å; V819-L823 WeakPolarHBondContact O-CB 3.13Å; V819-L823 WeakPolarHBondContact O-CG 3.35Å; V819-L823 PolarHBondContact O-N 3.45Å |
| 820 | T | 66.9 | Low | 64.4 | Low | 69 Ų | 69 | 92.9 Ų | 92.9 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.2 | -28.7 | 167.9 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | I816 V824 | I816-T820 HydrophobicContact CG2-CG2 3.83Å; I816-T820 WeakPolarHBondContact O-CA 3.19Å; I816-T820 WeakPolarHBondContact O-CB 3.37Å; I816-T820 VanDerWaalsContact O-CG2 3.26Å; I816-T820 WeakPolarHBondContact O-CG2 3.18Å; I816-T820 PolarHBondContact O-N 3.02Å; I816-T820 PolarHBondContact O-OG1 3.04Å; T820-V824 WeakPolarHBondContact O-CA 3.07Å; T820-V824 WeakPolarHBondContact O-CB 3.48Å; T820-V824 WeakPolarHBondContact O-CG2 3.48Å; T820-V824 PolarHBondContact O-N 2.89Å |
| 821 | G | 64.5 | Low | 65.5 | Low | 31 Ų | 31 | 90.8 Ų | 90.8 | 32% | 0.32 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A817 F818 V824 V825 | A817-G821 VanDerWaalsContact O-CA 3.22Å; A817-G821 WeakPolarHBondContact O-CA 3.14Å; A817-G821 PolarHBondContact O-N 3.27Å; F818-G821 PolarHBondContact O-N 3.38Å; G821-V824 PolarHBondContact O-N 2.87Å; G821-V825 WeakPolarHBondContact O-CB 2.9Å; G821-V825 VanDerWaalsContact O-CG2 3.27Å; G821-V825 WeakPolarHBondContact O-CG2 3.21Å; G821-V825 PolarHBondContact O-N 3.35Å |
| 822 | A | 68.3 | Low | 66.4 | Low | 49 Ų | 49 | 86.3 Ų | 86.3 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F818 V825 I826 | F818-A822 WeakPolarHBondContact O-CB 3.37Å; F818-A822 PolarHBondContact O-N 3.01Å; A822-V825 PolarHBondContact O-N 3.28Å; A822-I826 WeakPolarHBondContact O-CB 3.44Å; A822-I826 WeakPolarHBondContact O-CD1 3.37Å; A822-I826 WeakPolarHBondContact O-CG1 3.18Å; A822-I826 PolarHBondContact O-N 2.94Å |
| 823 | L | 71 | Confident | 67.1 | Low | 87 Ų | 87 | 84.2 Ų | 84.2 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69 | -35 | 173.6 | -85.4 | 165.6 | 0 | 0 | 0 | 112.3 | V819 I827 | V819-L823 HydrophobicContact CG1-CD1 4.12Å; V819-L823 WeakPolarHBondContact O-CB 3.13Å; V819-L823 WeakPolarHBondContact O-CG 3.35Å; V819-L823 PolarHBondContact O-N 3.45Å; L823-I827 HydrophobicContact CB-CD1 4.46Å; L823-I827 WeakPolarHBondContact O-CA 3.12Å; L823-I827 WeakPolarHBondContact O-CB 3.29Å; L823-I827 WeakPolarHBondContact O-CD1 3.28Å; L823-I827 WeakPolarHBondContact O-CG1 3.4Å; L823-I827 PolarHBondContact O-N 3.21Å |
| 824 | V | 75.3 | Confident | 67.7 | Low | 88 Ų | 88 | 84.1 Ų | 84.1 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.3 | -35.6 | 173.9 | 167.3 | 0 | 0 | 0 | 0 | 110 | T820 G821 V828 | T820-V824 WeakPolarHBondContact O-CA 3.07Å; T820-V824 WeakPolarHBondContact O-CB 3.48Å; T820-V824 WeakPolarHBondContact O-CG2 3.48Å; T820-V824 PolarHBondContact O-N 2.89Å; G821-V824 PolarHBondContact O-N 2.87Å; V824-V828 HydrophobicContact CG1-CG2 4.22Å; V824-V828 WeakPolarHBondContact O-CA 3.5Å; V824-V828 WeakPolarHBondContact O-CB 3.28Å; V824-V828 WeakPolarHBondContact O-CG2 3.22Å; V824-V828 PolarHBondContact O-N 3.36Å |
| 825 | V | 73.4 | Confident | 68 | Low | 86 Ų | 86 | 83.3 Ų | 83.3 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 172.1 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | G821 A822 V828 I829 | G821-V825 WeakPolarHBondContact O-CB 2.9Å; G821-V825 VanDerWaalsContact O-CG2 3.27Å; G821-V825 WeakPolarHBondContact O-CG2 3.21Å; G821-V825 PolarHBondContact O-N 3.35Å; A822-V825 PolarHBondContact O-N 3.28Å; V825-V828 CarbonylContact O-C 3.58Å; V825-V828 PolarHBondContact O-N 2.91Å; V825-I829 HydrophobicContact CG1-CD1 3.77Å; V825-I829 HydrophobicContact CG1-CG1 4.47Å; V825-I829 VanDerWaalsContact O-CB 3.3Å; V825-I829 WeakPolarHBondContact O-CB 3.32Å; V825-I829 WeakPolarHBondContact O-CG1 3.38Å; V825-I829 PolarHBondContact O-N 3.41Å |
| 826 | I | 73.9 | Confident | 68.1 | Low | 101 Ų | 101 | 88.3 Ų | 88.3 | 52% | 0.518 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.8 | -38.1 | 176.4 | -71.2 | 165.7 | 0 | 0 | 0 | 110.7 | A822 I829 F830 | A822-I826 WeakPolarHBondContact O-CB 3.44Å; A822-I826 WeakPolarHBondContact O-CD1 3.37Å; A822-I826 WeakPolarHBondContact O-CG1 3.18Å; A822-I826 PolarHBondContact O-N 2.94Å; I826-I829 PolarHBondContact O-N 3.49Å; I826-F830 WeakPolarHBondContact O-CB 3.12Å; I826-F830 PolarHBondContact O-N 2.88Å |
| 827 | I | 75.6 | Confident | 67.8 | Low | 94 Ų | 94 | 87.5 Ų | 87.5 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.9 | -35.4 | 173 | -69.3 | 164.9 | 0 | 0 | 0 | 109.9 | L823 F830 V831 | L823-I827 HydrophobicContact CB-CD1 4.46Å; L823-I827 WeakPolarHBondContact O-CA 3.12Å; L823-I827 WeakPolarHBondContact O-CB 3.29Å; L823-I827 WeakPolarHBondContact O-CD1 3.28Å; L823-I827 WeakPolarHBondContact O-CG1 3.4Å; L823-I827 PolarHBondContact O-N 3.21Å; I827-F830 PolarHBondContact O-N 2.87Å; I827-V831 HydrophobicContact CG2-CG2 3.86Å; I827-V831 WeakPolarHBondContact O-CA 3.37Å; I827-V831 WeakPolarHBondContact O-CB 3.45Å; I827-V831 WeakPolarHBondContact O-CG2 3.5Å; I827-V831 PolarHBondContact O-N 2.85Å |
| 828 | V | 76 | Confident | 67.7 | Low | 80 Ų | 80 | 91.9 Ų | 91.9 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.2 | -34.6 | 171.9 | 166.5 | 0 | 0 | 0 | 0 | 110.7 | V824 V825 T832 | V824-V828 HydrophobicContact CG1-CG2 4.22Å; V824-V828 WeakPolarHBondContact O-CA 3.5Å; V824-V828 WeakPolarHBondContact O-CB 3.28Å; V824-V828 WeakPolarHBondContact O-CG2 3.22Å; V824-V828 PolarHBondContact O-N 3.36Å; V825-V828 CarbonylContact O-C 3.58Å; V825-V828 PolarHBondContact O-N 2.91Å; V828-T832 HydrophobicContact CG1-CG2 4.17Å; V828-T832 WeakPolarHBondContact O-CA 3.24Å; V828-T832 WeakPolarHBondContact O-CB 3.31Å; V828-T832 WeakPolarHBondContact O-CG2 3.3Å; V828-T832 PolarHBondContact O-N 2.85Å; V828-T832 PolarHBondContact O-OG1 2.69Å |
| 829 | I | 74 | Confident | 66.9 | Low | 94 Ų | 94 | 90.4 Ų | 90.4 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.4 | -46.6 | 171.2 | -73 | 165.4 | 0 | 0 | 0 | 109.8 | V825 I826 V831 T832 V833 | V825-I829 HydrophobicContact CG1-CD1 3.77Å; V825-I829 HydrophobicContact CG1-CG1 4.47Å; V825-I829 VanDerWaalsContact O-CB 3.3Å; V825-I829 WeakPolarHBondContact O-CB 3.32Å; V825-I829 WeakPolarHBondContact O-CG1 3.38Å; V825-I829 PolarHBondContact O-N 3.41Å; I826-I829 PolarHBondContact O-N 3.49Å; I829-V831 PolarHBondContact O-N 2.82Å; I829-T832 CarbonylContact O-C 3.58Å; I829-T832 PolarHBondContact O-N 2.98Å; I829-T832 PolarHBondContact O-OG1 3.24Å; I829-V833 HydrophobicContact CG2-CG2 4.37Å; I829-V833 WeakPolarHBondContact O-CA 3.41Å; I829-V833 WeakPolarHBondContact O-CB 3.42Å; I829-V833 WeakPolarHBondContact O-CG2 3.39Å; I829-V833 PolarHBondContact O-N 2.96Å |
| 830 | F | 71.1 | Confident | 65.9 | Low | 130 Ų | 130 | 89 Ų | 89 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.4 | -30.5 | -179.2 | -161.4 | -104.7 | 0 | 0 | 0 | 112.2 | I826 I827 L834 | I826-F830 WeakPolarHBondContact O-CB 3.12Å; I826-F830 PolarHBondContact O-N 2.88Å; I827-F830 PolarHBondContact O-N 2.87Å; F830-L834 HydrophobicContact CD1-CD1 3.65Å; F830-L834 HydrophobicContact CD1-CG 4.28Å; F830-L834 HydrophobicContact CE1-CD1 3.58Å; F830-L834 HydrophobicContact CE1-CG 4.24Å; F830-L834 HydrophobicContact CZ-CD1 4.48Å; F830-L834 WeakPolarHBondContact O-CB 3.41Å; F830-L834 WeakPolarHBondContact O-CG 3.24Å; F830-L834 PolarHBondContact O-N 2.81Å |
| 831 | V | 73 | Confident | 65.1 | Low | 66 Ų | 66 | 89 Ų | 89 | 40% | 0.4 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -82.7 | -31.7 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | I827 I829 L835 | I827-V831 HydrophobicContact CG2-CG2 3.86Å; I827-V831 WeakPolarHBondContact O-CA 3.37Å; I827-V831 WeakPolarHBondContact O-CB 3.45Å; I827-V831 WeakPolarHBondContact O-CG2 3.5Å; I827-V831 PolarHBondContact O-N 2.85Å; I829-V831 PolarHBondContact O-N 2.82Å; V831-L835 HydrophobicContact CG1-CD1 3.8Å; V831-L835 HydrophobicContact CG1-CG 4.13Å; V831-L835 WeakPolarHBondContact O-CA 3.18Å; V831-L835 WeakPolarHBondContact O-CB 3.46Å; V831-L835 WeakPolarHBondContact O-CG 3.21Å; V831-L835 PolarHBondContact O-N 2.88Å |
| 832 | T | 68.1 | Low | 64.2 | Low | 66 Ų | 66 | 95.9 Ų | 95.9 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77 | -25 | 169.4 | 57 | 0 | 0 | 0 | 0 | 112.2 | V828 I829 R836 | V828-T832 HydrophobicContact CG1-CG2 4.17Å; V828-T832 WeakPolarHBondContact O-CA 3.24Å; V828-T832 WeakPolarHBondContact O-CB 3.31Å; V828-T832 WeakPolarHBondContact O-CG2 3.3Å; V828-T832 PolarHBondContact O-N 2.85Å; V828-T832 PolarHBondContact O-OG1 2.69Å; I829-T832 CarbonylContact O-C 3.58Å; I829-T832 PolarHBondContact O-N 2.98Å; I829-T832 PolarHBondContact O-OG1 3.24Å; T832-R836 WeakPolarHBondContact O-CA 3.36Å; T832-R836 WeakPolarHBondContact O-CB 3.44Å; T832-R836 WeakPolarHBondContact O-CG 3.36Å; T832-R836 PolarHBondContact O-N 3.49Å |
| 833 | V | 67.1 | Low | 62.9 | Low | 70 Ų | 70 | 102 Ų | 102 | 42% | 0.424 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.8 | -49 | 165.7 | 167.7 | 0 | 0 | 0 | 0 | 109.5 | I829 L835 R836 C837 | I829-V833 HydrophobicContact CG2-CG2 4.37Å; I829-V833 WeakPolarHBondContact O-CA 3.41Å; I829-V833 WeakPolarHBondContact O-CB 3.42Å; I829-V833 WeakPolarHBondContact O-CG2 3.39Å; I829-V833 PolarHBondContact O-N 2.96Å; V833-L835 VanDerWaalsContact C-N 3.29Å; V833-L835 PolarHBondContact O-N 3.36Å; V833-R836 CarbonylContact O-C 3.59Å; V833-R836 PolarHBondContact O-N 3.45Å; V833-R836 VanDerWaalsContact O-N 3.13Å; V833-C837 VanDerWaalsContact O-CB 3.28Å; V833-C837 WeakPolarHBondContact O-CB 3.41Å; V833-C837 PolarHBondContact O-N 3.49Å; V833-C837 PolarHBondContact O-SG 3.3Å |
| 834 | L | 65.9 | Low | 61.5 | Low | 83 Ų | 83 | 107.3 Ų | 107.3 | 44% | 0.435 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -28.8 | 174.4 | -77.8 | 172.2 | 0 | 0 | 0 | 113.1 | F830 R838 | F830-L834 HydrophobicContact CD1-CD1 3.65Å; F830-L834 HydrophobicContact CD1-CG 4.28Å; F830-L834 HydrophobicContact CE1-CD1 3.58Å; F830-L834 HydrophobicContact CE1-CG 4.24Å; F830-L834 HydrophobicContact CZ-CD1 4.48Å; F830-L834 WeakPolarHBondContact O-CB 3.41Å; F830-L834 WeakPolarHBondContact O-CG 3.24Å; F830-L834 PolarHBondContact O-N 2.81Å; L834-R838 WeakPolarHBondContact O-CB 3.45Å; L834-R838 WeakPolarHBondContact O-CG 3.39Å; L834-R838 PolarHBondContact O-N 3.41Å |
| 835 | L | 64.1 | Low | 59.9 | Low | 79 Ų | 79 | 107 Ų | 107 | 41% | 0.414 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -79.3 | -34.3 | 170.5 | -73.1 | 171 | 0 | 0 | 0 | 111.5 | V831 V833 C837 R838 H839 | V831-L835 HydrophobicContact CG1-CD1 3.8Å; V831-L835 HydrophobicContact CG1-CG 4.13Å; V831-L835 WeakPolarHBondContact O-CA 3.18Å; V831-L835 WeakPolarHBondContact O-CB 3.46Å; V831-L835 WeakPolarHBondContact O-CG 3.21Å; V831-L835 PolarHBondContact O-N 2.88Å; V833-L835 VanDerWaalsContact C-N 3.29Å; V833-L835 PolarHBondContact O-N 3.36Å; L835-C837 VanDerWaalsContact C-N 3.31Å; L835-R838 PolarHBondContact O-N 3.19Å; L835-H839 WeakPolarHBondContact O-CA 3.27Å; L835-H839 WeakPolarHBondContact O-CB 3.14Å; L835-H839 PolarHBondContact O-CD2 3.26Å; L835-H839 VanDerWaalsContact O-CD2 3.23Å; L835-H839 PolarHBondContact O-N 2.71Å |
| 836 | R | 55.5 | Low | 58.2 | Low | 200 Ų | 200 | 106.6 Ų | 106.6 | 76% | 0.755 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.5 | -29.2 | 167.9 | -82.5 | 179.8 | 170.9 | -163.3 | -1.5 | 111.9 | T832 V833 A840 | T832-R836 WeakPolarHBondContact O-CA 3.36Å; T832-R836 WeakPolarHBondContact O-CB 3.44Å; T832-R836 WeakPolarHBondContact O-CG 3.36Å; T832-R836 PolarHBondContact O-N 3.49Å; V833-R836 CarbonylContact O-C 3.59Å; V833-R836 PolarHBondContact O-N 3.45Å; V833-R836 VanDerWaalsContact O-N 3.13Å; R836-A840 WeakPolarHBondContact O-CA 3.48Å; R836-A840 WeakPolarHBondContact O-CB 3.31Å; R836-A840 PolarHBondContact O-N 3.34Å |
| 837 | C | 53.8 | Low | 56.4 | Low | 71 Ų | 71 | 110.7 Ų | 110.7 | 48% | 0.48 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -80.8 | -35.2 | 173.8 | -69.5 | 0 | 0 | 0 | 0 | 111.6 | V833 L835 S841 | V833-C837 VanDerWaalsContact O-CB 3.28Å; V833-C837 WeakPolarHBondContact O-CB 3.41Å; V833-C837 PolarHBondContact O-N 3.49Å; V833-C837 PolarHBondContact O-SG 3.3Å; L835-C837 VanDerWaalsContact C-N 3.31Å; C837-S841 VanDerWaalsContact O-CB 3.24Å; C837-S841 WeakPolarHBondContact O-CB 3.35Å; C837-S841 PolarHBondContact O-N 3.32Å; C837-S841 PolarHBondContact O-OG 3.27Å |
| 838 | R | 53.5 | Low | 54.2 | Low | 147 Ų | 147 | 117.4 Ų | 117.4 | 56% | 0.555 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.4 | -30.4 | 168.9 | -84.7 | 174.6 | 53.4 | 147.8 | -8.3 | 112.9 | L834 L835 S841 R842 | L834-R838 WeakPolarHBondContact O-CB 3.45Å; L834-R838 WeakPolarHBondContact O-CG 3.39Å; L834-R838 PolarHBondContact O-N 3.41Å; L835-R838 PolarHBondContact O-N 3.19Å; R838-S841 WeakPolarHBondContact CA-OG 3.43Å; R838-S841 PolarHBondContact O-OG 3.16Å; R838-R842 VanDerWaalsContact O-CB 3.23Å; R838-R842 WeakPolarHBondContact O-CB 3.34Å; R838-R842 WeakPolarHBondContact O-CG 3.45Å; R838-R842 PolarHBondContact O-N 3.27Å |
| 839 | H | 47.5 | Very low | 52.1 | Low | 122 Ų | 122 | 123.2 Ų | 123.2 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -77.4 | -39.5 | 169.4 | -84.9 | -103 | 0 | 0 | 0 | 110.8 | L835 S841 R842 F843 | L835-H839 WeakPolarHBondContact O-CA 3.27Å; L835-H839 WeakPolarHBondContact O-CB 3.14Å; L835-H839 PolarHBondContact O-CD2 3.26Å; L835-H839 VanDerWaalsContact O-CD2 3.23Å; L835-H839 PolarHBondContact O-N 2.71Å; H839-S841 VanDerWaalsContact C-N 3.34Å; H839-S841 PolarHBondContact O-N 3.38Å; H839-R842 CarbonylContact O-C 3.56Å; H839-R842 PolarHBondContact O-N 3.5Å; H839-F843 VanDerWaalsContact O-CB 3.3Å; H839-F843 WeakPolarHBondContact O-CB 3.44Å; H839-F843 PolarHBondContact O-N 3.38Å |
| 840 | A | 46.1 | Very low | 50 | Low | 56 Ų | 56 | 128 Ų | 128 | 46% | 0.463 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.3 | -36.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R836 K844 | R836-A840 WeakPolarHBondContact O-CA 3.48Å; R836-A840 WeakPolarHBondContact O-CB 3.31Å; R836-A840 PolarHBondContact O-N 3.34Å; A840-K844 WeakPolarHBondContact O-CB 3.4Å; A840-K844 PolarHBondContact O-N 3.13Å |
| 841 | S | 50.4 | Low | 47.9 | Very low | 68 Ų | 68 | 130.7 Ų | 130.7 | 48% | 0.476 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -78 | -24.8 | 174.8 | 70.8 | 0 | 0 | 0 | 0 | 113.5 | C837 R838 H839 A845 | C837-S841 VanDerWaalsContact O-CB 3.24Å; C837-S841 WeakPolarHBondContact O-CB 3.35Å; C837-S841 PolarHBondContact O-N 3.32Å; C837-S841 PolarHBondContact O-OG 3.27Å; R838-S841 WeakPolarHBondContact CA-OG 3.43Å; R838-S841 PolarHBondContact O-OG 3.16Å; H839-S841 VanDerWaalsContact C-N 3.34Å; H839-S841 PolarHBondContact O-N 3.38Å; S841-A845 WeakPolarHBondContact O-CB 3.49Å; S841-A845 PolarHBondContact O-N 2.92Å |
| 842 | R | 45 | Very low | 46.1 | Very low | 176 Ų | 176 | 131 Ų | 131 | 66% | 0.664 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -88.2 | -23.3 | 170.9 | -71.4 | -172 | 169.4 | -164.3 | -5.2 | 114.7 | R838 H839 A845 A846 | R838-R842 VanDerWaalsContact O-CB 3.23Å; R838-R842 WeakPolarHBondContact O-CB 3.34Å; R838-R842 WeakPolarHBondContact O-CG 3.45Å; R838-R842 PolarHBondContact O-N 3.27Å; H839-R842 CarbonylContact O-C 3.56Å; H839-R842 PolarHBondContact O-N 3.5Å; R842-A845 PolarHBondContact O-N 3.16Å; R842-A846 WeakPolarHBondContact O-CB 3.44Å; R842-A846 PolarHBondContact O-N 3.2Å |
| 843 | F | 41.3 | Very low | 44.1 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -82.9 | -14.5 | 168 | -110.3 | -97.5 | 0 | 0 | 0 | 113.3 | H839 | H839-F843 VanDerWaalsContact O-CB 3.3Å; H839-F843 WeakPolarHBondContact O-CB 3.44Å; H839-F843 PolarHBondContact O-N 3.38Å |
| 844 | K | 40.8 | Very low | 42.2 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 86% | 0.861 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -91.5 | 0.5 | 163.2 | -76 | -167.7 | 172.3 | -173 | 0 | 114.4 | A840 | A840-K844 WeakPolarHBondContact O-CB 3.4Å; A840-K844 PolarHBondContact O-N 3.13Å |
| 845 | A | 41.6 | Very low | 40.2 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -124.2 | 5.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S841 R842 | S841-A845 WeakPolarHBondContact O-CB 3.49Å; S841-A845 PolarHBondContact O-N 2.92Å; R842-A845 PolarHBondContact O-N 3.16Å |
| 846 | A | 37.9 | Very low | 38.4 | Very low | 77 Ų | 77 | 149.3 Ų | 149.3 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -133.1 | 11.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | R842 | R842-A846 WeakPolarHBondContact O-CB 3.44Å; R842-A846 PolarHBondContact O-N 3.2Å |
| 847 | Q | 35 | Very low | 36.9 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -159.6 | 131.5 | 148.7 | -75.8 | -150.2 | -13.4 | 0 | 0 | 107 | ||
| 848 | R | 31.1 | Very low | 36 | Very low | 234 Ų | 234 | 147.9 Ų | 147.9 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | cis | -99.9 | 133 | 20.1 | -62.4 | 172 | 172.6 | 168.3 | -4.8 | 114.4 | ||||
| 849 | K | 30.8 | Very low | 34.7 | Very low | 202 Ų | 202 | 148 Ų | 148 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -145.5 | 120.4 | 143.2 | -155.9 | 170.1 | -171.1 | 174.4 | 0 | 107.6 | ||
| 850 | K | 29.8 | Very low | 33.8 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 65 | 134.5 | -153.6 | -54.3 | -176.3 | 177 | -174.8 | 0 | 112.6 | ||
| 851 | Q | 28.6 | Very low | 32.9 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | S | Bend | cis | -102.2 | 156.1 | -15.8 | -69.8 | 167 | -36.8 | 0 | 0 | 109.7 | ||
| 852 | G | 33.3 | Very low | 31.8 | Very low | 73 Ų | 73 | 153.2 Ų | 153.2 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | -144.1 | 165.1 | -4.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 853 | A | 27.1 | Very low | 31 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | -89.3 | 157.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 854 | E | 27 | Very low | 30.4 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | cis | -131.3 | 164.1 | 19.3 | -74.3 | 170.4 | 119.8 | 0 | 0 | 113.2 | ||||
| 855 | W | 25 | Very low | 29.9 | Very low | 234 Ų | 234 | 147.5 Ų | 147.5 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | trans | -1.3 | 136.6 | 154.6 | -56.5 | 72.8 | 0 | 0 | 0 | 117.3 | ||||
| 856 | M | 25.6 | Very low | 29.2 | Very low | 179 Ų | 179 | 148.8 Ų | 148.8 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | cis | -149.2 | 170.1 | 41.3 | -67 | 178 | 178.6 | 0 | 0 | 113.4 | ||||
| 857 | S | 24.6 | Very low | 28.6 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -96.4 | 128.1 | -177.5 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 858 | P | 33.1 | Very low | 28.4 | Very low | 124 Ų | 124 | 148 Ų | 148 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | trans | -90 | 166.8 | 168.5 | 36.9 | -34.4 | 0 | 0 | 0 | 112.4 | ||||
| 859 | N | 27 | Very low | 28.2 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -107.1 | 163.7 | 170.3 | -150.5 | -7.1 | 0 | 0 | 0 | 111.5 | ||||
| 860 | S | 29.5 | Very low | 27.9 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -91.6 | 149.3 | -160.5 | 61.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 861 | S | 26.1 | Very low | 27.7 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -174.8 | 157.2 | 143.1 | 34.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 862 | L | 27.8 | Very low | 27.6 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | cis | -173.6 | 133.3 | -32.1 | -110.4 | 166.6 | 0 | 0 | 0 | 106.1 | ||||
| 863 | L | 28.7 | Very low | 29 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | 64 | 159.6 | 158.2 | -54.2 | 166.3 | 0 | 0 | 0 | 117.4 | ||||
| 864 | N | 28.4 | Very low | 29 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | cis | -164.6 | 146.9 | -30.8 | -113 | 4.9 | 0 | 0 | 0 | 110 | ||||
| 865 | F | 29.3 | Very low | 29 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 65.2 | 154.3 | 145.2 | -78.7 | -125.5 | 0 | 0 | 0 | 119.4 | ||||
| 866 | V | 28.2 | Very low | 29.7 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | cis | -165.9 | 164.1 | -23.1 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 867 | T | 25.6 | Very low | 29.8 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 64% | 0.644 | 75% | 0.753 | S | S | * | * | trans | 68.5 | 122.8 | 159.3 | 51.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 868 | I | 29.1 | Very low | 30 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | 86.5 | 124.6 | 122.5 | -67.6 | 170.5 | 0 | 0 | 0 | 122.7 | |||||
| 869 | E | 28 | Very low | 29.9 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | trans | 40.8 | 139 | 150.6 | -64.7 | 177.9 | 161.6 | 0 | 0 | 124.1 | ||||
| 870 | G | 24.7 | Very low | 31.2 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 81% | 0.814 | 75% | 0.747 | S | S | * | * | trans | 178.2 | 138.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 871 | N | 25.6 | Very low | 31.2 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | trans | -88.7 | 167.7 | -172.7 | -93.6 | -47 | 0 | 0 | 0 | 115.5 | ||||
| 872 | K | 25.7 | Very low | 31.2 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | -46.7 | 170.6 | 153 | -78.1 | -175.2 | 174.9 | -174.4 | 0 | 113.8 | ||||
| 873 | P | 62 | Low | 31.2 | Very low | 101 Ų | 101 | 134 Ų | 134 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | cis | -134.7 | -168.8 | -36.2 | 36.6 | -17.2 | 0 | 0 | 0 | 110.9 | ||||
| 874 | D | 28.1 | Very low | 31.2 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | -179 | 158.5 | 117.9 | -96.6 | -18.5 | 0 | 0 | 0 | 113.2 | |||||
| 875 | D | 27.8 | Very low | 31.1 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -98.3 | 154.5 | 173 | -157.6 | -1 | 0 | 0 | 0 | 107.9 | A877 | D875-A877 PolarHBondContact OD1-N 3.06Š| ||
| 876 | P | 39.7 | Very low | 31.1 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | -148.8 | 127.1 | 85.8 | 35.2 | -15.6 | 0 | 0 | 0 | 116.1 | |||||
| 877 | A | 27.6 | Very low | 31.1 | Very low | 65 Ų | 65 | 135.6 Ų | 135.6 | 54% | 0.537 | 77% | 0.77 | S | S | . | * | 29.4 | 124 | 129.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | D875 | D875-A877 PolarHBondContact OD1-N 3.06Š| |||
| 878 | H | 28.6 | Very low | 32.4 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | -163.5 | 140.7 | 110.6 | -107.1 | -65.9 | 0 | 0 | 0 | 114.4 | |||||
| 879 | E | 30.7 | Very low | 32.7 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -141.7 | 172.1 | 166.5 | -119.4 | -160.3 | -154.4 | 0 | 0 | 106.2 | ||||
| 880 | P | 54.1 | Low | 32.8 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 59% | 0.591 | 76% | 0.759 | S | S | * | * | cis | -137 | -152.5 | -19.4 | 27 | -1.4 | 0 | 0 | 0 | 112.2 | ||||
| 881 | I | 29.5 | Very low | 33.1 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | 93.6 | 128.7 | 146.2 | -72 | 163.3 | 0 | 0 | 0 | 121.6 | ||||
| 882 | N | 26.8 | Very low | 33.4 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | 61.5 | 150.4 | 159.7 | -65.8 | -12.5 | 0 | 0 | 0 | 121.7 | ||||
| 883 | G | 27.7 | Very low | 33.7 | Very low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | cis | 134.6 | 106.6 | -17 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 884 | T | 27.9 | Very low | 32.2 | Very low | 132 Ų | 132 | 135 Ų | 135 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -165.9 | 122.5 | 161.3 | 22.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 885 | I | 27.2 | Very low | 32.3 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | 89.5 | 109.8 | 58.2 | -69.3 | 168.9 | 0 | 0 | 0 | 114.2 | |||||
| 886 | S | 27.8 | Very low | 32.4 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -156.9 | 150.3 | 138.1 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 887 | L | 28 | Very low | 31.8 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -164.8 | 170 | -173 | -90.9 | 170.9 | 0 | 0 | 0 | 107.5 | ||||
| 888 | P | 54.1 | Low | 31.9 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -115.3 | -142.1 | -12.6 | 26.2 | -1.1 | 0 | 0 | 0 | 109.2 | ||||
| 889 | T | 35.1 | Very low | 31.9 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 57% | 0.571 | 76% | 0.76 | S | S | * | * | cis | -158 | 174.5 | 2.5 | -15.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 890 | E | 30.3 | Very low | 32 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | 99.8 | 141.6 | 121.1 | -94 | 150.9 | -103.3 | 0 | 0 | 114.9 | |||||
| 891 | L | 31.3 | Very low | 30.8 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 67% | 0.665 | 77% | 0.767 | S | S | * | * | cis | -161.4 | 130.6 | -40.7 | -153.6 | 98 | 0 | 0 | 0 | 110.1 | ||||
| 892 | E | 30.6 | Very low | 30.6 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | 54.7 | 167.9 | 158.7 | -76.8 | 171.7 | -169.8 | 0 | 0 | 119.6 | ||||
| 893 | E | 33.8 | Very low | 30.8 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | -152.5 | 169.3 | -49.2 | -126.4 | -153.5 | 149.8 | 0 | 0 | 111.4 | ||||
| 894 | Q | 30.1 | Very low | 31.1 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | 25.2 | 139.5 | 156.5 | -60.1 | -177.7 | 36.9 | 0 | 0 | 123.7 | ||||
| 895 | G | 29.4 | Very low | 32.3 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | -173.4 | 128.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 896 | I | 29.4 | Very low | 32.4 | Very low | 185 Ų | 185 | 139.2 Ų | 139.2 | 95% | 0.949 | 76% | 0.763 | S | S | * | * | trans | -110.1 | 142.7 | -177.9 | -64.8 | 167 | 0 | 0 | 0 | 110.6 | ||||
| 897 | G | 28.4 | Very low | 32.5 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -162.7 | 138.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 898 | R | 28.3 | Very low | 32.6 | Very low | 226 Ų | 226 | 136.6 Ų | 136.6 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | -156.1 | 157.9 | 177.5 | -166.8 | -178.1 | -172.6 | -172.2 | 4.4 | 109.8 | ||||
| 899 | F | 29.8 | Very low | 31.3 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | 98.5 | 153.6 | 171 | -75.6 | -80.3 | 0 | 0 | 0 | 119.3 | ||||
| 900 | D | 32.4 | Very low | 30.9 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | -79.2 | -174.2 | -169.8 | -41.9 | -96.9 | 0 | 0 | 0 | 114.1 | ||||
| 901 | W | 28.5 | Very low | 31.9 | Very low | 224 Ų | 224 | 143 Ų | 143 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | -172.6 | 163.1 | 109.6 | -100.5 | 100 | 0 | 0 | 0 | 113.3 | |||||
| 902 | N | 26.2 | Very low | 31.7 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -79.7 | 159.3 | -178.9 | -59.6 | -83.4 | 0 | 0 | 0 | 113.7 | ||||
| 903 | A | 30.9 | Very low | 31.4 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | 178.2 | 153.9 | 118.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 904 | T | 32.8 | Very low | 32.3 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -101.1 | -162.9 | 171.1 | 55.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 905 | P | 53.3 | Low | 32.3 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | cis | -129.2 | -177.9 | -2 | 31.7 | -6.2 | 0 | 0 | 0 | 114 | ||||
| 906 | T | 30 | Very low | 32.4 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | 175.8 | 162.1 | 80.2 | 47 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 907 | T | 28.6 | Very low | 32.5 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | cis | -168.3 | -170 | -19.7 | 40.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 908 | T | 32 | Very low | 32.7 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | cis | -161 | 158.6 | 7.8 | -16.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 909 | F | 26.1 | Very low | 32.8 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | 67.1 | 173.3 | 159.3 | -76.8 | -64.5 | 0 | 0 | 0 | 122 | ||||
| 910 | K | 26.8 | Very low | 32.7 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -167.9 | -175.4 | -134.6 | -91.4 | -170.8 | 178.4 | -176.7 | 0 | 110 | ||||
| 911 | P | 50.1 | Low | 32.6 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -139.9 | 169.3 | -45 | 39.6 | -23.7 | 0 | 0 | 0 | 114.5 | ||||
| 912 | S | 27.9 | Very low | 32.7 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -169.1 | 154.3 | 144.7 | 51 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 913 | S | 25.5 | Very low | 32.9 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -146.2 | -175.8 | 175.6 | 66 | 0 | 0 | 0 | 0 | 108 | ||||
| 914 | P | 52.1 | Low | 33 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | cis | -136.9 | 175.4 | 1.8 | 43.5 | -26.6 | 0 | 0 | 0 | 116.1 | ||||
| 915 | D | 30.2 | Very low | 33.6 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | -175.6 | 136.7 | 120 | -94.3 | -20.6 | 0 | 0 | 0 | 108.5 | |||||
| 916 | L | 30.8 | Very low | 32.6 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | 60 | 126.4 | 73.7 | -87.7 | 74.7 | 0 | 0 | 0 | 113.6 | |||||
| 917 | A | 31.5 | Very low | 32.6 | Very low | 82 Ų | 82 | 142 Ų | 142 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | cis | -158.2 | 160.1 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 918 | R | 32.3 | Very low | 32.8 | Very low | 219 Ų | 219 | 140.9 Ų | 140.9 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 8.4 | 146 | 150.9 | -45.2 | 177.4 | -176.3 | 170.9 | 0.3 | 118.8 | ||||
| 919 | H | 30.8 | Very low | 32.8 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | -165.9 | 149.3 | 55.3 | -125.2 | -77.9 | 0 | 0 | 0 | 114.7 | |||||
| 920 | Y | 28.4 | Very low | 33 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -66.1 | 154.5 | 153.6 | -76.2 | -104.9 | 0 | 0 | 0 | 109.1 | ||||
| 921 | K | 29.4 | Very low | 33.3 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | 176.5 | 153.3 | 59.9 | -147.1 | 173.6 | -171.6 | -177.5 | 0 | 113 | |||||
| 922 | S | 30.9 | Very low | 32.3 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | 61.7 | 142.5 | 142.9 | 57.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 923 | A | 29.9 | Very low | 32.6 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | 99.2 | 121.2 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 924 | S | 34.2 | Very low | 32.8 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -79.2 | 170.8 | 164.3 | -36 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 925 | P | 45.6 | Very low | 31.8 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -131.3 | 145.4 | 134.2 | 35.5 | -25.6 | 0 | 0 | 0 | 113.3 | ||||
| 926 | Q | 30.6 | Very low | 33 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -82.7 | 161.7 | 163.4 | -71.8 | 173.8 | -50.4 | 0 | 0 | 110.5 | ||||
| 927 | S | 31.7 | Very low | 32.9 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -97.3 | 125.7 | 172.1 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 928 | A | 31.4 | Very low | 33 | Very low | 96 Ų | 96 | 149.6 Ų | 149.6 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | -117.9 | 132.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 929 | F | 31.9 | Very low | 33.1 | Very low | 209 Ų | 209 | 143.9 Ų | 143.9 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -77.4 | 145.1 | 170.9 | -87.6 | -102.6 | 0 | 0 | 0 | 110.7 | ||||
| 930 | H | 31.6 | Very low | 33.2 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -145.7 | 133.2 | 159 | -109.5 | -81.2 | 0 | 0 | 0 | 111.5 | ||||
| 931 | L | 32.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 153.7 | 176.2 | -78.9 | 153.7 | 0 | 0 | 0 | 111.8 | ||||
| 932 | K | 28.9 | Very low | 33.7 | Very low | 210 Ų | 210 | 139.8 Ų | 139.8 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | trans | -154.7 | 149.8 | 153.7 | -121.9 | 179.7 | -176.5 | -176.9 | 0 | 111.2 | ||||
| 933 | A | 33.3 | Very low | 33.7 | Very low | 83 Ų | 83 | 141.8 Ų | 141.8 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | trans | -129.8 | 147.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 934 | D | 31.6 | Very low | 33.8 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | -175.6 | 160.8 | 122.1 | -95.8 | -29.2 | 0 | 0 | 0 | 112.1 | |||||
| 935 | T | 30.2 | Very low | 33.6 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -106.2 | -171.1 | -174.6 | 24.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 936 | P | 55.6 | Low | 32.8 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | cis | -144.4 | -158.7 | 16 | 38.2 | -12.9 | 0 | 0 | 0 | 117.1 | ||||
| 937 | V | 29.3 | Very low | 32.7 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | trans | 86.3 | 94.9 | 169.2 | -164.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 938 | S | 32.3 | Very low | 33 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 77.8 | 141.7 | 61.6 | -153.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 939 | V | 34.1 | Very low | 33.9 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | -164.7 | 141 | 55.6 | 170.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 940 | K | 33.8 | Very low | 34 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | trans | 67.3 | 161.6 | 159.9 | -78 | 165.1 | -159.6 | 169.5 | 0 | 118.8 | ||||
| 941 | K | 35.4 | Very low | 34.1 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | cis | -179.4 | 162.6 | -29.8 | -112.5 | -163 | -180 | -150.1 | 0 | 106.5 | ||||
| 942 | H | 32.8 | Very low | 33.9 | Very low | 122 Ų | 122 | 137 Ų | 137 | 57% | 0.565 | 73% | 0.732 | S | S | * | * | cis | -165.6 | 175 | -3.7 | -138 | 9.1 | 0 | 0 | 0 | 110.8 | ||||
| 943 | H | 31.2 | Very low | 34 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | trans | 70.4 | 166.6 | 154.2 | -67.6 | -14.7 | 0 | 0 | 0 | 120.6 | ||||
| 944 | V | 31.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | -167.2 | 166.5 | -85.2 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 945 | I | 30.5 | Very low | 33.7 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 72% | 0.723 | 73% | 0.726 | S | S | * | * | trans | 84.8 | 133.3 | 149.6 | -82.8 | 167.5 | 0 | 0 | 0 | 121 | ||||
| 946 | Q | 28.6 | Very low | 33.7 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | 61.7 | 114.1 | 155 | -78.8 | 174.2 | -85.7 | 0 | 0 | 124.7 | ||||
| 947 | E | 27.9 | Very low | 32.5 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | 73.4 | 149.3 | 117.5 | -68.5 | 175.5 | 151.2 | 0 | 0 | 124.5 | |||||
| 948 | L | 37.8 | Very low | 32.6 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | trans | -65.2 | 176.3 | 168.9 | -66.6 | 165.4 | 0 | 0 | 0 | 110.8 | ||||
| 949 | P | 50.9 | Low | 32.7 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | cis | -160.4 | -161.5 | 34.5 | 42.8 | -17 | 0 | 0 | 0 | 119.2 | ||||
| 950 | L | 34.5 | Very low | 32.7 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 85 | 111.3 | 149.5 | -72.2 | 170.2 | 0 | 0 | 0 | 122.3 | ||||
| 951 | D | 33.5 | Very low | 32.7 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | 90.7 | 121.3 | 118 | -84.4 | 19.8 | 0 | 0 | 0 | 126.4 | |||||
| 952 | N | 28.3 | Very low | 32.4 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | 104.3 | 128.2 | 120.8 | -83.2 | -33.2 | 0 | 0 | 0 | 124.6 | |||||
| 953 | T | 31.1 | Very low | 32.4 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | trans | 75.5 | 136.7 | 142 | 52.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 954 | F | 28.2 | Very low | 32.4 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | cis | -177.6 | 161.3 | 23.7 | -135.5 | -55.7 | 0 | 0 | 0 | 112.2 | ||||
| 955 | V | 30.9 | Very low | 32.3 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | 82.8 | 117 | 157.2 | -167.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 956 | G | 28.9 | Very low | 32.3 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | trans | 98.3 | 122 | 140.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 957 | G | 30.5 | Very low | 32.3 | Very low | 82 Ų | 82 | 132.3 Ų | 132.3 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | cis | 135.4 | 103.1 | -16.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 958 | C | 30.7 | Very low | 32.5 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 91% | 0.912 | 76% | 0.756 | S | S | * | * | trans | -165.5 | 145.5 | 152.9 | -149.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 959 | D | 34.7 | Very low | 32.2 | Very low | 148 Ų | 148 | 125.6 Ų | 125.6 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | -91 | 156.7 | -174.9 | -65.3 | -80.9 | 0 | 0 | 0 | 114.6 | ||||
| 960 | T | 34.3 | Very low | 31.3 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | -162.1 | 134.3 | 113.5 | 11.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 961 | L | 33.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 128 Ų | 128 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | -31.9 | 153.4 | 165.8 | -63.5 | 147 | 0 | 0 | 0 | 115.4 | ||||
| 962 | S | 30.9 | Very low | 31 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | -172 | 132.1 | 51.4 | -176 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 963 | K | 32.5 | Very low | 31 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | trans | 39.1 | 138.8 | 134.3 | -60.9 | 173.2 | -176.5 | 169.1 | 0 | 120.3 | ||||
| 964 | R | 29.7 | Very low | 31 | Very low | 223 Ų | 223 | 129.8 Ų | 129.8 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | cis | -169.5 | 163.7 | 2.7 | -136.7 | -176.5 | -175.4 | 178.5 | -0.8 | 112.3 | ||||
| 965 | S | 30 | Very low | 31.2 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 57% | 0.566 | 76% | 0.757 | S | S | * | * | trans | 24.6 | 117.7 | 146.7 | 55.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 966 | S | 30.6 | Very low | 31.2 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | 69.1 | 152.6 | 69.4 | 86.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 967 | T | 29.7 | Very low | 31.2 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | cis | -162.5 | 159.1 | 20.3 | -22.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 968 | S | 31.3 | Very low | 31.1 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 50.8 | 150.6 | 143.8 | 61.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 969 | S | 31.6 | Very low | 31.2 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | cis | 177.6 | 149.7 | -17 | 50.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 970 | D | 31.7 | Very low | 31 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 60.5 | 159 | 152.6 | -56.7 | -18.5 | 0 | 0 | 0 | 118.9 | ||||
| 971 | H | 31.7 | Very low | 30.8 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | cis | -175.7 | -175 | -38.7 | -119.9 | -63.1 | 0 | 0 | 0 | 105 | ||||
| 972 | F | 29.6 | Very low | 30.7 | Very low | 194 Ų | 194 | 123 Ų | 123 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | trans | 77.9 | 124.6 | -168.3 | -68 | -93.2 | 0 | 0 | 0 | 114.8 | ||||
| 973 | S | 29.8 | Very low | 30.7 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | cis | 117 | 131.9 | 4.9 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 974 | A | 30.9 | Very low | 30.7 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | 64.1 | 145.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 975 | S | 31.7 | Very low | 30.8 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | cis | -163 | -175 | -14.9 | 55.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 976 | E | 30.2 | Very low | 30.9 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -152.7 | -139.2 | 11.6 | -151.4 | 145.5 | 114.6 | 0 | 0 | 113.1 | ||||
| 977 | S | 28.8 | Very low | 30.9 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | trans | -81.2 | 141.1 | -169.3 | 53.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 978 | S | 29.4 | Very low | 32 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 64.5 | 157.5 | 138.9 | 78.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 979 | S | 31.8 | Very low | 32.1 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | cis | -150.8 | -175.6 | 19.6 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 980 | Q | 32 | Very low | 32.3 | Very low | 194 Ų | 194 | 133.4 Ų | 133.4 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | -61.8 | 156.2 | 169.8 | -58 | 150.4 | -23.7 | 0 | 0 | 111 | ||||
| 981 | G | 29.8 | Very low | 32.5 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | cis | 147.9 | 160.9 | 1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 982 | G | 31 | Very low | 32.8 | Very low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 119.7 | 121.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 983 | F | 31.6 | Very low | 33.6 | Very low | 198 Ų | 198 | 138 Ų | 138 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | 39.1 | 115.7 | 134.5 | -73.9 | -79.9 | 0 | 0 | 0 | 119.6 | ||||
| 984 | K | 32.5 | Very low | 33.8 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | -174.6 | 126.8 | 71.8 | -112.5 | 161.2 | -175.3 | 174.6 | 0 | 115.6 | |||||
| 985 | T | 31.9 | Very low | 34 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | trans | 37.9 | 135.2 | 130.2 | 62.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 986 | K | 31 | Very low | 34.1 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | trans | 81.7 | 125.7 | 148 | -71.9 | 174.7 | 178.5 | -176.4 | 0 | 119.6 | ||||
| 987 | G | 31.6 | Very low | 34.3 | Very low | 68 Ų | 68 | 143.2 Ų | 143.2 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -85.3 | -159.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 988 | P | 51.3 | Low | 34.7 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | -154.2 | 175.9 | 91.8 | 42 | -24.9 | 0 | 0 | 0 | 117.5 | |||||
| 989 | M | 33.6 | Very low | 35 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | 60.5 | 114.9 | 144.9 | -79.7 | 179.6 | 166.9 | 0 | 0 | 120.7 | ||||
| 990 | H | 36 | Very low | 35.2 | Very low | 156 Ų | 156 | 152 Ų | 152 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | 97.6 | 157.2 | 100.8 | -82.3 | -19 | 0 | 0 | 0 | 112.9 | |||||
| 991 | T | 37 | Very low | 35.5 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 64% | 0.644 | 80% | 0.802 | S | S | * | * | cis | -147.9 | 133.2 | 3.9 | 1.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 992 | R | 37 | Very low | 36 | Very low | 229 Ų | 229 | 154.7 Ų | 154.7 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | 75.8 | 111 | 87.5 | -174.6 | -162.9 | -170.8 | -179.2 | 6.5 | 115.2 | |||||
| 993 | Q | 47.1 | Very low | 36.4 | Very low | 260 Ų | 260 | 162.5 Ų | 162.5 | 100% | 1.215 | 81% | 0.81 | S | S | * | * | -135 | 0 | 124.5 | -123.1 | 176.6 | 0.6 | 0 | 0 | 108.6 |
Retrieved 993 of 993 residues in 1779 ms
(Link to these results)