| 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 | 48.3 | Very low | 54.8 | Low | 207 Ų | 207 | 125.3 Ų | 125.3 | 100% | 1.02 | 65% | 0.646 | S | S | * | * | 0 | -49.3 | 0 | -85.4 | -177 | -175.7 | 0 | 0 | 113.2 | A3 R4 L5 | M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.15Å; M1-R4 PolarHBondContact O-N 3.41Å; M1-L5 PolarHBondContact O-N 2.95Å | |||
| 2 | K | 52 | Low | 54.3 | Low | 192 Ų | 192 | 123.7 Ų | 123.7 | 84% | 0.835 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -56.7 | -37.6 | 179.5 | -72.5 | -176.3 | 176.1 | -178 | 0 | 114.5 | R4 L5 T6 | K2-R4 VanDerWaalsContact C-N 3.33Å; K2-R4 PolarHBondContact O-N 3.09Å; K2-L5 PolarHBondContact O-N 3.1Å; K2-T6 PolarHBondContact O-N 3.14Å; K2-T6 PolarHBondContact O-OG1 3.04Å |
| 3 | A | 56.5 | Low | 53.6 | Low | 79 Ų | 79 | 124.1 Ų | 124.1 | 65% | 0.653 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.1 | -20.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1 T6 | M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.15Å; A3-T6 PolarHBondContact O-OG1 2.98Å |
| 4 | R | 54.2 | Low | 53 | Low | 202 Ų | 202 | 124.3 Ų | 124.3 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -83.1 | -29.4 | 174.4 | -79.6 | -171.9 | 178.4 | -179.8 | -1 | 111.9 | M1 K2 L8 | M1-R4 PolarHBondContact O-N 3.41Å; K2-R4 VanDerWaalsContact C-N 3.33Å; K2-R4 PolarHBondContact O-N 3.09Å; R4-L8 WeakPolarHBondContact O-CB 3.37Å; R4-L8 WeakPolarHBondContact O-CD1 3.4Å; R4-L8 PolarHBondContact O-N 3.13Å; R4-L8 VanDerWaalsContact O-N 3.12Å |
| 5 | L | 57.4 | Low | 52.4 | Low | 128 Ų | 128 | 123.6 Ų | 123.6 | 67% | 0.67 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.7 | -36.5 | 177.7 | -111.4 | 90.2 | 0 | 0 | 0 | 112.4 | M1 K2 L8 S9 | M1-L5 PolarHBondContact O-N 2.95Å; K2-L5 PolarHBondContact O-N 3.1Å; L5-L8 PolarHBondContact O-N 3.32Å; L5-S9 PolarHBondContact O-N 3.36Å |
| 6 | T | 62.8 | Low | 52 | Low | 81 Ų | 81 | 126.8 Ų | 126.8 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.6 | -36.8 | 175.4 | 47 | 0 | 0 | 0 | 0 | 111.8 | K2 A3 S9 L10 | K2-T6 PolarHBondContact O-N 3.14Å; K2-T6 PolarHBondContact O-OG1 3.04Å; A3-T6 PolarHBondContact O-OG1 2.98Å; T6-S9 PolarHBondContact O-N 3.44Å; T6-S9 PolarHBondContact O-OG 2.92Å; T6-L10 WeakPolarHBondContact O-CB 2.98Å; T6-L10 PolarHBondContact O-N 3.18Å |
| 7 | L | 56.8 | Low | 51.5 | Low | 126 Ų | 126 | 125.6 Ų | 125.6 | 66% | 0.66 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.1 | -38.2 | 174.7 | -149 | 85.7 | 0 | 0 | 0 | 112 | L11 | L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 PolarHBondContact O-N 3.33Å |
| 8 | L | 55.6 | Low | 51.2 | Low | 99 Ų | 99 | 127.8 Ų | 127.8 | 52% | 0.518 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -72.5 | -32.3 | 175.8 | -96.1 | 142.1 | 0 | 0 | 0 | 113 | R4 L5 L11 H12 | R4-L8 WeakPolarHBondContact O-CB 3.37Å; R4-L8 WeakPolarHBondContact O-CD1 3.4Å; R4-L8 PolarHBondContact O-N 3.13Å; R4-L8 VanDerWaalsContact O-N 3.12Å; L5-L8 PolarHBondContact O-N 3.32Å; L8-L11 PolarHBondContact O-N 2.85Å; L8-H12 WeakPolarHBondContact O-CB 3.48Å; L8-H12 PolarHBondContact O-N 2.77Å |
| 9 | S | 56.3 | Low | 51.4 | Low | 59 Ų | 59 | 125.3 Ų | 125.3 | 41% | 0.413 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -73.5 | -35.7 | 172.7 | 79.9 | 0 | 0 | 0 | 0 | 111.6 | L5 T6 H12 L13 | L5-S9 PolarHBondContact O-N 3.36Å; T6-S9 PolarHBondContact O-N 3.44Å; T6-S9 PolarHBondContact O-OG 2.92Å; S9-H12 PolarHBondContact O-N 3.17Å; S9-L13 WeakPolarHBondContact O-CB 3.48Å; S9-L13 PolarHBondContact O-N 3.05Å |
| 10 | L | 52.9 | Low | 52.3 | Low | 111 Ų | 111 | 123.5 Ų | 123.5 | 58% | 0.581 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.6 | -40.8 | 169.1 | -107.9 | 93 | 0 | 0 | 0 | 111.3 | T6 L13 L14 | T6-L10 WeakPolarHBondContact O-CB 2.98Å; T6-L10 PolarHBondContact O-N 3.18Å; L10-L13 PolarHBondContact O-N 3.32Å; L10-L14 WeakPolarHBondContact O-CB 3.2Å; L10-L14 WeakPolarHBondContact O-CD1 3.06Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.75Å |
| 11 | L | 50.6 | Low | 53.8 | Low | 94 Ų | 94 | 117.9 Ų | 117.9 | 49% | 0.492 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.2 | -39.8 | 176.3 | -146.1 | 90.7 | 0 | 0 | 0 | 111.5 | L7 L8 L14 I15 | L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 PolarHBondContact O-N 3.33Å; L8-L11 PolarHBondContact O-N 2.85Å; L11-L14 PolarHBondContact O-N 3.11Å; L11-I15 HydrophobicContact CD2-CD1 3.98Å; L11-I15 HydrophobicContact CG-CD1 4.05Å; L11-I15 WeakPolarHBondContact O-CB 3.24Å; L11-I15 WeakPolarHBondContact O-CD1 3.45Å; L11-I15 WeakPolarHBondContact O-CG1 3.49Å; L11-I15 PolarHBondContact O-N 3.24Å |
| 12 | H | 48 | Very low | 55.6 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71 | -34.6 | 175.3 | -97.6 | -63.7 | 0 | 0 | 0 | 113 | L8 S9 L14 I15 F16 | L8-H12 WeakPolarHBondContact O-CB 3.48Å; L8-H12 PolarHBondContact O-N 2.77Å; S9-H12 PolarHBondContact O-N 3.17Å; H12-L14 VanDerWaalsContact C-N 3.34Å; H12-I15 PolarHBondContact O-N 3.31Å; H12-F16 AromaticContact ND1-CE2 3.84Å; H12-F16 WeakPolarHBondContact O-CD2 3.16Å; H12-F16 PolarHBondContact O-N 2.62Å |
| 13 | L | 46 | Very low | 57.3 | Low | 129 Ų | 129 | 103.2 Ų | 103.2 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.3 | -31.2 | 170.7 | -101.4 | 125 | 0 | 0 | 0 | 112.2 | S9 L10 V17 | S9-L13 WeakPolarHBondContact O-CB 3.48Å; S9-L13 PolarHBondContact O-N 3.05Å; L10-L13 PolarHBondContact O-N 3.32Å; L13-V17 WeakPolarHBondContact O-CG2 3.28Å |
| 14 | L | 44.5 | Very low | 58.7 | Low | 127 Ų | 127 | 103.1 Ų | 103.1 | 67% | 0.665 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.2 | -31.4 | 173.5 | -82 | 156.9 | 0 | 0 | 0 | 112.7 | L10 L11 H12 | L10-L14 WeakPolarHBondContact O-CB 3.2Å; L10-L14 WeakPolarHBondContact O-CD1 3.06Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.75Å; L11-L14 PolarHBondContact O-N 3.11Å; H12-L14 VanDerWaalsContact C-N 3.34Å |
| 15 | I | 45.1 | Very low | 59.9 | Low | 114 Ų | 114 | 95.3 Ų | 95.3 | 59% | 0.585 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -84.4 | -25.8 | -176.2 | -67.7 | 164 | 0 | 0 | 0 | 113.1 | L11 H12 V17 | L11-I15 HydrophobicContact CD2-CD1 3.98Å; L11-I15 HydrophobicContact CG-CD1 4.05Å; L11-I15 WeakPolarHBondContact O-CB 3.24Å; L11-I15 WeakPolarHBondContact O-CD1 3.45Å; L11-I15 WeakPolarHBondContact O-CG1 3.49Å; L11-I15 PolarHBondContact O-N 3.24Å; H12-I15 PolarHBondContact O-N 3.31Å; I15-V17 PolarHBondContact O-N 3.32Å |
| 16 | F | 45.4 | Very low | 60.5 | Low | 175 Ų | 175 | 93.7 Ų | 93.7 | 77% | 0.768 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.6 | 178.6 | -86.5 | -75.7 | 0 | 0 | 0 | 115.2 | H12 | H12-F16 AromaticContact ND1-CE2 3.84Å; H12-F16 WeakPolarHBondContact O-CD2 3.16Å; H12-F16 PolarHBondContact O-N 2.62Å |
| 17 | V | 43.7 | Very low | 60.5 | Low | 107 Ų | 107 | 98.8 Ų | 98.8 | 65% | 0.648 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -4 | -172.2 | 168.7 | 0 | 0 | 0 | 0 | 114.8 | L13 I15 | L13-V17 WeakPolarHBondContact O-CG2 3.28Å; I15-V17 PolarHBondContact O-N 3.32Å |
| 18 | Q | 45.7 | Very low | 60.8 | Low | 164 Ų | 164 | 100.4 Ų | 100.4 | 77% | 0.766 | 51% | 0.511 | S | S | * | . | trans | -139.2 | 81.4 | -173.8 | -64.4 | -167.7 | -11.3 | 0 | 0 | 114.8 | ||||
| 19 | C | 55.8 | Low | 61.3 | Low | 81 Ų | 81 | 96.8 Ų | 96.8 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | trans | -154.5 | 20.3 | 157.1 | -100.8 | 0 | 0 | 0 | 0 | 115.5 | K128 | C19-K128 VanDerWaalsContact SG-CE 3.53Å; C19-K128 PolarHBondContact SG-NZ 2.82Å; C19-K128 VanDerWaalsContact SG-NZ 3.36Å | ||
| 20 | E | 69.2 | Low | 61.9 | Low | 89 Ų | 89 | 104 Ų | 104 | 42% | 0.416 | 52% | 0.518 | S | S | . | . | trans | -79 | 138.8 | 170.5 | -69.7 | -173.5 | 163.2 | 0 | 0 | 110.6 | F22 K131 | E20-F22 HydrophobicContact CB-CE1 4.34Å; E20-F22 HydrophobicContact CB-CE2 4.42Å; E20-F22 HydrophobicContact CB-CZ 4.02Å; E20-F22 WeakPolarHBondContact O-CD2 3.14Å; E20-F22 WeakPolarHBondContact O-CE2 3.09Å; E20-K131 WeakPolarHBondContact OE1-CE 3.25Å; E20-K131 IonicContact OE1-NZ 2.76Å; E20-K131 PolarHBondContact OE1-NZ 3.17Å; E20-K131 WeakPolarHBondContact OE2-CE 3.44Å; E20-K131 IonicContact OE2-NZ 3.01Å; E20-K131 PolarHBondContact OE2-NZ 2.88Å | ||
| 21 | L | 83 | Confident | 62.8 | Low | 5 Ų | 5 | 101.9 Ų | 101.9 | 3% | 0.026 | 51% | 0.505 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 145.4 | 165.2 | -162 | 69.2 | 0 | 0 | 0 | 107.6 | A52 K53 L54 D122 S129 T130 | L21-A52 HydrophobicContact CD2-CB 3.86Å; L21-A52 HydrophobicContact CG-CB 4.3Å; L21-K53 WeakPolarHBondContact CD1-O 3.11Å; L21-L54 HydrophobicContact CD1-CD2 4.18Å; L21-D122 HydrophobicContact CD2-CB 4.36Å; L21-S129 PolarHBondContact N-O 3.1Å; L21-T130 HydrophobicContact CB-CG2 3.81Å; L21-T130 HydrophobicContact CD2-CG2 3.89Å; L21-T130 HydrophobicContact CG-CG2 3.86Å; L21-T130 VanDerWaalsContact O-CA 3.28Å; L21-T130 WeakPolarHBondContact O-CA 3.4Å |
| 22 | F | 86.5 | Confident | 64.3 | Low | 76 Ų | 76 | 99.6 Ų | 99.6 | 33% | 0.333 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144.2 | 178.9 | -62.7 | -80.9 | 0 | 0 | 0 | 110 | E20 K53 | E20-F22 HydrophobicContact CB-CE1 4.34Å; E20-F22 HydrophobicContact CB-CE2 4.42Å; E20-F22 HydrophobicContact CB-CZ 4.02Å; E20-F22 WeakPolarHBondContact O-CD2 3.14Å; E20-F22 WeakPolarHBondContact O-CE2 3.09Å; F22-K53 PolarHBondContact O-N 3.44Å |
| 23 | W | 88.5 | Confident | 66.4 | Low | 15 Ų | 15 | 94.6 Ų | 94.6 | 6% | 0.057 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 153.6 | 162.7 | -62.8 | 110.9 | 0 | 0 | 0 | 109.7 | F25 F33 I50 I118 A120 T130 K131 | W23-F25 HydrophobicContact CB-CD2 3.51Å; W23-F25 HydrophobicContact CB-CE2 3.54Å; W23-F25 HydrophobicContact CB-CG 4.46Å; W23-F25 HydrophobicContact CB-CZ 4.46Å; W23-F25 HydrophobicContact CG-CD2 4.4Å; W23-F25 HydrophobicContact CG-CE2 4.15Å; W23-F25 PolarHBondContact O-N 3.12Å; W23-F33 HydrophobicContact CD2-CE2 4.09Å; W23-F33 HydrophobicContact CD2-CZ 4.02Å; W23-F33 HydrophobicContact CE3-CE2 4.39Å; W23-F33 AromaticContact CE3-CZ 3.91Å; W23-F33 HydrophobicContact CE3-CZ 3.91Å; W23-F33 HydrophobicContact CG-CE2 4.39Å; W23-F33 HydrophobicContact CG-CZ 4.45Å; W23-F33 HydrophobicContact CZ3-CZ 4.3Å; W23-I50 HydrophobicContact CH2-CG2 4.31Å; W23-I50 HydrophobicContact CZ3-CG2 3.78Å; W23-I118 HydrophobicContact CH2-CD1 4.18Å; W23-I118 HydrophobicContact CH2-CG1 3.92Å; W23-I118 HydrophobicContact CH2-CG2 4.32Å; W23-I118 HydrophobicContact CZ2-CB 4.43Å; W23-I118 HydrophobicContact CZ2-CG1 4.14Å; W23-I118 HydrophobicContact CZ2-CG2 3.88Å; W23-A120 HydrophobicContact CH2-CB 3.39Å; W23-A120 HydrophobicContact CZ2-CB 4.08Å; W23-A120 HydrophobicContact CZ3-CB 3.64Å; W23-T130 HydrophobicContact CD2-CG2 4.03Å; W23-T130 HydrophobicContact CE3-CG2 4.43Å; W23-T130 HydrophobicContact CG-CG2 4.36Å; W23-T130 HydrophobicContact CZ2-CG2 4.35Å; W23-T130 WeakPolarHBondContact CZ2-OG1 3.37Å; W23-T130 PolarHBondContact NE1-OG1 2.9Å; W23-K131 PolarHBondContact NE1-O 3Å; W23-K131 VanDerWaalsContact NE1-O 3.08Å |
| 24 | N | 84.3 | Confident | 68.5 | Low | 78 Ų | 78 | 89.9 Ų | 89.9 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -76.5 | 53.5 | 177.7 | -166.3 | 28.8 | 0 | 0 | 0 | 112.3 | Q51 | N24-Q51 HydrophobicContact CB-CB 3.99Å; N24-Q51 HydrophobicContact CB-CG 4.05Å; N24-Q51 WeakPolarHBondContact CB-O 3.19Å; N24-Q51 PolarHBondContact N-O 2.73Å; N24-Q51 PolarHBondContact ND2-OE1 2.99Å |
| 25 | F | 79.2 | Confident | 70.7 | Confident | 37 Ų | 37 | 83.9 Ų | 83.9 | 16% | 0.162 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -126.9 | 156.9 | 171.9 | -45.6 | -52.6 | 0 | 0 | 0 | 109.9 | W23 S29 F33 P48 | W23-F25 HydrophobicContact CB-CD2 3.51Å; W23-F25 HydrophobicContact CB-CE2 3.54Å; W23-F25 HydrophobicContact CB-CG 4.46Å; W23-F25 HydrophobicContact CB-CZ 4.46Å; W23-F25 HydrophobicContact CG-CD2 4.4Å; W23-F25 HydrophobicContact CG-CE2 4.15Å; W23-F25 PolarHBondContact O-N 3.12Å; F25-S29 WeakPolarHBondContact CB-OG 3.08Å; F25-F33 AromaticContact CE2-CE1 3.79Å; F25-F33 HydrophobicContact CE2-CE1 3.79Å; F25-F33 AromaticContact CE2-CE2 3.69Å; F25-F33 HydrophobicContact CE2-CE2 3.69Å; F25-F33 AromaticContact CE2-CZ 3.27Å; F25-F33 HydrophobicContact CE2-CZ 3.27Å; F25-F33 HydrophobicContact CZ-CD1 4.31Å; F25-F33 AromaticContact CZ-CE1 3.43Å; F25-F33 HydrophobicContact CZ-CE1 3.43Å; F25-F33 VanDerWaalsContact CZ-CE1 3.43Å; F25-F33 HydrophobicContact CZ-CE2 4.22Å; F25-F33 AromaticContact CZ-CZ 3.39Å; F25-F33 HydrophobicContact CZ-CZ 3.39Å; F25-P48 HydrophobicContact CD1-CB 4.43Å; F25-P48 HydrophobicContact CD1-CG 3.88Å; F25-P48 HydrophobicContact CE1-CB 3.54Å; F25-P48 HydrophobicContact CE1-CG 3.05Å; F25-P48 HydrophobicContact CE2-CG 4.24Å; F25-P48 HydrophobicContact CZ-CB 4.08Å; F25-P48 HydrophobicContact CZ-CG 3.28Å |
| 26 | P | 70.6 | Confident | 72.7 | Confident | 94 Ų | 94 | 79.1 Ų | 79.1 | 61% | 0.61 | 39% | 0.39 | S | S | * | . | trans | -56.4 | 138.8 | 169.1 | -20.8 | 31.7 | 0 | 0 | 0 | 111.2 | N28 S29 | P26-N28 PolarHBondContact O-N 2.77Å; P26-N28 VanDerWaalsContact O-N 3.08Å; P26-S29 VanDerWaalsContact O-CB 3.24Å; P26-S29 WeakPolarHBondContact O-CB 3.27Å; P26-S29 PolarHBondContact O-N 3.4Å; P26-S29 PolarHBondContact O-OG 3.28Å | ||
| 27 | R | 63.2 | Low | 74.8 | Confident | 188 Ų | 188 | 70.8 Ų | 70.8 | 71% | 0.709 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29.7 | -176.9 | -74.6 | -173.2 | -156.9 | -165.2 | 4.6 | 114.1 | ||
| 28 | N | 62.3 | Low | 76.6 | Confident | 160 Ų | 160 | 65.9 Ų | 65.9 | 86% | 0.856 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 16.5 | -179.6 | -67 | 2.6 | 0 | 0 | 0 | 113 | P26 | P26-N28 PolarHBondContact O-N 2.77Å; P26-N28 VanDerWaalsContact O-N 3.08Å |
| 29 | S | 65.7 | Low | 78.1 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | trans | -71.4 | 135.9 | 179.6 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | F25 P26 E31 | F25-S29 WeakPolarHBondContact CB-OG 3.08Å; P26-S29 VanDerWaalsContact O-CB 3.24Å; P26-S29 WeakPolarHBondContact O-CB 3.27Å; P26-S29 PolarHBondContact O-N 3.4Å; P26-S29 PolarHBondContact O-OG 3.28Å; S29-E31 PolarHBondContact O-N 3.24Å | ||
| 30 | K | 69.2 | Low | 78.9 | Confident | 210 Ų | 210 | 63.3 Ų | 63.3 | 91% | 0.913 | 30% | 0.302 | S | S | * | . | trans | -83.8 | 15.1 | 166.8 | -65.2 | -177 | 179.8 | 175.9 | 0 | 111.9 | ||||
| 31 | E | 71.9 | Confident | 79.2 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | trans | -76 | 137.9 | -173.6 | -67.6 | -163.4 | 147 | 0 | 0 | 111.3 | S29 W133 K149 | S29-E31 PolarHBondContact O-N 3.24Å; E31-W133 PolarHBondContact O-NE1 3.34Å; E31-K149 IonicContact OE1-NZ 2.98Å; E31-K149 PolarHBondContact OE1-NZ 3.49Å | ||
| 32 | V | 83.2 | Confident | 79 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | trans | -120.1 | 141.7 | 179.7 | 179.1 | 0 | 0 | 0 | 0 | 107.3 | H34 P134 T136 | V32-H34 PolarHBondContact O-CD2 2.95Å; V32-H34 VanDerWaalsContact O-CD2 3.25Å; V32-H34 PolarHBondContact O-N 3.25Å; V32-P134 HydrophobicContact CG1-CB 3.99Å; V32-P134 HydrophobicContact CG1-CG 4.06Å; V32-P134 HydrophobicContact CG2-CG 4.14Å; V32-T136 HydrophobicContact CG1-CG2 3.98Å | ||
| 33 | F | 90.8 | Very high | 78.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 133.3 | 173.6 | -71.5 | -78.8 | 0 | 0 | 0 | 110.3 | W23 F25 V46 F47 P48 I50 I118 W133 P134 I135 T136 | W23-F33 HydrophobicContact CD2-CE2 4.09Å; W23-F33 HydrophobicContact CD2-CZ 4.02Å; W23-F33 HydrophobicContact CE3-CE2 4.39Å; W23-F33 AromaticContact CE3-CZ 3.91Å; W23-F33 HydrophobicContact CE3-CZ 3.91Å; W23-F33 HydrophobicContact CG-CE2 4.39Å; W23-F33 HydrophobicContact CG-CZ 4.45Å; W23-F33 HydrophobicContact CZ3-CZ 4.3Å; F25-F33 AromaticContact CE2-CE1 3.79Å; F25-F33 HydrophobicContact CE2-CE1 3.79Å; F25-F33 AromaticContact CE2-CE2 3.69Å; F25-F33 HydrophobicContact CE2-CE2 3.69Å; F25-F33 AromaticContact CE2-CZ 3.27Å; F25-F33 HydrophobicContact CE2-CZ 3.27Å; F25-F33 HydrophobicContact CZ-CD1 4.31Å; F25-F33 AromaticContact CZ-CE1 3.43Å; F25-F33 HydrophobicContact CZ-CE1 3.43Å; F25-F33 VanDerWaalsContact CZ-CE1 3.43Å; F25-F33 HydrophobicContact CZ-CE2 4.22Å; F25-F33 AromaticContact CZ-CZ 3.39Å; F25-F33 HydrophobicContact CZ-CZ 3.39Å; F33-V46 HydrophobicContact CB-CG1 4.28Å; F33-V46 HydrophobicContact CD1-CG1 3.85Å; F33-V46 HydrophobicContact CG-CG1 4.49Å; F33-F47 CarbonylContact C-O 3.5Å; F33-F47 WeakPolarHBondContact CA-O 3.38Å; F33-P48 HydrophobicContact CD1-CG 4.3Å; F33-P48 WeakPolarHBondContact CD1-O 3.22Å; F33-P48 HydrophobicContact CE1-CG 4.33Å; F33-P48 WeakPolarHBondContact CE1-O 2.99Å; F33-I50 HydrophobicContact CD1-CG1 4.5Å; F33-I50 HydrophobicContact CE1-CG1 4.16Å; F33-I118 HydrophobicContact CD2-CG2 3.55Å; F33-I118 HydrophobicContact CE2-CG2 3.61Å; F33-I118 HydrophobicContact CG-CG2 4.44Å; F33-W133 HydrophobicContact CD2-CB 4.39Å; F33-W133 AromaticContact CD2-CD1 3.84Å; F33-W133 HydrophobicContact CD2-CG 4.44Å; F33-W133 HydrophobicContact CE2-CB 4.22Å; F33-W133 HydrophobicContact CE2-CG 4.32Å; F33-P134 PolarHBondContact N-O 3.43Å; F33-I135 HydrophobicContact CB-CB 3.73Å; F33-I135 HydrophobicContact CB-CD1 3.84Å; F33-I135 HydrophobicContact CB-CG1 3.58Å; F33-I135 CarbonylContact O-C 3.54Å; F33-I135 VanDerWaalsContact O-CA 3.29Å; F33-I135 WeakPolarHBondContact O-CA 3.36Å; F33-T136 PolarHBondContact O-N 3.17Å |
| 34 | H | 89.6 | Confident | 78.9 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.1 | 174.7 | -62.6 | -67 | 0 | 0 | 0 | 108.9 | V32 V46 F47 T136 | V32-H34 PolarHBondContact O-CD2 2.95Å; V32-H34 VanDerWaalsContact O-CD2 3.25Å; V32-H34 PolarHBondContact O-N 3.25Å; H34-V46 CarbonylContact O-C 3.5Å; H34-V46 WeakPolarHBondContact O-CA 3.49Å; H34-F47 PolarHBondContact N-O 3.45Å; H34-F47 PolarHBondContact O-N 3.04Å; H34-T136 PolarHBondContact ND1-OG1 3.33Å |
| 35 | A | 91.4 | Very high | 78.9 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I44 Q45 V46 L91 I135 T136 F137 E138 | A35-I44 HydrophobicContact CB-CG2 3.95Å; A35-Q45 CarbonylContact C-O 3.54Å; A35-Q45 VanDerWaalsContact CA-O 3.28Å; A35-Q45 WeakPolarHBondContact CA-O 2.99Å; A35-V46 HydrophobicContact CB-CG2 3.98Å; A35-L91 HydrophobicContact CB-CD1 4.44Å; A35-I135 HydrophobicContact CB-CD1 4.16Å; A35-I135 HydrophobicContact CB-CG1 4.27Å; A35-T136 PolarHBondContact N-O 2.8Å; A35-F137 HydrophobicContact CB-CD1 3.57Å; A35-F137 HydrophobicContact CB-CE1 3.62Å; A35-F137 HydrophobicContact CB-CG 4.13Å; A35-F137 HydrophobicContact CB-CZ 4.21Å; A35-F137 CarbonylContact O-C 3.59Å; A35-F137 VanDerWaalsContact O-CA 3.31Å; A35-F137 WeakPolarHBondContact O-CA 3.27Å; A35-E138 PolarHBondContact O-N 2.69Å |
| 36 | Y | 88.5 | Confident | 79.5 | Confident | 13 Ų | 13 | 61 Ų | 61 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.2 | 174 | -68 | -82.4 | 0 | 0 | 0 | 109.7 | I44 Q45 F47 E138 I140 I146 W147 | Y36-I44 WeakPolarHBondContact O-CA 3.32Å; Y36-Q45 PolarHBondContact N-O 3.21Å; Y36-Q45 PolarHBondContact O-N 3.03Å; Y36-F47 AromaticContact CD2-CD2 3.89Å; Y36-F47 HydrophobicContact CD2-CD2 3.89Å; Y36-F47 HydrophobicContact CD2-CE2 4.07Å; Y36-F47 AromaticContact CE2-CD2 4Å; Y36-F47 HydrophobicContact CE2-CD2 4Å; Y36-F47 HydrophobicContact CE2-CE2 4.39Å; Y36-E138 WeakPolarHBondContact CA-O 3.49Å; Y36-E138 HydrophobicContact CD1-CB 4.25Å; Y36-E138 HydrophobicContact CE1-CB 4.36Å; Y36-E138 WeakPolarHBondContact CE1-OE2 3.41Å; Y36-I140 HydrophobicContact CD1-CD1 4.48Å; Y36-I140 HydrophobicContact CD1-CG2 3.69Å; Y36-I140 HydrophobicContact CE1-CG2 4.3Å; Y36-I146 HydrophobicContact CD1-CG2 3.84Å; Y36-I146 HydrophobicContact CD2-CG2 3.11Å; Y36-I146 HydrophobicContact CE1-CG2 4.07Å; Y36-I146 HydrophobicContact CE2-CG2 3.38Å; Y36-I146 HydrophobicContact CG-CG2 3.34Å; Y36-W147 WeakPolarHBondContact CE2-O 3.29Å; Y36-W147 PolarHBondContact OH-O 2.76Å |
| 37 | V | 87.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 108 | 177.9 | -176 | 0 | 0 | 0 | 0 | 108.2 | I44 I77 F93 F137 E138 I140 | V37-I44 HydrophobicContact CG2-CD1 4.46Å; V37-I44 HydrophobicContact CG2-CG1 4.31Å; V37-I77 HydrophobicContact CG2-CD1 4.29Å; V37-F93 HydrophobicContact CG1-CD1 4.32Å; V37-F93 HydrophobicContact CG1-CD2 3.5Å; V37-F93 HydrophobicContact CG1-CE1 4.38Å; V37-F93 HydrophobicContact CG1-CE2 3.59Å; V37-F93 HydrophobicContact CG1-CG 3.88Å; V37-F93 HydrophobicContact CG1-CZ 4.03Å; V37-F137 HydrophobicContact CG2-CD1 3.92Å; V37-E138 PolarHBondContact N-O 2.78Å; V37-I140 WeakPolarHBondContact O-CG1 3.22Å; V37-I140 PolarHBondContact O-N 3.01Å; V37-I140 VanDerWaalsContact O-N 3.07Å |
| 38 | N | 81.8 | Confident | 81.4 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 106.3 | 174.8 | -172.7 | -30.2 | 0 | 0 | 0 | 109.6 | K40 A41 H42 T43 I140 S142 | N38-K40 PolarHBondContact O-N 3.36Å; N38-K40 PolarHBondContact OD1-N 2.99Å; N38-K40 VanDerWaalsContact OD1-N 3.15Å; N38-A41 HydrophobicContact CB-CB 4.02Å; N38-A41 VanDerWaalsContact CG-CB 3.46Å; N38-A41 PolarHBondContact OD1-N 3.11Å; N38-H42 WeakPolarHBondContact O-CA 3.46Å; N38-H42 PolarHBondContact O-N 3.46Å; N38-T43 PolarHBondContact N-O 2.97Å; N38-T43 PolarHBondContact O-N 3.24Å; N38-I140 HydrophobicContact CB-CG1 4.49Å; N38-S142 PolarHBondContact ND2-O 3.09Å; N38-S142 VanDerWaalsContact ND2-O 3.14Å; N38-S142 WeakPolarHBondContact OD1-CA 3.37Å; N38-S142 WeakPolarHBondContact OD1-CB 3.41Å |
| 39 | E | 77 | Confident | 82.6 | Confident | 59 Ų | 59 | 46.3 Ų | 46.3 | 28% | 0.276 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -34.9 | -175.2 | -63.8 | -170 | 172.8 | 0 | 0 | 113.5 | H42 Y98 H139 | E39-H42 PolarHBondContact O-CE1 3.06Å; E39-H42 PolarHBondContact O-ND1 3.26Å; E39-Y98 HydrophobicContact CG-CE1 4.38Å; E39-Y98 WeakPolarHBondContact OE1-CE1 3.38Å; E39-Y98 PolarHBondContact OE1-OH 2.79Å; E39-H139 IonicContact OE1-CG 3.57Å; E39-H139 IonicContact OE1-ND1 3.98Å; E39-H139 PolarHBondContact OE1-ND1 3.07Å |
| 40 | K | 72.8 | Confident | 83.9 | Confident | 132 Ų | 132 | 45.3 Ų | 45.3 | 57% | 0.574 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -38.6 | -177.9 | -172 | -174.9 | 175.4 | -172.8 | 0 | 112.2 | N38 H42 S142 D143 | N38-K40 PolarHBondContact O-N 3.36Å; N38-K40 PolarHBondContact OD1-N 2.99Å; N38-K40 VanDerWaalsContact OD1-N 3.15Å; K40-H42 PolarHBondContact O-N 2.95Å; K40-S142 WeakPolarHBondContact CB-OG 3.45Å; K40-S142 VanDerWaalsContact CD-CB 3.48Å; K40-S142 WeakPolarHBondContact CD-OG 3.25Å; K40-D143 VanDerWaalsContact NZ-CG 3.35Å; K40-D143 IonicContact NZ-OD1 2.98Å; K40-D143 PolarHBondContact NZ-OD1 3.42Å; K40-D143 IonicContact NZ-OD2 3.42Å; K40-D143 PolarHBondContact NZ-OD2 3.13Å |
| 41 | A | 75 | Confident | 85 | Confident | 49 Ų | 49 | 37 Ų | 37 | 41% | 0.405 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N38 T43 | N38-A41 HydrophobicContact CB-CB 4.02Å; N38-A41 VanDerWaalsContact CG-CB 3.46Å; N38-A41 PolarHBondContact OD1-N 3.11Å; A41-T43 HydrophobicContact CB-CG2 4.35Å; A41-T43 PolarHBondContact O-N 2.95Å |
| 42 | H | 80.9 | Confident | 85.9 | Confident | 99 Ų | 99 | 34 Ų | 34 | 46% | 0.458 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 33.6 | -171.9 | -62.3 | -62.2 | 0 | 0 | 0 | 113.7 | N38 E39 K40 F93 | N38-H42 WeakPolarHBondContact O-CA 3.46Å; N38-H42 PolarHBondContact O-N 3.46Å; E39-H42 PolarHBondContact O-CE1 3.06Å; E39-H42 PolarHBondContact O-ND1 3.26Å; K40-H42 PolarHBondContact O-N 2.95Å; H42-F93 HydrophobicContact CB-CD1 4.4Å; H42-F93 AromaticContact ND1-CD1 3.86Å; H42-F93 AromaticContact ND1-CE1 3.82Å |
| 43 | T | 82.3 | Confident | 86 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 25% | 0.245 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152 | -179.1 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | N38 A41 | N38-T43 PolarHBondContact N-O 2.97Å; N38-T43 PolarHBondContact O-N 3.24Å; A41-T43 HydrophobicContact CB-CG2 4.35Å; A41-T43 PolarHBondContact O-N 2.95Å |
| 44 | I | 88.6 | Confident | 85.8 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.1 | 169.4 | -54.2 | -180 | 0 | 0 | 0 | 107.9 | A35 Y36 V37 V46 I77 L91 T92 F93 | A35-I44 HydrophobicContact CB-CG2 3.95Å; Y36-I44 WeakPolarHBondContact O-CA 3.32Å; V37-I44 HydrophobicContact CG2-CD1 4.46Å; V37-I44 HydrophobicContact CG2-CG1 4.31Å; I44-V46 HydrophobicContact CG2-CG2 4.01Å; I44-I77 HydrophobicContact CD1-CB 4.4Å; I44-I77 HydrophobicContact CD1-CD1 3.92Å; I44-I77 HydrophobicContact CD1-CG1 3.99Å; I44-I77 HydrophobicContact CD1-CG2 3.71Å; I44-L91 HydrophobicContact CB-CB 3.96Å; I44-L91 HydrophobicContact CD1-CB 3.83Å; I44-L91 HydrophobicContact CG1-CB 4.45Å; I44-L91 HydrophobicContact CG2-CB 3.91Å; I44-L91 HydrophobicContact CG2-CD1 4.15Å; I44-T92 WeakPolarHBondContact CD1-O 3.45Å; I44-F93 HydrophobicContact CD1-CB 3.84Å; I44-F93 HydrophobicContact CG1-CB 3.66Å |
| 45 | Q | 85.9 | Confident | 85.4 | Confident | 28 Ų | 28 | 42.2 Ų | 42.2 | 13% | 0.131 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.6 | 173.6 | -67 | -175.8 | -4.5 | 0 | 0 | 109.3 | A35 Y36 F47 I146 I176 | A35-Q45 CarbonylContact C-O 3.54Å; A35-Q45 VanDerWaalsContact CA-O 3.28Å; A35-Q45 WeakPolarHBondContact CA-O 2.99Å; Y36-Q45 PolarHBondContact N-O 3.21Å; Y36-Q45 PolarHBondContact O-N 3.03Å; Q45-F47 HydrophobicContact CB-CE2 4.17Å; Q45-I146 VanDerWaalsContact OE1-CD1 3.23Å; Q45-I176 PolarHBondContact NE2-O 3.33Å; Q45-I176 VanDerWaalsContact NE2-O 3.12Å |
| 46 | V | 90.3 | Very high | 84.3 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 11% | 0.109 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.9 | -176.2 | -172 | 0 | 0 | 0 | 0 | 110.3 | F33 H34 A35 I44 P48 I50 L91 I135 | F33-V46 HydrophobicContact CB-CG1 4.28Å; F33-V46 HydrophobicContact CD1-CG1 3.85Å; F33-V46 HydrophobicContact CG-CG1 4.49Å; H34-V46 CarbonylContact O-C 3.5Å; H34-V46 WeakPolarHBondContact O-CA 3.49Å; A35-V46 HydrophobicContact CB-CG2 3.98Å; I44-V46 HydrophobicContact CG2-CG2 4.01Å; V46-P48 CarbonylContact C-O 3.54Å; V46-P48 CarbonylContact O-C 3.52Å; V46-I50 HydrophobicContact CB-CD1 4.22Å; V46-I50 HydrophobicContact CB-CG1 4.16Å; V46-I50 HydrophobicContact CG1-CD1 4.15Å; V46-I50 HydrophobicContact CG1-CG1 3.84Å; V46-I50 HydrophobicContact CG2-CD1 4Å; V46-I50 HydrophobicContact CG2-CG1 4.49Å; V46-L91 HydrophobicContact CG2-CB 4.47Å; V46-L91 HydrophobicContact CG2-CD1 3.71Å; V46-L91 HydrophobicContact CG2-CG 3.95Å; V46-I135 HydrophobicContact CG1-CD1 4.1Å |
| 47 | F | 87.7 | Confident | 83.7 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.7 | 177.2 | -62.9 | -77.6 | 0 | 0 | 0 | 111.2 | F33 H34 Y36 Q45 I146 S148 Y172 | F33-F47 CarbonylContact C-O 3.5Å; F33-F47 WeakPolarHBondContact CA-O 3.38Å; H34-F47 PolarHBondContact N-O 3.45Å; H34-F47 PolarHBondContact O-N 3.04Å; Y36-F47 AromaticContact CD2-CD2 3.89Å; Y36-F47 HydrophobicContact CD2-CD2 3.89Å; Y36-F47 HydrophobicContact CD2-CE2 4.07Å; Y36-F47 AromaticContact CE2-CD2 4Å; Y36-F47 HydrophobicContact CE2-CD2 4Å; Y36-F47 HydrophobicContact CE2-CE2 4.39Å; Q45-F47 HydrophobicContact CB-CE2 4.17Å; F47-I146 HydrophobicContact CE2-CG2 3.81Å; F47-S148 WeakPolarHBondContact CB-O 3.11Å; F47-Y172 AromaticContact CD1-CE2 3.98Å; F47-Y172 HydrophobicContact CD1-CE2 3.98Å; F47-Y172 AromaticContact CE1-CD2 3.51Å; F47-Y172 HydrophobicContact CE1-CD2 3.51Å; F47-Y172 HydrophobicContact CE1-CE1 4.43Å; F47-Y172 AromaticContact CE1-CE2 3.18Å; F47-Y172 HydrophobicContact CE1-CE2 3.18Å; F47-Y172 HydrophobicContact CE1-CG 4.27Å; F47-Y172 AromaticContact CE1-CZ 3.71Å; F47-Y172 HydrophobicContact CE2-CD2 4.35Å; F47-Y172 AromaticContact CZ-CD2 3.39Å; F47-Y172 HydrophobicContact CZ-CD2 3.39Å; F47-Y172 AromaticContact CZ-CE2 3.63Å; F47-Y172 HydrophobicContact CZ-CE2 3.63Å; F47-Y172 AromaticContact CZ-CG 3.98Å; F47-Y172 HydrophobicContact CZ-CG 3.98Å |
| 48 | P | 87 | Confident | 83.5 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 25% | 0.253 | 31% | 0.309 | S | S | . | . | S | Bend | cis | -58.7 | 164.6 | -19.1 | 28.9 | -37.2 | 0 | 0 | 0 | 111.8 | F25 F33 V46 I50 | F25-P48 HydrophobicContact CD1-CB 4.43Å; F25-P48 HydrophobicContact CD1-CG 3.88Å; F25-P48 HydrophobicContact CE1-CB 3.54Å; F25-P48 HydrophobicContact CE1-CG 3.05Å; F25-P48 HydrophobicContact CE2-CG 4.24Å; F25-P48 HydrophobicContact CZ-CB 4.08Å; F25-P48 HydrophobicContact CZ-CG 3.28Å; F33-P48 HydrophobicContact CD1-CG 4.3Å; F33-P48 WeakPolarHBondContact CD1-O 3.22Å; F33-P48 HydrophobicContact CE1-CG 4.33Å; F33-P48 WeakPolarHBondContact CE1-O 2.99Å; V46-P48 CarbonylContact C-O 3.54Å; V46-P48 CarbonylContact O-C 3.52Å; P48-I50 PolarHBondContact O-N 2.67Å |
| 49 | S | 88.5 | Confident | 83.9 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 49% | 0.49 | 33% | 0.326 | S | S | . | . | trans | -59.1 | 140.7 | -179.9 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | Q51 | S49-Q51 PolarHBondContact O-N 3.41Š| ||
| 50 | I | 92.3 | Very high | 84.6 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | trans | -67 | 104.7 | 179.1 | -59.9 | 168 | 0 | 0 | 0 | 108.2 | W23 F33 V46 P48 I63 Y88 G89 L91 I118 | W23-I50 HydrophobicContact CH2-CG2 4.31Å; W23-I50 HydrophobicContact CZ3-CG2 3.78Å; F33-I50 HydrophobicContact CD1-CG1 4.5Å; F33-I50 HydrophobicContact CE1-CG1 4.16Å; V46-I50 HydrophobicContact CB-CD1 4.22Å; V46-I50 HydrophobicContact CB-CG1 4.16Å; V46-I50 HydrophobicContact CG1-CD1 4.15Å; V46-I50 HydrophobicContact CG1-CG1 3.84Å; V46-I50 HydrophobicContact CG2-CD1 4Å; V46-I50 HydrophobicContact CG2-CG1 4.49Å; P48-I50 PolarHBondContact O-N 2.67Å; I50-I63 HydrophobicContact CG2-CD1 3.88Å; I50-I63 HydrophobicContact CG2-CG1 4.48Å; I50-Y88 WeakPolarHBondContact O-CA 3.09Å; I50-G89 PolarHBondContact O-N 2.98Å; I50-L91 HydrophobicContact CD1-CD1 4.31Å; I50-L91 HydrophobicContact CD1-CD2 3.9Å; I50-L91 HydrophobicContact CD1-CG 3.72Å; I50-I118 HydrophobicContact CD1-CD1 3.66Å; I50-I118 HydrophobicContact CG1-CD1 3.98Å; I50-I118 HydrophobicContact CG2-CD1 4.07Å | ||
| 51 | Q | 91.8 | Very high | 85.5 | Confident | 36 Ų | 36 | 56 Ų | 56 | 17% | 0.168 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -139.8 | 123.5 | 177 | -169.9 | 179.6 | 12.6 | 0 | 0 | 111 | N24 S49 K86 G87 Y88 | N24-Q51 HydrophobicContact CB-CB 3.99Å; N24-Q51 HydrophobicContact CB-CG 4.05Å; N24-Q51 WeakPolarHBondContact CB-O 3.19Å; N24-Q51 PolarHBondContact N-O 2.73Å; N24-Q51 PolarHBondContact ND2-OE1 2.99Å; S49-Q51 PolarHBondContact O-N 3.41Å; Q51-K86 PolarHBondContact NE2-O 2.84Å; Q51-K86 VanDerWaalsContact NE2-O 3.12Å; Q51-G87 CarbonylContact C-O 3.37Å; Q51-G87 VanDerWaalsContact CA-O 3.24Å; Q51-G87 WeakPolarHBondContact CA-O 3.37Å; Q51-Y88 HydrophobicContact CB-CD1 3.93Å; Q51-Y88 HydrophobicContact CB-CE1 3.88Å; Q51-Y88 VanDerWaalsContact CD-CE1 3.46Å; Q51-Y88 HydrophobicContact CG-CD1 3.99Å; Q51-Y88 HydrophobicContact CG-CE1 3.84Å; Q51-Y88 HydrophobicContact CG-CG 4.44Å; Q51-Y88 PolarHBondContact NE2-OH 2.88Å; Q51-Y88 PolarHBondContact OE1-OH 2.83Å |
| 52 | A | 90 | Very high | 86.4 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 135.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L21 L54 L60 G87 A120 | L21-A52 HydrophobicContact CD2-CB 3.86Å; L21-A52 HydrophobicContact CG-CB 4.3Å; A52-L54 PolarHBondContact O-N 3.2Å; A52-L60 HydrophobicContact CB-CD1 4.3Å; A52-G87 PolarHBondContact N-O 2.77Å; A52-A120 HydrophobicContact CB-CB 4.12Å |
| 53 | K | 87.3 | Confident | 87 | Confident | 139 Ų | 139 | 51.1 Ų | 51.1 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 100.3 | 171.8 | -170.9 | 172.7 | -176 | 173.7 | 0 | 108.8 | L21 F22 | L21-K53 WeakPolarHBondContact CD1-O 3.11Å; F22-K53 PolarHBondContact O-N 3.44Å |
| 54 | L | 85.3 | Confident | 87.6 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | trans | -75.8 | 144.7 | 178.2 | -63.7 | 170.2 | 0 | 0 | 0 | 110.5 | L21 A52 S58 L60 Q84 E85 G87 | L21-L54 HydrophobicContact CD1-CD2 4.18Å; A52-L54 PolarHBondContact O-N 3.2Å; L54-S58 WeakPolarHBondContact CB-OG 3.47Å; L54-S58 WeakPolarHBondContact CD1-O 3.34Å; L54-L60 HydrophobicContact CD1-CB 4.44Å; L54-L60 HydrophobicContact CD2-CB 4.24Å; L54-Q84 VanDerWaalsContact CD1-O 3.25Å; L54-Q84 WeakPolarHBondContact CD1-O 3.11Å; L54-E85 VanDerWaalsContact CD1-O 3.31Å; L54-E85 WeakPolarHBondContact CD1-O 3.46Å; L54-G87 VanDerWaalsContact CD1-CA 3.44Å; L54-G87 VanDerWaalsContact CD1-N 3.31Å | ||
| 55 | T | 80.6 | Confident | 87.9 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | trans | -75.1 | 159.8 | 165.7 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | D57 S58 | T55-D57 PolarHBondContact O-N 3.12Å; T55-S58 PolarHBondContact N-OG 2.94Å; T55-S58 PolarHBondContact O-N 3.37Å; T55-S58 PolarHBondContact O-OG 3.06Å; T55-S58 WeakPolarHBondContact OG1-CB 2.96Å; T55-S58 PolarHBondContact OG1-OG 3.37Å | ||
| 56 | N | 69.8 | Low | 88.2 | Confident | 167 Ų | 167 | 53 Ų | 53 | 89% | 0.893 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -17.9 | -165.6 | -72.5 | -5.7 | 0 | 0 | 0 | 116.6 | ||
| 57 | D | 74.9 | Confident | 88.3 | Confident | 161 Ų | 161 | 54.6 Ų | 54.6 | 86% | 0.861 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | 4.5 | 177.9 | -57.3 | -52.4 | 0 | 0 | 0 | 114.7 | T55 | T55-D57 PolarHBondContact O-N 3.12Š|
| 58 | S | 84.3 | Confident | 88.3 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | trans | -88.8 | 139.6 | -178.4 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | L54 T55 | L54-S58 WeakPolarHBondContact CB-OG 3.47Å; L54-S58 WeakPolarHBondContact CD1-O 3.34Å; T55-S58 PolarHBondContact N-OG 2.94Å; T55-S58 PolarHBondContact O-N 3.37Å; T55-S58 PolarHBondContact O-OG 3.06Å; T55-S58 WeakPolarHBondContact OG1-CB 2.96Å; T55-S58 PolarHBondContact OG1-OG 3.37Å | ||
| 59 | K | 89.5 | Confident | 88.1 | Confident | 89 Ų | 89 | 60.3 Ų | 60.3 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | trans | -108.5 | 144.3 | 171.5 | -67.3 | -171.7 | 179.4 | -157.1 | 0 | 110.2 | Q84 E85 D122 C123 | K59-Q84 CarbonylContact C-O 3.56Å; K59-Q84 WeakPolarHBondContact CA-O 3.39Å; K59-Q84 HydrophobicContact CB-CB 4.29Å; K59-E85 HydrophobicContact CD-CG 4.45Å; K59-E85 IonicContact NZ-OE1 3.95Å; K59-E85 PolarHBondContact NZ-OE1 2.69Å; K59-D122 CarbonylContact O-C 3.42Å; K59-D122 WeakPolarHBondContact O-CA 3.48Å; K59-D122 WeakPolarHBondContact O-CB 3.23Å; K59-C123 HydrophobicContact CB-CB 4.43Å; K59-C123 PolarHBondContact O-N 2.94Å; K59-C123 PolarHBondContact O-SG 2.72Å | ||
| 60 | L | 92 | Very high | 87.8 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 125.9 | 173.4 | 179 | 68.1 | 0 | 0 | 0 | 109.9 | A52 L54 I63 V81 Q84 G87 A120 | A52-L60 HydrophobicContact CB-CD1 4.3Å; L54-L60 HydrophobicContact CD1-CB 4.44Å; L54-L60 HydrophobicContact CD2-CB 4.24Å; L60-I63 HydrophobicContact CD1-CG1 4.41Å; L60-I63 HydrophobicContact CD2-CD1 3.85Å; L60-I63 HydrophobicContact CD2-CG1 4.17Å; L60-V81 HydrophobicContact CB-CG1 4.42Å; L60-V81 HydrophobicContact CD2-CG1 3.98Å; L60-V81 HydrophobicContact CD2-CG2 4.19Å; L60-V81 HydrophobicContact CG-CG1 4.17Å; L60-V81 HydrophobicContact CG-CG2 4.04Å; L60-Q84 PolarHBondContact N-O 3.17Å; L60-Q84 WeakPolarHBondContact O-CG 3.31Å; L60-G87 WeakPolarHBondContact CD2-O 3.38Å; L60-A120 HydrophobicContact CD1-CB 3.76Å |
| 61 | C | 91.8 | Very high | 87.6 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 46% | 0.459 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -41.6 | -176.8 | -106.2 | 0 | 0 | 0 | 0 | 113.3 | E121 C123 | C61-E121 PolarHBondContact N-O 2.71Å; C61-C123 VanDerWaalsContact CA-SG 3.56Å; C61-C123 HydrophobicContact CB-CB 4.01Å; C61-C123 WeakPolarHBondContact CB-SG 3.39Å; C61-C123 WeakPolarHBondContact SG-CA 3.37Å; C61-C123 WeakPolarHBondContact SG-CB 3.45Å; C61-C123 CovalentContact SG-SG 2.03Å; C61-C123 PolarHBondContact SG-SG 3.38Å |
| 62 | S | 93 | Very high | 87.4 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 147.6 | -176.4 | 94.2 | 0 | 0 | 0 | 0 | 111.6 | A120 E121 | S62-A120 WeakPolarHBondContact O-CA 3.31Å; S62-E121 PolarHBondContact N-O 2.73Å; S62-E121 VanDerWaalsContact N-O 3.12Å; S62-E121 PolarHBondContact O-N 2.84Å; S62-E121 WeakPolarHBondContact OG-CB 3.49Å; S62-E121 PolarHBondContact OG-OE2 2.87Å |
| 63 | I | 94.6 | Very high | 87.4 | Confident | 11 Ų | 11 | 74.3 Ų | 74.3 | 6% | 0.056 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.9 | 163.5 | -68.5 | 160 | 0 | 0 | 0 | 106.2 | I50 L60 G79 N80 V81 I118 I119 A120 | I50-I63 HydrophobicContact CG2-CD1 3.88Å; I50-I63 HydrophobicContact CG2-CG1 4.48Å; L60-I63 HydrophobicContact CD1-CG1 4.41Å; L60-I63 HydrophobicContact CD2-CD1 3.85Å; L60-I63 HydrophobicContact CD2-CG1 4.17Å; I63-G79 CarbonylContact O-C 3.27Å; I63-N80 WeakPolarHBondContact CD1-O 3.49Å; I63-V81 HydrophobicContact CD1-CG2 4.43Å; I63-I118 HydrophobicContact CG2-CD1 3.86Å; I63-I118 HydrophobicContact CG2-CG1 4.02Å; I63-I119 WeakPolarHBondContact CA-O 3.12Å; I63-A120 HydrophobicContact CG1-CB 4.35Å |
| 64 | S | 93.8 | Very high | 87.6 | Confident | 41 Ų | 41 | 68.2 Ų | 68.2 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146.2 | 179.8 | 54.6 | 0 | 0 | 0 | 0 | 111 | I119 | S64-I119 PolarHBondContact N-O 2.04Å; S64-I119 PolarHBondContact O-N 2.73Å; S64-I119 WeakPolarHBondContact OG-CG2 3.22Å |
| 65 | L | 95.1 | Very high | 87.7 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 140.6 | 169.3 | -65.5 | 171.6 | 0 | 0 | 0 | 108.1 | V73 I77 L91 L116 R117 I118 I135 F137 | L65-V73 HydrophobicContact CB-CG1 3.8Å; L65-V73 HydrophobicContact CB-CG2 4.11Å; L65-V73 HydrophobicContact CD1-CG1 4.4Å; L65-V73 WeakPolarHBondContact O-CG2 3.2Å; L65-I77 HydrophobicContact CD1-CB 4.31Å; L65-I77 HydrophobicContact CD1-CG2 3.52Å; L65-L91 HydrophobicContact CD1-CD2 4.44Å; L65-L91 HydrophobicContact CD2-CD2 4.44Å; L65-L116 HydrophobicContact CD1-CD1 4.25Å; L65-R117 CarbonylContact C-O 3.57Å; L65-R117 WeakPolarHBondContact CA-O 3.26Å; L65-I118 HydrophobicContact CD2-CB 4.16Å; L65-I118 HydrophobicContact CD2-CG1 4.24Å; L65-I135 HydrophobicContact CD2-CG2 4.09Å; L65-F137 HydrophobicContact CD1-CZ 4.06Å; L65-F137 HydrophobicContact CD2-CZ 4.2Å |
| 66 | L | 93.8 | Very high | 88.2 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 147.9 | 176.9 | -56.4 | 173 | 0 | 0 | 0 | 108.7 | V73 R117 I119 | L66-V73 VanDerWaalsContact C-CG2 3.46Å; L66-R117 HydrophobicContact CB-CB 4.22Å; L66-R117 PolarHBondContact N-O 2.78Å; L66-R117 PolarHBondContact O-N 2.88Å; L66-I119 HydrophobicContact CD1-CB 4.23Å; L66-I119 HydrophobicContact CD1-CG2 3.96Å; L66-I119 HydrophobicContact CD2-CG2 4.42Å; L66-I119 HydrophobicContact CG-CG2 4.11Å |
| 67 | A | 91.1 | Very high | 89.3 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | trans | -60.9 | 148.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | N71 | A67-N71 WeakPolarHBondContact CA-O 3.31Å; A67-N71 WeakPolarHBondContact CB-O 3.31Å | ||
| 68 | S | 89.2 | Confident | 90 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | trans | -97.6 | 175.8 | 164.7 | 82.8 | 0 | 0 | 0 | 0 | 109.9 | R70 N71 H115 | S68-R70 PolarHBondContact O-N 3.21Å; S68-R70 PolarHBondContact OG-N 2.91Å; S68-N71 PolarHBondContact N-O 3.25Å; S68-N71 PolarHBondContact O-N 3.13Å; S68-N71 PolarHBondContact OG-N 2.86Å; S68-H115 VanDerWaalsContact CB-O 3.22Å; S68-H115 WeakPolarHBondContact CB-O 3.44Å; S68-H115 PolarHBondContact OG-O 3.42Å | ||
| 69 | D | 82.4 | Confident | 90.5 | Very high | 156 Ų | 156 | 55.7 Ų | 55.7 | 83% | 0.834 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -58.5 | -18.5 | 176.6 | -50.7 | -39.1 | 0 | 0 | 0 | 113 | ||
| 70 | R | 81.4 | Confident | 90.6 | Very high | 214 Ų | 214 | 54.2 Ų | 54.2 | 81% | 0.808 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -116 | -23.9 | -174.7 | -62.8 | -174.5 | -179 | -170.8 | 0.6 | 114.8 | S68 | S68-R70 PolarHBondContact O-N 3.21Å; S68-R70 PolarHBondContact OG-N 2.91Å |
| 71 | N | 88.1 | Confident | 90.6 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | trans | -133.6 | 134.2 | -170.1 | -66.5 | 108.6 | 0 | 0 | 0 | 111.4 | A67 S68 E108 H115 L116 | A67-N71 WeakPolarHBondContact CA-O 3.31Å; A67-N71 WeakPolarHBondContact CB-O 3.31Å; S68-N71 PolarHBondContact N-O 3.25Å; S68-N71 PolarHBondContact O-N 3.13Å; S68-N71 PolarHBondContact OG-N 2.86Å; N71-E108 WeakPolarHBondContact CA-OE1 3.27Å; N71-E108 HydrophobicContact CB-CG 4.45Å; N71-E108 PolarHBondContact ND2-OE1 2.87Å; N71-H115 WeakPolarHBondContact CB-O 3.3Å; N71-H115 PolarHBondContact OD1-N 3.18Å; N71-L116 HydrophobicContact CB-CD2 3.93Å | ||
| 72 | N | 88.7 | Confident | 90.5 | Very high | 122 Ų | 122 | 57.7 Ų | 57.7 | 65% | 0.652 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 152.9 | 171.1 | -71.7 | -31.3 | 0 | 0 | 0 | 109.6 | P74 E108 | N72-P74 VanDerWaalsContact O-CD 3.28Å; N72-P74 WeakPolarHBondContact O-CD 3.35Å; N72-E108 PolarHBondContact N-OE1 2.79Å |
| 73 | V | 90 | Very high | 90.3 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 35% | 0.345 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 117.9 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | L65 L66 L116 | L65-V73 HydrophobicContact CB-CG1 3.8Å; L65-V73 HydrophobicContact CB-CG2 4.11Å; L65-V73 HydrophobicContact CD1-CG1 4.4Å; L65-V73 WeakPolarHBondContact O-CG2 3.2Å; L66-V73 VanDerWaalsContact C-CG2 3.46Å; V73-L116 HydrophobicContact CG2-CD2 4.45Å |
| 74 | P | 89.4 | Confident | 90.1 | Very high | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.065 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 142.1 | -179.5 | 26.4 | -30.4 | 0 | 0 | 0 | 111.1 | N72 F76 I77 Y114 | N72-P74 VanDerWaalsContact O-CD 3.28Å; N72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-F76 HydrophobicContact CB-CD1 3.74Å; P74-F76 HydrophobicContact CB-CD2 4.1Å; P74-F76 HydrophobicContact CB-CE1 3.32Å; P74-F76 HydrophobicContact CB-CE2 3.7Å; P74-F76 HydrophobicContact CB-CG 4.1Å; P74-F76 HydrophobicContact CB-CZ 3.29Å; P74-F76 HydrophobicContact CG-CD2 4.34Å; P74-F76 HydrophobicContact CG-CE1 4.32Å; P74-F76 HydrophobicContact CG-CE2 3.82Å; P74-F76 HydrophobicContact CG-CZ 3.81Å; P74-F76 PolarHBondContact O-N 3.37Å; P74-F76 VanDerWaalsContact O-N 3.1Å; P74-I77 HydrophobicContact CG-CB 4.29Å; P74-I77 HydrophobicContact CG-CD1 4.29Å; P74-I77 HydrophobicContact CG-CG1 4.17Å; P74-I77 PolarHBondContact O-N 3.04Å; P74-Y114 HydrophobicContact CG-CE2 4.13Å |
| 75 | S | 87.6 | Confident | 89.8 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -11.6 | 178.3 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | H78 L97 | S75-H78 PolarHBondContact O-CE1 2.85Å; S75-L97 VanDerWaalsContact O-CD1 3.27Å; S75-L97 WeakPolarHBondContact O-CD1 3.42Å |
| 76 | F | 91.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.009 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 0.6 | 178.4 | 54.1 | -99.8 | 0 | 0 | 0 | 113.7 | P74 F93 N94 L97 Y98 A101 E108 A109 | P74-F76 HydrophobicContact CB-CD1 3.74Å; P74-F76 HydrophobicContact CB-CD2 4.1Å; P74-F76 HydrophobicContact CB-CE1 3.32Å; P74-F76 HydrophobicContact CB-CE2 3.7Å; P74-F76 HydrophobicContact CB-CG 4.1Å; P74-F76 HydrophobicContact CB-CZ 3.29Å; P74-F76 HydrophobicContact CG-CD2 4.34Å; P74-F76 HydrophobicContact CG-CE1 4.32Å; P74-F76 HydrophobicContact CG-CE2 3.82Å; P74-F76 HydrophobicContact CG-CZ 3.81Å; P74-F76 PolarHBondContact O-N 3.37Å; P74-F76 VanDerWaalsContact O-N 3.1Å; F76-F93 HydrophobicContact CD2-CD2 4.04Å; F76-F93 AromaticContact CD2-CE2 3.82Å; F76-F93 HydrophobicContact CD2-CE2 3.82Å; F76-F93 HydrophobicContact CE2-CE2 4.38Å; F76-F93 WeakPolarHBondContact O-CA 3.27Å; F76-N94 HydrophobicContact CB-CB 4.49Å; F76-N94 WeakPolarHBondContact CB-O 3.48Å; F76-N94 PolarHBondContact O-N 2.71Å; F76-L97 HydrophobicContact CB-CB 3.73Å; F76-Y98 HydrophobicContact CD1-CD2 4.42Å; F76-Y98 HydrophobicContact CD2-CD2 4.16Å; F76-Y98 HydrophobicContact CE1-CD2 4.19Å; F76-Y98 AromaticContact CE2-CD2 3.95Å; F76-Y98 HydrophobicContact CE2-CD2 3.95Å; F76-Y98 HydrophobicContact CG-CD2 4.42Å; F76-Y98 AromaticContact CZ-CD2 3.96Å; F76-Y98 HydrophobicContact CZ-CD2 3.96Å; F76-A101 HydrophobicContact CD1-CB 3.78Å; F76-A101 HydrophobicContact CE1-CB 3.75Å; F76-E108 HydrophobicContact CZ-CB 4.27Å; F76-A109 HydrophobicContact CE1-CB 4.22Å; F76-A109 HydrophobicContact CZ-CB 4.32Å |
| 77 | I | 92.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 131.4 | 176.4 | -56.9 | -171.1 | 0 | 0 | 0 | 111.4 | V37 I44 L65 P74 L91 T92 F93 Y114 F137 | V37-I77 HydrophobicContact CG2-CD1 4.29Å; I44-I77 HydrophobicContact CD1-CB 4.4Å; I44-I77 HydrophobicContact CD1-CD1 3.92Å; I44-I77 HydrophobicContact CD1-CG1 3.99Å; I44-I77 HydrophobicContact CD1-CG2 3.71Å; L65-I77 HydrophobicContact CD1-CB 4.31Å; L65-I77 HydrophobicContact CD1-CG2 3.52Å; P74-I77 HydrophobicContact CG-CB 4.29Å; P74-I77 HydrophobicContact CG-CD1 4.29Å; P74-I77 HydrophobicContact CG-CG1 4.17Å; P74-I77 PolarHBondContact O-N 3.04Å; I77-L91 HydrophobicContact CG2-CB 4.45Å; I77-T92 WeakPolarHBondContact CA-O 3.19Å; I77-F93 HydrophobicContact CG1-CD2 4.48Å; I77-Y114 HydrophobicContact CD1-CE2 4.39Å; I77-Y114 WeakPolarHBondContact CD1-OH 3.3Å; I77-F137 HydrophobicContact CD1-CD1 3.66Å; I77-F137 HydrophobicContact CD1-CE1 3.61Å; I77-F137 HydrophobicContact CD1-CZ 4.42Å; I77-F137 HydrophobicContact CG2-CE1 4.04Å; I77-F137 HydrophobicContact CG2-CZ 4.32Å |
| 78 | H | 91.6 | Very high | 89.2 | Confident | 99 Ų | 99 | 71.2 Ų | 71.2 | 46% | 0.458 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144.7 | 176.1 | -60 | 87.1 | 0 | 0 | 0 | 111.6 | S75 L91 T92 | S75-H78 PolarHBondContact O-CE1 2.85Å; H78-L91 CarbonylContact O-C 3.59Å; H78-L91 WeakPolarHBondContact O-CA 3.25Å; H78-T92 PolarHBondContact N-O 3.36Å; H78-T92 PolarHBondContact O-N 3.08Å; H78-T92 PolarHBondContact O-OG1 3.28Å |
| 79 | G | 92.7 | Very high | 89.4 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 132.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I63 | I63-G79 CarbonylContact O-C 3.27Å |
| 80 | N | 93.3 | Very high | 89.9 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.5 | -179.3 | -70 | -30.8 | 0 | 0 | 0 | 110.3 | I63 G89 Y90 T92 | I63-N80 WeakPolarHBondContact CD1-O 3.49Å; N80-G89 WeakPolarHBondContact O-CA 3.47Å; N80-Y90 HydrophobicContact CB-CD1 3.84Å; N80-Y90 HydrophobicContact CB-CD2 4.49Å; N80-Y90 HydrophobicContact CB-CE1 3.32Å; N80-Y90 HydrophobicContact CB-CE2 4.04Å; N80-Y90 HydrophobicContact CB-CG 4.41Å; N80-Y90 VanDerWaalsContact CB-CZ 3.42Å; N80-Y90 PolarHBondContact N-O 2.85Å; N80-Y90 PolarHBondContact ND2-OH 2.98Å; N80-Y90 WeakPolarHBondContact O-CD1 3.11Å; N80-Y90 PolarHBondContact O-N 2.73Å; N80-T92 WeakPolarHBondContact ND2-CG2 3.21Å |
| 81 | V | 91.8 | Very high | 90.5 | Very high | 38 Ų | 38 | 57.9 Ų | 57.9 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.7 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | L60 I63 Q84 | L60-V81 HydrophobicContact CB-CG1 4.42Å; L60-V81 HydrophobicContact CD2-CG1 3.98Å; L60-V81 HydrophobicContact CD2-CG2 4.19Å; L60-V81 HydrophobicContact CG-CG1 4.17Å; L60-V81 HydrophobicContact CG-CG2 4.04Å; I63-V81 HydrophobicContact CD1-CG2 4.43Å; V81-Q84 HydrophobicContact CG1-CB 4.48Å; V81-Q84 HydrophobicContact CG1-CG 3.78Å |
| 82 | L | 89.7 | Confident | 90.5 | Very high | 105 Ų | 105 | 59.3 Ų | 59.3 | 55% | 0.55 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -47.7 | 175.4 | -178.2 | 65 | 0 | 0 | 0 | 111.2 | Y88 Y90 | L82-Y88 PolarHBondContact N-O 2.81Å; L82-Y90 HydrophobicContact CB-CD1 3.82Å; L82-Y90 HydrophobicContact CB-CE1 4.4Å; L82-Y90 HydrophobicContact CD1-CD1 4.33Å |
| 83 | N | 88.4 | Confident | 90.6 | Very high | 53 Ų | 53 | 54.2 Ų | 54.2 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 109.5 | -179.8 | -172.8 | -40.6 | 0 | 0 | 0 | 109.7 | E85 K86 G87 Y88 | N83-E85 VanDerWaalsContact C-N 3.3Å; N83-E85 PolarHBondContact O-N 2.88Å; N83-E85 PolarHBondContact OD1-N 2.82Å; N83-K86 HydrophobicContact CB-CB 4.26Å; N83-K86 PolarHBondContact OD1-N 2.8Å; N83-G87 WeakPolarHBondContact O-CA 3.28Å; N83-G87 PolarHBondContact O-N 3Å; N83-Y88 HydrophobicContact CB-CD2 4.38Å; N83-Y88 PolarHBondContact N-O 2.81Å; N83-Y88 VanDerWaalsContact N-O 3.1Å; N83-Y88 PolarHBondContact O-N 2.95Å |
| 84 | Q | 90.4 | Very high | 90.5 | Very high | 101 Ų | 101 | 54.6 Ų | 54.6 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -34.9 | -178.3 | -64.5 | -174.4 | -11.7 | 0 | 0 | 112.7 | L54 K59 L60 V81 | L54-Q84 VanDerWaalsContact CD1-O 3.25Å; L54-Q84 WeakPolarHBondContact CD1-O 3.11Å; K59-Q84 CarbonylContact C-O 3.56Å; K59-Q84 WeakPolarHBondContact CA-O 3.39Å; K59-Q84 HydrophobicContact CB-CB 4.29Å; L60-Q84 PolarHBondContact N-O 3.17Å; L60-Q84 WeakPolarHBondContact O-CG 3.31Å; V81-Q84 HydrophobicContact CG1-CB 4.48Å; V81-Q84 HydrophobicContact CG1-CG 3.78Å |
| 85 | E | 86.8 | Confident | 90.3 | Very high | 136 Ų | 136 | 54.4 Ų | 54.4 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -34.5 | -173.4 | -59.8 | -173.2 | 161.3 | 0 | 0 | 112.7 | L54 K59 N83 | L54-E85 VanDerWaalsContact CD1-O 3.31Å; L54-E85 WeakPolarHBondContact CD1-O 3.46Å; K59-E85 HydrophobicContact CD-CG 4.45Å; K59-E85 IonicContact NZ-OE1 3.95Å; K59-E85 PolarHBondContact NZ-OE1 2.69Å; N83-E85 VanDerWaalsContact C-N 3.3Å; N83-E85 PolarHBondContact O-N 2.88Å; N83-E85 PolarHBondContact OD1-N 2.82Å |
| 86 | K | 87.1 | Confident | 90.3 | Very high | 137 Ų | 137 | 55.8 Ų | 55.8 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -7.2 | 176.6 | -66 | -173.5 | -179.8 | -177.5 | 0 | 113.5 | Q51 N83 Y88 | Q51-K86 PolarHBondContact NE2-O 2.84Å; Q51-K86 VanDerWaalsContact NE2-O 3.12Å; N83-K86 HydrophobicContact CB-CB 4.26Å; N83-K86 PolarHBondContact OD1-N 2.8Å; K86-Y88 HydrophobicContact CB-CD2 3.5Å; K86-Y88 HydrophobicContact CB-CE2 3.7Å; K86-Y88 HydrophobicContact CD-CD2 4.33Å; K86-Y88 HydrophobicContact CD-CE2 4.08Å |
| 87 | G | 89.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 25.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q51 A52 L54 L60 N83 | Q51-G87 CarbonylContact C-O 3.37Å; Q51-G87 VanDerWaalsContact CA-O 3.24Å; Q51-G87 WeakPolarHBondContact CA-O 3.37Å; A52-G87 PolarHBondContact N-O 2.77Å; L54-G87 VanDerWaalsContact CD1-CA 3.44Å; L54-G87 VanDerWaalsContact CD1-N 3.31Å; L60-G87 WeakPolarHBondContact CD2-O 3.38Å; N83-G87 WeakPolarHBondContact O-CA 3.28Å; N83-G87 PolarHBondContact O-N 3Å |
| 88 | Y | 92 | Very high | 89.8 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 31% | 0.306 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 141.4 | -178.5 | -75.3 | -74.4 | 0 | 0 | 0 | 113.2 | I50 Q51 L82 N83 K86 | I50-Y88 WeakPolarHBondContact O-CA 3.09Å; Q51-Y88 HydrophobicContact CB-CD1 3.93Å; Q51-Y88 HydrophobicContact CB-CE1 3.88Å; Q51-Y88 VanDerWaalsContact CD-CE1 3.46Å; Q51-Y88 HydrophobicContact CG-CD1 3.99Å; Q51-Y88 HydrophobicContact CG-CE1 3.84Å; Q51-Y88 HydrophobicContact CG-CG 4.44Å; Q51-Y88 PolarHBondContact NE2-OH 2.88Å; Q51-Y88 PolarHBondContact OE1-OH 2.83Å; L82-Y88 PolarHBondContact N-O 2.81Å; N83-Y88 HydrophobicContact CB-CD2 4.38Å; N83-Y88 PolarHBondContact N-O 2.81Å; N83-Y88 VanDerWaalsContact N-O 3.1Å; N83-Y88 PolarHBondContact O-N 2.95Å; K86-Y88 HydrophobicContact CB-CD2 3.5Å; K86-Y88 HydrophobicContact CB-CE2 3.7Å; K86-Y88 HydrophobicContact CD-CD2 4.33Å; K86-Y88 HydrophobicContact CD-CE2 4.08Å |
| 89 | G | 92.6 | Very high | 89.5 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 162.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I50 N80 | I50-G89 PolarHBondContact O-N 2.98Å; N80-G89 WeakPolarHBondContact O-CA 3.47Å |
| 90 | Y | 92.1 | Very high | 89.2 | Confident | 100 Ų | 100 | 62.3 Ų | 62.3 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158.6 | 169.8 | 71.9 | -74.2 | 0 | 0 | 0 | 110.8 | N80 L82 T92 | N80-Y90 HydrophobicContact CB-CD1 3.84Å; N80-Y90 HydrophobicContact CB-CD2 4.49Å; N80-Y90 HydrophobicContact CB-CE1 3.32Å; N80-Y90 HydrophobicContact CB-CE2 4.04Å; N80-Y90 HydrophobicContact CB-CG 4.41Å; N80-Y90 VanDerWaalsContact CB-CZ 3.42Å; N80-Y90 PolarHBondContact N-O 2.85Å; N80-Y90 PolarHBondContact ND2-OH 2.98Å; N80-Y90 WeakPolarHBondContact O-CD1 3.11Å; N80-Y90 PolarHBondContact O-N 2.73Å; L82-Y90 HydrophobicContact CB-CD1 3.82Å; L82-Y90 HydrophobicContact CB-CE1 4.4Å; L82-Y90 HydrophobicContact CD1-CD1 4.33Å; Y90-T92 HydrophobicContact CD2-CG2 3.93Å; Y90-T92 HydrophobicContact CE2-CG2 3.38Å |
| 91 | L | 93.6 | Very high | 88.8 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 145.6 | 174.6 | -57.1 | -177.6 | 0 | 0 | 0 | 109.7 | A35 I44 V46 I50 L65 I77 H78 I135 F137 | A35-L91 HydrophobicContact CB-CD1 4.44Å; I44-L91 HydrophobicContact CB-CB 3.96Å; I44-L91 HydrophobicContact CD1-CB 3.83Å; I44-L91 HydrophobicContact CG1-CB 4.45Å; I44-L91 HydrophobicContact CG2-CB 3.91Å; I44-L91 HydrophobicContact CG2-CD1 4.15Å; V46-L91 HydrophobicContact CG2-CB 4.47Å; V46-L91 HydrophobicContact CG2-CD1 3.71Å; V46-L91 HydrophobicContact CG2-CG 3.95Å; I50-L91 HydrophobicContact CD1-CD1 4.31Å; I50-L91 HydrophobicContact CD1-CD2 3.9Å; I50-L91 HydrophobicContact CD1-CG 3.72Å; L65-L91 HydrophobicContact CD1-CD2 4.44Å; L65-L91 HydrophobicContact CD2-CD2 4.44Å; I77-L91 HydrophobicContact CG2-CB 4.45Å; H78-L91 CarbonylContact O-C 3.59Å; H78-L91 WeakPolarHBondContact O-CA 3.25Å; L91-I135 HydrophobicContact CD1-CD1 3.89Å; L91-F137 HydrophobicContact CD1-CE1 3.67Å; L91-F137 HydrophobicContact CD1-CZ 3.65Å |
| 92 | T | 89.7 | Confident | 88.4 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.3 | 176.7 | 50.2 | 0 | 0 | 0 | 0 | 111.1 | I44 I77 H78 N80 Y90 | I44-T92 WeakPolarHBondContact CD1-O 3.45Å; I77-T92 WeakPolarHBondContact CA-O 3.19Å; H78-T92 PolarHBondContact N-O 3.36Å; H78-T92 PolarHBondContact O-N 3.08Å; H78-T92 PolarHBondContact O-OG1 3.28Å; N80-T92 WeakPolarHBondContact ND2-CG2 3.21Å; Y90-T92 HydrophobicContact CD2-CG2 3.93Å; Y90-T92 HydrophobicContact CE2-CG2 3.38Å |
| 93 | F | 89.6 | Confident | 88.1 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.2 | 177.3 | 177 | -111.4 | 0 | 0 | 0 | 110.7 | V37 H42 I44 F76 I77 Y98 | V37-F93 HydrophobicContact CG1-CD1 4.32Å; V37-F93 HydrophobicContact CG1-CD2 3.5Å; V37-F93 HydrophobicContact CG1-CE1 4.38Å; V37-F93 HydrophobicContact CG1-CE2 3.59Å; V37-F93 HydrophobicContact CG1-CG 3.88Å; V37-F93 HydrophobicContact CG1-CZ 4.03Å; H42-F93 HydrophobicContact CB-CD1 4.4Å; H42-F93 AromaticContact ND1-CD1 3.86Å; H42-F93 AromaticContact ND1-CE1 3.82Å; I44-F93 HydrophobicContact CD1-CB 3.84Å; I44-F93 HydrophobicContact CG1-CB 3.66Å; F76-F93 HydrophobicContact CD2-CD2 4.04Å; F76-F93 AromaticContact CD2-CE2 3.82Å; F76-F93 HydrophobicContact CD2-CE2 3.82Å; F76-F93 HydrophobicContact CE2-CE2 4.38Å; F76-F93 WeakPolarHBondContact O-CA 3.27Å; I77-F93 HydrophobicContact CG1-CD2 4.48Å; F93-Y98 HydrophobicContact CE2-CD1 4.37Å; F93-Y98 HydrophobicContact CE2-CD2 4Å; F93-Y98 AromaticContact CE2-CG 3.75Å; F93-Y98 HydrophobicContact CE2-CG 3.75Å; F93-Y98 AromaticContact CZ-CD1 3.69Å; F93-Y98 HydrophobicContact CZ-CD1 3.69Å; F93-Y98 HydrophobicContact CZ-CD2 4.14Å; F93-Y98 HydrophobicContact CZ-CE1 4.42Å; F93-Y98 AromaticContact CZ-CG 3.51Å; F93-Y98 HydrophobicContact CZ-CG 3.51Å |
| 94 | N | 89.5 | Confident | 87.9 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 35% | 0.348 | 34% | 0.34 | S | S | . | . | trans | -100.9 | 97.6 | 173.9 | -173.1 | -35.1 | 0 | 0 | 0 | 110 | F76 T96 L97 Y98 | F76-N94 HydrophobicContact CB-CB 4.49Å; F76-N94 WeakPolarHBondContact CB-O 3.48Å; F76-N94 PolarHBondContact O-N 2.71Å; N94-T96 VanDerWaalsContact C-N 3.26Å; N94-T96 PolarHBondContact O-N 3.31Å; N94-T96 WeakPolarHBondContact OD1-CB 3.21Å; N94-T96 PolarHBondContact OD1-N 2.95Å; N94-T96 VanDerWaalsContact OD1-N 3.16Å; N94-L97 HydrophobicContact CB-CB 4.14Å; N94-L97 HydrophobicContact CB-CD1 4.08Å; N94-L97 HydrophobicContact CB-CG 4.27Å; N94-L97 PolarHBondContact O-N 3.25Å; N94-L97 PolarHBondContact OD1-N 3.39Å; N94-L97 VanDerWaalsContact OD1-N 3.1Å; N94-Y98 PolarHBondContact O-N 2.99Å | ||
| 95 | G | 85.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 6% | 0.062 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.7 | -37.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y98 H99 | G95-Y98 WeakPolarHBondContact O-CB 3.43Å; G95-Y98 PolarHBondContact O-N 3.43Å; G95-H99 PolarHBondContact O-CD2 2.95Å; G95-H99 PolarHBondContact O-N 3.48Å |
| 96 | T | 85.9 | Confident | 87.1 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 62% | 0.62 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.7 | -47.5 | 178.9 | -43.8 | 0 | 0 | 0 | 0 | 111.4 | N94 Y98 H99 L100 | N94-T96 VanDerWaalsContact C-N 3.26Å; N94-T96 PolarHBondContact O-N 3.31Å; N94-T96 WeakPolarHBondContact OD1-CB 3.21Å; N94-T96 PolarHBondContact OD1-N 2.95Å; N94-T96 VanDerWaalsContact OD1-N 3.16Å; T96-Y98 VanDerWaalsContact C-N 3.31Å; T96-Y98 PolarHBondContact O-N 3.12Å; T96-H99 PolarHBondContact O-N 3.39Å; T96-L100 HydrophobicContact CG2-CD1 4.37Å; T96-L100 WeakPolarHBondContact O-CD1 3.34Å; T96-L100 WeakPolarHBondContact O-CG 3.25Å; T96-L100 PolarHBondContact O-N 3.41Å; T96-L100 VanDerWaalsContact O-N 3.08Å |
| 97 | L | 87.2 | Confident | 86.8 | Confident | 59 Ų | 59 | 57.9 Ų | 57.9 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.9 | -33.3 | 176.4 | -70.3 | 178.6 | 0 | 0 | 0 | 112 | S75 F76 N94 L100 A101 | S75-L97 VanDerWaalsContact O-CD1 3.27Å; S75-L97 WeakPolarHBondContact O-CD1 3.42Å; F76-L97 HydrophobicContact CB-CB 3.73Å; N94-L97 HydrophobicContact CB-CB 4.14Å; N94-L97 HydrophobicContact CB-CD1 4.08Å; N94-L97 HydrophobicContact CB-CG 4.27Å; N94-L97 PolarHBondContact O-N 3.25Å; N94-L97 PolarHBondContact OD1-N 3.39Å; N94-L97 VanDerWaalsContact OD1-N 3.1Å; L97-L100 HydrophobicContact CD2-CD1 4.33Å; L97-L100 PolarHBondContact O-N 2.98Å; L97-A101 VanDerWaalsContact O-CB 3.25Å; L97-A101 WeakPolarHBondContact O-CB 3.41Å; L97-A101 PolarHBondContact O-N 2.72Å |
| 98 | Y | 87.9 | Confident | 86.5 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 174.4 | 169.3 | -105.2 | 0 | 0 | 0 | 111.9 | E39 F76 F93 N94 G95 T96 L100 A101 K102 A109 H139 | E39-Y98 HydrophobicContact CG-CE1 4.38Å; E39-Y98 WeakPolarHBondContact OE1-CE1 3.38Å; E39-Y98 PolarHBondContact OE1-OH 2.79Å; F76-Y98 HydrophobicContact CD1-CD2 4.42Å; F76-Y98 HydrophobicContact CD2-CD2 4.16Å; F76-Y98 HydrophobicContact CE1-CD2 4.19Å; F76-Y98 AromaticContact CE2-CD2 3.95Å; F76-Y98 HydrophobicContact CE2-CD2 3.95Å; F76-Y98 HydrophobicContact CG-CD2 4.42Å; F76-Y98 AromaticContact CZ-CD2 3.96Å; F76-Y98 HydrophobicContact CZ-CD2 3.96Å; F93-Y98 HydrophobicContact CE2-CD1 4.37Å; F93-Y98 HydrophobicContact CE2-CD2 4Å; F93-Y98 AromaticContact CE2-CG 3.75Å; F93-Y98 HydrophobicContact CE2-CG 3.75Å; F93-Y98 AromaticContact CZ-CD1 3.69Å; F93-Y98 HydrophobicContact CZ-CD1 3.69Å; F93-Y98 HydrophobicContact CZ-CD2 4.14Å; F93-Y98 HydrophobicContact CZ-CE1 4.42Å; F93-Y98 AromaticContact CZ-CG 3.51Å; F93-Y98 HydrophobicContact CZ-CG 3.51Å; N94-Y98 PolarHBondContact O-N 2.99Å; G95-Y98 WeakPolarHBondContact O-CB 3.43Å; G95-Y98 PolarHBondContact O-N 3.43Å; T96-Y98 VanDerWaalsContact C-N 3.31Å; T96-Y98 PolarHBondContact O-N 3.12Å; Y98-L100 VanDerWaalsContact C-N 3.32Å; Y98-L100 PolarHBondContact O-N 2.71Å; Y98-A101 PolarHBondContact O-N 3.42Å; Y98-K102 HydrophobicContact CE1-CD 4.27Å; Y98-K102 WeakPolarHBondContact O-CB 3.45Å; Y98-K102 PolarHBondContact O-N 3.07Å; Y98-K102 PolarHBondContact OH-NZ 2.61Å; Y98-A109 HydrophobicContact CD2-CB 3.91Å; Y98-A109 HydrophobicContact CE2-CB 3.63Å; Y98-H139 AromaticContact CD2-CE1 3.75Å; Y98-H139 AromaticContact CE2-CE1 3.25Å; Y98-H139 WeakPolarHBondContact CE2-CE1 3.45Å; Y98-H139 AromaticContact CE2-ND1 3.64Å; Y98-H139 AromaticContact CZ-CE1 3.79Å; Y98-H139 AromaticContact CZ-ND1 3.7Å |
| 99 | H | 84.2 | Confident | 85.9 | Confident | 113 Ų | 113 | 55.1 Ų | 55.1 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 176.9 | -70.9 | -58.1 | 0 | 0 | 0 | 112.4 | G95 T96 S103 | G95-H99 PolarHBondContact O-CD2 2.95Å; G95-H99 PolarHBondContact O-N 3.48Å; T96-H99 PolarHBondContact O-N 3.39Å; H99-S103 PolarHBondContact O-N 2.79Å; H99-S103 PolarHBondContact O-OG 3.01Å |
| 100 | L | 86.3 | Confident | 85.2 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 170.6 | -78.4 | 156.8 | 0 | 0 | 0 | 111.3 | T96 L97 Y98 K102 S103 F104 | T96-L100 HydrophobicContact CG2-CD1 4.37Å; T96-L100 WeakPolarHBondContact O-CD1 3.34Å; T96-L100 WeakPolarHBondContact O-CG 3.25Å; T96-L100 PolarHBondContact O-N 3.41Å; T96-L100 VanDerWaalsContact O-N 3.08Å; L97-L100 HydrophobicContact CD2-CD1 4.33Å; L97-L100 PolarHBondContact O-N 2.98Å; Y98-L100 VanDerWaalsContact C-N 3.32Å; Y98-L100 PolarHBondContact O-N 2.71Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 3.36Å; L100-S103 PolarHBondContact O-N 2.87Å; L100-S103 PolarHBondContact O-OG 2.88Å; L100-F104 HydrophobicContact CD2-CE2 4.04Å; L100-F104 WeakPolarHBondContact O-CD2 3.5Å; L100-F104 PolarHBondContact O-N 3.06Å |
| 101 | A | 85 | Confident | 84.7 | Confident | 16 Ų | 16 | 62 Ų | 62 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | F76 L97 Y98 F104 G105 S106 A109 | F76-A101 HydrophobicContact CD1-CB 3.78Å; F76-A101 HydrophobicContact CE1-CB 3.75Å; L97-A101 VanDerWaalsContact O-CB 3.25Å; L97-A101 WeakPolarHBondContact O-CB 3.41Å; L97-A101 PolarHBondContact O-N 2.72Å; Y98-A101 PolarHBondContact O-N 3.42Å; A101-F104 CarbonylContact O-C 3.52Å; A101-F104 PolarHBondContact O-N 2.75Å; A101-G105 PolarHBondContact O-N 3.03Å; A101-G105 VanDerWaalsContact O-N 3.12Å; A101-S106 VanDerWaalsContact O-CB 3.3Å; A101-S106 WeakPolarHBondContact O-CB 3.42Å; A101-S106 PolarHBondContact O-N 2.9Å; A101-A109 HydrophobicContact CB-CB 4.37Å |
| 102 | K | 84.2 | Confident | 84.1 | Confident | 103 Ų | 103 | 62.4 Ų | 62.4 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65 | -41 | 175.6 | -165.3 | 169.6 | -171 | 160.8 | 0 | 112 | Y98 L100 G105 A109 | Y98-K102 HydrophobicContact CE1-CD 4.27Å; Y98-K102 WeakPolarHBondContact O-CB 3.45Å; Y98-K102 PolarHBondContact O-N 3.07Å; Y98-K102 PolarHBondContact OH-NZ 2.61Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 3.36Å; K102-G105 PolarHBondContact O-N 3.36Å; K102-A109 HydrophobicContact CB-CB 4Å; K102-A109 HydrophobicContact CG-CB 4.47Å |
| 103 | S | 82.2 | Confident | 83.9 | Confident | 93 Ų | 93 | 64.9 Ų | 64.9 | 65% | 0.65 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.1 | -31.7 | 176.5 | 69.6 | 0 | 0 | 0 | 0 | 113 | H99 L100 G105 | H99-S103 PolarHBondContact O-N 2.79Å; H99-S103 PolarHBondContact O-OG 3.01Å; L100-S103 PolarHBondContact O-N 2.87Å; L100-S103 PolarHBondContact O-OG 2.88Å; S103-G105 VanDerWaalsContact C-N 3.28Å; S103-G105 PolarHBondContact O-N 3.17Å |
| 104 | F | 85.3 | Confident | 83.9 | Confident | 169 Ų | 169 | 64.1 Ų | 64.1 | 74% | 0.741 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 0.3 | 172.3 | -69.9 | -64.8 | 0 | 0 | 0 | 114.3 | L100 A101 | L100-F104 HydrophobicContact CD2-CE2 4.04Å; L100-F104 WeakPolarHBondContact O-CD2 3.5Å; L100-F104 PolarHBondContact O-N 3.06Å; A101-F104 CarbonylContact O-C 3.52Å; A101-F104 PolarHBondContact O-N 2.75Å |
| 105 | G | 79.2 | Confident | 84 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 51% | 0.505 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 27.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A101 K102 S103 L107 | A101-G105 PolarHBondContact O-N 3.03Å; A101-G105 VanDerWaalsContact O-N 3.12Å; K102-G105 PolarHBondContact O-N 3.36Å; S103-G105 VanDerWaalsContact C-N 3.28Å; S103-G105 PolarHBondContact O-N 3.17Å; G105-L107 PolarHBondContact O-N 3.02Å |
| 106 | S | 81.3 | Confident | 84.4 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | trans | -52.9 | 133.2 | 170.2 | 161.4 | 0 | 0 | 0 | 0 | 111 | A101 E108 A109 R110 | A101-S106 VanDerWaalsContact O-CB 3.3Å; A101-S106 WeakPolarHBondContact O-CB 3.42Å; A101-S106 PolarHBondContact O-N 2.9Å; S106-E108 PolarHBondContact OG-OE2 3.5Å; S106-E108 VanDerWaalsContact OG-OE2 3.12Å; S106-A109 PolarHBondContact O-N 2.92Å; S106-A109 PolarHBondContact OG-N 3.41Å; S106-R110 WeakPolarHBondContact O-CB 3.17Å; S106-R110 PolarHBondContact O-N 2.86Å; S106-R110 VanDerWaalsContact O-N 3.08Å | ||
| 107 | L | 80.5 | Confident | 84.8 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | -179.1 | -177.8 | 64.8 | 0 | 0 | 0 | 110.9 | G105 A109 R110 T111 | G105-L107 PolarHBondContact O-N 3.02Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.06Å; L107-R110 PolarHBondContact O-N 3.45Å; L107-R110 VanDerWaalsContact O-N 3.13Å; L107-T111 HydrophobicContact CD1-CG2 3.94Å; L107-T111 HydrophobicContact CG-CG2 4.33Å; L107-T111 WeakPolarHBondContact O-CG2 3.44Å; L107-T111 PolarHBondContact O-N 2.85Å; L107-T111 PolarHBondContact O-OG1 3.18Å |
| 108 | E | 82.5 | Confident | 85.1 | Confident | 20 Ų | 20 | 62 Ų | 62 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | -180 | -64.2 | 70.5 | -153.9 | 0 | 0 | 111.3 | N71 N72 F76 S106 R110 G112 Y114 | N71-E108 WeakPolarHBondContact CA-OE1 3.27Å; N71-E108 HydrophobicContact CB-CG 4.45Å; N71-E108 PolarHBondContact ND2-OE1 2.87Å; N72-E108 PolarHBondContact N-OE1 2.79Å; F76-E108 HydrophobicContact CZ-CB 4.27Å; S106-E108 PolarHBondContact OG-OE2 3.5Å; S106-E108 VanDerWaalsContact OG-OE2 3.12Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 2.7Å; E108-G112 PolarHBondContact O-N 3.43Å; E108-Y114 HydrophobicContact CB-CD1 3.76Å; E108-Y114 HydrophobicContact CB-CD2 4.26Å; E108-Y114 HydrophobicContact CB-CE1 3.97Å; E108-Y114 HydrophobicContact CB-CE2 4.44Å; E108-Y114 HydrophobicContact CB-CG 3.94Å; E108-Y114 HydrophobicContact CG-CD1 4.25Å; E108-Y114 HydrophobicContact CG-CD2 4Å; E108-Y114 HydrophobicContact CG-CE2 4.48Å; E108-Y114 HydrophobicContact CG-CG 3.89Å; E108-Y114 WeakPolarHBondContact O-CD1 3.27Å |
| 109 | A | 79.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.2 | -21.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F76 Y98 A101 K102 S106 L107 | F76-A109 HydrophobicContact CE1-CB 4.22Å; F76-A109 HydrophobicContact CZ-CB 4.32Å; Y98-A109 HydrophobicContact CD2-CB 3.91Å; Y98-A109 HydrophobicContact CE2-CB 3.63Å; A101-A109 HydrophobicContact CB-CB 4.37Å; K102-A109 HydrophobicContact CB-CB 4Å; K102-A109 HydrophobicContact CG-CB 4.47Å; S106-A109 PolarHBondContact O-N 2.92Å; S106-A109 PolarHBondContact OG-N 3.41Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.06Å |
| 110 | R | 79.4 | Confident | 85.9 | Confident | 181 Ų | 181 | 57.6 Ų | 57.6 | 68% | 0.683 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -87.5 | -41.3 | 179.4 | -174 | 177.3 | 66.3 | 179.8 | -1 | 112.6 | S106 L107 E108 | S106-R110 WeakPolarHBondContact O-CB 3.17Å; S106-R110 PolarHBondContact O-N 2.86Å; S106-R110 VanDerWaalsContact O-N 3.08Å; L107-R110 PolarHBondContact O-N 3.45Å; L107-R110 VanDerWaalsContact O-N 3.13Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 2.7Å |
| 111 | T | 81 | Confident | 86.2 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -75 | -29.1 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | L107 F113 | L107-T111 HydrophobicContact CD1-CG2 3.94Å; L107-T111 HydrophobicContact CG-CG2 4.33Å; L107-T111 WeakPolarHBondContact O-CG2 3.44Å; L107-T111 PolarHBondContact O-N 2.85Å; L107-T111 PolarHBondContact O-OG1 3.18Å; T111-F113 WeakPolarHBondContact CB-O 3.48Å; T111-F113 PolarHBondContact O-N 3.21Å; T111-F113 PolarHBondContact OG1-N 2.9Å; T111-F113 PolarHBondContact OG1-O 2.92Å |
| 112 | G | 80.8 | Confident | 86.5 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 65.9 | -2.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E108 E138 H139 | E108-G112 PolarHBondContact O-N 3.43Å; G112-E138 CarbonylContact O-C 3.59Å; G112-E138 WeakPolarHBondContact O-CA 3.27Å; G112-H139 WeakPolarHBondContact O-CB 3.43Å; G112-H139 PolarHBondContact O-CD2 3.18Å; G112-H139 PolarHBondContact O-N 2.69Å |
| 113 | F | 85.8 | Confident | 86.7 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 123.6 | 178.5 | -175.7 | -95.2 | 0 | 0 | 0 | 109.9 | T111 H115 F137 E138 | T111-F113 WeakPolarHBondContact CB-O 3.48Å; T111-F113 PolarHBondContact O-N 3.21Å; T111-F113 PolarHBondContact OG1-N 2.9Å; T111-F113 PolarHBondContact OG1-O 2.92Å; F113-H115 AromaticContact CE1-CE1 3.45Å; F113-H115 VanDerWaalsContact CE1-CE1 3.45Å; F113-H115 WeakPolarHBondContact CE1-CE1 3.4Å; F113-H115 AromaticContact CE1-NE2 3.31Å; F113-H115 VanDerWaalsContact CE1-NE2 3.31Å; F113-H115 WeakPolarHBondContact CE1-NE2 3.05Å; F113-H115 AromaticContact CZ-CE1 3.5Å; F113-H115 AromaticContact CZ-NE2 3.88Å; F113-F137 VanDerWaalsContact CA-O 3.25Å; F113-F137 WeakPolarHBondContact CA-O 3.24Å; F113-F137 WeakPolarHBondContact CD2-O 3.46Å; F113-E138 HydrophobicContact CD2-CB 4.18Å; F113-E138 HydrophobicContact CD2-CG 4.39Å |
| 114 | Y | 89.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 161.7 | -177.1 | 51.4 | -85.5 | 0 | 0 | 0 | 112.6 | P74 I77 E108 L116 F137 H139 | P74-Y114 HydrophobicContact CG-CE2 4.13Å; I77-Y114 HydrophobicContact CD1-CE2 4.39Å; I77-Y114 WeakPolarHBondContact CD1-OH 3.3Å; E108-Y114 HydrophobicContact CB-CD1 3.76Å; E108-Y114 HydrophobicContact CB-CD2 4.26Å; E108-Y114 HydrophobicContact CB-CE1 3.97Å; E108-Y114 HydrophobicContact CB-CE2 4.44Å; E108-Y114 HydrophobicContact CB-CG 3.94Å; E108-Y114 HydrophobicContact CG-CD1 4.25Å; E108-Y114 HydrophobicContact CG-CD2 4Å; E108-Y114 HydrophobicContact CG-CE2 4.48Å; E108-Y114 HydrophobicContact CG-CG 3.89Å; E108-Y114 WeakPolarHBondContact O-CD1 3.27Å; Y114-L116 HydrophobicContact CD2-CD1 4.39Å; Y114-L116 HydrophobicContact CD2-CG 4.26Å; Y114-L116 HydrophobicContact CE2-CD1 4.24Å; Y114-F137 HydrophobicContact CD1-CB 4.21Å; Y114-F137 HydrophobicContact CD2-CB 3.81Å; Y114-F137 AromaticContact CD2-CD2 3.89Å; Y114-F137 HydrophobicContact CD2-CD2 3.89Å; Y114-F137 HydrophobicContact CD2-CG 4.05Å; Y114-F137 HydrophobicContact CE1-CB 3.83Å; Y114-F137 HydrophobicContact CE2-CB 3.4Å; Y114-F137 VanDerWaalsContact CE2-CB 3.4Å; Y114-F137 HydrophobicContact CE2-CD1 4.13Å; Y114-F137 AromaticContact CE2-CD2 3.54Å; Y114-F137 HydrophobicContact CE2-CD2 3.54Å; Y114-F137 HydrophobicContact CE2-CE2 4.36Å; Y114-F137 AromaticContact CE2-CG 3.41Å; Y114-F137 HydrophobicContact CE2-CG 3.41Å; Y114-F137 VanDerWaalsContact CE2-CG 3.41Å; Y114-F137 HydrophobicContact CG-CB 4.18Å; Y114-F137 AromaticContact CZ-CG 3.74Å; Y114-F137 PolarHBondContact N-O 3.47Å; Y114-F137 VanDerWaalsContact N-O 3.15Å; Y114-F137 PolarHBondContact O-N 3.12Å; Y114-H139 AromaticContact CE1-CD2 3.76Å; Y114-H139 AromaticContact CE1-NE2 3.47Å; Y114-H139 WeakPolarHBondContact CE1-NE2 3.44Å; Y114-H139 AromaticContact CZ-NE2 3.84Å; Y114-H139 PolarHBondContact OH-NE2 3.28Å |
| 115 | H | 90.7 | Very high | 86.9 | Confident | 76 Ų | 76 | 50.8 Ų | 50.8 | 35% | 0.352 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.2 | -175.2 | -57.3 | -72.8 | 0 | 0 | 0 | 111.6 | S68 N71 F113 T136 | S68-H115 VanDerWaalsContact CB-O 3.22Å; S68-H115 WeakPolarHBondContact CB-O 3.44Å; S68-H115 PolarHBondContact OG-O 3.42Å; N71-H115 WeakPolarHBondContact CB-O 3.3Å; N71-H115 PolarHBondContact OD1-N 3.18Å; F113-H115 AromaticContact CE1-CE1 3.45Å; F113-H115 VanDerWaalsContact CE1-CE1 3.45Å; F113-H115 WeakPolarHBondContact CE1-CE1 3.4Å; F113-H115 AromaticContact CE1-NE2 3.31Å; F113-H115 VanDerWaalsContact CE1-NE2 3.31Å; F113-H115 WeakPolarHBondContact CE1-NE2 3.05Å; F113-H115 AromaticContact CZ-CE1 3.5Å; F113-H115 AromaticContact CZ-NE2 3.88Å; H115-T136 WeakPolarHBondContact ND1-CG2 3.33Å |
| 116 | L | 94.3 | Very high | 87.1 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | -176.2 | 173.4 | -60.2 | 176.8 | 0 | 0 | 0 | 109.5 | L65 N71 V73 Y114 I135 F137 | L65-L116 HydrophobicContact CD1-CD1 4.25Å; N71-L116 HydrophobicContact CB-CD2 3.93Å; V73-L116 HydrophobicContact CG2-CD2 4.45Å; Y114-L116 HydrophobicContact CD2-CD1 4.39Å; Y114-L116 HydrophobicContact CD2-CG 4.26Å; Y114-L116 HydrophobicContact CE2-CD1 4.24Å; L116-I135 HydrophobicContact CB-CG2 3.92Å; L116-I135 PolarHBondContact N-O 2.92Å; L116-I135 WeakPolarHBondContact O-CG2 3.28Å; L116-I135 PolarHBondContact O-N 3.12Å; L116-I135 VanDerWaalsContact O-O 3.11Å; L116-F137 HydrophobicContact CB-CE2 4.1Å; L116-F137 HydrophobicContact CD1-CD2 4.19Å; L116-F137 HydrophobicContact CD1-CE2 3.69Å; L116-F137 HydrophobicContact CD1-CZ 4.34Å; L116-F137 HydrophobicContact CG-CD2 4.35Å; L116-F137 HydrophobicContact CG-CE2 4.09Å |
| 117 | R | 93.3 | Very high | 87.3 | Confident | 107 Ų | 107 | 55.2 Ų | 55.2 | 40% | 0.404 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.6 | 165.7 | -51 | -174.5 | 178.4 | -160.3 | 1.5 | 110.6 | L65 L66 S132 W133 | L65-R117 CarbonylContact C-O 3.57Å; L65-R117 WeakPolarHBondContact CA-O 3.26Å; L66-R117 HydrophobicContact CB-CB 4.22Å; L66-R117 PolarHBondContact N-O 2.78Å; L66-R117 PolarHBondContact O-N 2.88Å; R117-S132 WeakPolarHBondContact CB-OG 3.47Å; R117-S132 WeakPolarHBondContact CD-OG 3.45Å; R117-W133 CarbonylContact C-O 3.59Å; R117-W133 WeakPolarHBondContact CA-O 3.44Å; R117-W133 WeakPolarHBondContact CB-O 3.42Å |
| 118 | I | 94.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.3 | 178.9 | -169.8 | 171.3 | 0 | 0 | 0 | 110 | W23 F33 I50 I63 L65 S132 W133 I135 | W23-I118 HydrophobicContact CH2-CD1 4.18Å; W23-I118 HydrophobicContact CH2-CG1 3.92Å; W23-I118 HydrophobicContact CH2-CG2 4.32Å; W23-I118 HydrophobicContact CZ2-CB 4.43Å; W23-I118 HydrophobicContact CZ2-CG1 4.14Å; W23-I118 HydrophobicContact CZ2-CG2 3.88Å; F33-I118 HydrophobicContact CD2-CG2 3.55Å; F33-I118 HydrophobicContact CE2-CG2 3.61Å; F33-I118 HydrophobicContact CG-CG2 4.44Å; I50-I118 HydrophobicContact CD1-CD1 3.66Å; I50-I118 HydrophobicContact CG1-CD1 3.98Å; I50-I118 HydrophobicContact CG2-CD1 4.07Å; I63-I118 HydrophobicContact CG2-CD1 3.86Å; I63-I118 HydrophobicContact CG2-CG1 4.02Å; L65-I118 HydrophobicContact CD2-CB 4.16Å; L65-I118 HydrophobicContact CD2-CG1 4.24Å; I118-S132 WeakPolarHBondContact O-CA 3.28Å; I118-W133 HydrophobicContact CG2-CB 4.18Å; I118-W133 PolarHBondContact N-O 2.68Å; I118-W133 PolarHBondContact O-N 3.12Å; I118-I135 HydrophobicContact CB-CG2 4.2Å; I118-I135 HydrophobicContact CD1-CD1 4.44Å; I118-I135 HydrophobicContact CG2-CB 4.4Å; I118-I135 HydrophobicContact CG2-CG2 4.48Å |
| 119 | I | 94.1 | Very high | 88 | Confident | 23 Ų | 23 | 55.7 Ų | 55.7 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147 | 174.1 | -167.9 | 167.8 | 0 | 0 | 0 | 109.5 | I63 S64 L66 T130 | I63-I119 WeakPolarHBondContact CA-O 3.12Å; S64-I119 PolarHBondContact N-O 2.04Å; S64-I119 PolarHBondContact O-N 2.73Å; S64-I119 WeakPolarHBondContact OG-CG2 3.22Å; L66-I119 HydrophobicContact CD1-CB 4.23Å; L66-I119 HydrophobicContact CD1-CG2 3.96Å; L66-I119 HydrophobicContact CD2-CG2 4.42Å; L66-I119 HydrophobicContact CG-CG2 4.11Å; I119-T130 VanDerWaalsContact CD1-O 3.31Å; I119-T130 WeakPolarHBondContact CD1-O 3.06Å; I119-T130 VanDerWaalsContact CG1-O 3.3Å; I119-T130 WeakPolarHBondContact CG1-O 3.27Å |
| 120 | A | 93.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.3 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | W23 A52 L60 S62 I63 S129 T130 | W23-A120 HydrophobicContact CH2-CB 3.39Å; W23-A120 HydrophobicContact CZ2-CB 4.08Å; W23-A120 HydrophobicContact CZ3-CB 3.64Å; A52-A120 HydrophobicContact CB-CB 4.12Å; L60-A120 HydrophobicContact CD1-CB 3.76Å; S62-A120 WeakPolarHBondContact O-CA 3.31Å; I63-A120 HydrophobicContact CG1-CB 4.35Å; A120-S129 CarbonylContact O-C 3.55Å; A120-S129 VanDerWaalsContact O-CA 3.29Å; A120-S129 WeakPolarHBondContact O-CA 3.48Å; A120-T130 HydrophobicContact CB-CG2 3.96Å; A120-T130 PolarHBondContact N-OG1 3.42Å; A120-T130 PolarHBondContact O-N 2.78Å |
| 121 | E | 92.9 | Very high | 88.9 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134 | 179.8 | -57.9 | 175.1 | 146.6 | 0 | 0 | 110.1 | C61 S62 P127 K128 | C61-E121 PolarHBondContact N-O 2.71Å; S62-E121 PolarHBondContact N-O 2.73Å; S62-E121 VanDerWaalsContact N-O 3.12Å; S62-E121 PolarHBondContact O-N 2.84Å; S62-E121 WeakPolarHBondContact OG-CB 3.49Å; S62-E121 PolarHBondContact OG-OE2 2.87Å; E121-P127 HydrophobicContact CB-CB 4.31Å; E121-K128 WeakPolarHBondContact CA-O 3.28Å |
| 122 | D | 91.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.011 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 173.3 | 171.6 | 82.5 | -3.4 | 0 | 0 | 0 | 112 | L21 K59 S124 K128 | L21-D122 HydrophobicContact CD2-CB 4.36Å; K59-D122 CarbonylContact O-C 3.42Å; K59-D122 WeakPolarHBondContact O-CA 3.48Å; K59-D122 WeakPolarHBondContact O-CB 3.23Å; D122-S124 VanDerWaalsContact C-N 3.25Å; D122-S124 PolarHBondContact O-N 2.82Å; D122-S124 WeakPolarHBondContact OD1-CB 3.45Å; D122-S124 PolarHBondContact OD1-N 3.41Å; D122-S124 PolarHBondContact OD1-OG 3.01Å; D122-S124 PolarHBondContact OD2-OG 2.87Å; D122-K128 PolarHBondContact N-O 3.28Å; D122-K128 PolarHBondContact OD1-N 3.41Å |
| 123 | C | 89.6 | Confident | 89.7 | Confident | 55 Ų | 55 | 53.5 Ų | 53.5 | 37% | 0.372 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -84.9 | 14.2 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | K59 C61 | K59-C123 HydrophobicContact CB-CB 4.43Å; K59-C123 PolarHBondContact O-N 2.94Å; K59-C123 PolarHBondContact O-SG 2.72Å; C61-C123 VanDerWaalsContact CA-SG 3.56Å; C61-C123 HydrophobicContact CB-CB 4.01Å; C61-C123 WeakPolarHBondContact CB-SG 3.39Å; C61-C123 WeakPolarHBondContact SG-CA 3.37Å; C61-C123 WeakPolarHBondContact SG-CB 3.45Å; C61-C123 CovalentContact SG-SG 2.03Å; C61-C123 PolarHBondContact SG-SG 3.38Å |
| 124 | S | 85.6 | Confident | 90 | Very high | 38 Ų | 38 | 52 Ų | 52 | 27% | 0.266 | 28% | 0.278 | S | S | . | . | trans | -70.2 | 161.5 | 178.2 | -61 | 0 | 0 | 0 | 0 | 110.9 | D122 P126 P127 | D122-S124 VanDerWaalsContact C-N 3.25Å; D122-S124 PolarHBondContact O-N 2.82Å; D122-S124 WeakPolarHBondContact OD1-CB 3.45Å; D122-S124 PolarHBondContact OD1-N 3.41Å; D122-S124 PolarHBondContact OD1-OG 3.01Å; D122-S124 PolarHBondContact OD2-OG 2.87Å; S124-P126 VanDerWaalsContact C-C 3.41Å; S124-P126 CarbonylContact C-O 3.49Å; S124-P126 VanDerWaalsContact C-O 3.27Å; S124-P126 VanDerWaalsContact CB-O 3.28Å; S124-P126 WeakPolarHBondContact CB-O 3.28Å; S124-P126 CarbonylContact O-C 3.16Å; S124-P127 WeakPolarHBondContact O-CA 3.45Å | ||
| 125 | N | 84.5 | Confident | 90.2 | Very high | 164 Ų | 164 | 52 Ų | 52 | 88% | 0.877 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -125 | 103 | 172.1 | -91.2 | -32.5 | 0 | 0 | 0 | 109.6 | ||
| 126 | P | 84.4 | Confident | 90.2 | Very high | 111 Ų | 111 | 49 Ų | 49 | 72% | 0.721 | 27% | 0.265 | S | S | * | . | S | Bend | cis | -70.2 | 153.1 | 1.7 | 30.6 | -35.4 | 0 | 0 | 0 | 112.9 | S124 | S124-P126 VanDerWaalsContact C-C 3.41Å; S124-P126 CarbonylContact C-O 3.49Å; S124-P126 VanDerWaalsContact C-O 3.27Å; S124-P126 VanDerWaalsContact CB-O 3.28Å; S124-P126 WeakPolarHBondContact CB-O 3.28Å; S124-P126 CarbonylContact O-C 3.16Å |
| 127 | P | 85 | Confident | 90.1 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -66 | 138.5 | 178.8 | 26.2 | -33.4 | 0 | 0 | 0 | 110.3 | E121 S124 | E121-P127 HydrophobicContact CB-CB 4.31Å; S124-P127 WeakPolarHBondContact O-CA 3.45Å |
| 128 | K | 87.5 | Confident | 89.8 | Confident | 64 Ų | 64 | 47.1 Ų | 47.1 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 122.4 | 171.4 | -58.4 | 179.6 | -175 | 177.9 | 0 | 108.2 | C19 E121 D122 | C19-K128 VanDerWaalsContact SG-CE 3.53Å; C19-K128 PolarHBondContact SG-NZ 2.82Å; C19-K128 VanDerWaalsContact SG-NZ 3.36Å; E121-K128 WeakPolarHBondContact CA-O 3.28Å; D122-K128 PolarHBondContact N-O 3.28Å; D122-K128 PolarHBondContact OD1-N 3.41Å |
| 129 | S | 89.6 | Confident | 89.3 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -102.5 | 151.9 | -178.1 | -32.5 | 0 | 0 | 0 | 0 | 111.1 | L21 A120 | L21-S129 PolarHBondContact N-O 3.1Å; A120-S129 CarbonylContact O-C 3.55Å; A120-S129 VanDerWaalsContact O-CA 3.29Å; A120-S129 WeakPolarHBondContact O-CA 3.48Å |
| 130 | T | 90.2 | Very high | 88.4 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -71.7 | 160.6 | 163.7 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | L21 W23 I119 A120 S132 | L21-T130 HydrophobicContact CB-CG2 3.81Å; L21-T130 HydrophobicContact CD2-CG2 3.89Å; L21-T130 HydrophobicContact CG-CG2 3.86Å; L21-T130 VanDerWaalsContact O-CA 3.28Å; L21-T130 WeakPolarHBondContact O-CA 3.4Å; W23-T130 HydrophobicContact CD2-CG2 4.03Å; W23-T130 HydrophobicContact CE3-CG2 4.43Å; W23-T130 HydrophobicContact CG-CG2 4.36Å; W23-T130 HydrophobicContact CZ2-CG2 4.35Å; W23-T130 WeakPolarHBondContact CZ2-OG1 3.37Å; W23-T130 PolarHBondContact NE1-OG1 2.9Å; I119-T130 VanDerWaalsContact CD1-O 3.31Å; I119-T130 WeakPolarHBondContact CD1-O 3.06Å; I119-T130 VanDerWaalsContact CG1-O 3.3Å; I119-T130 WeakPolarHBondContact CG1-O 3.27Å; A120-T130 HydrophobicContact CB-CG2 3.96Å; A120-T130 PolarHBondContact N-OG1 3.42Å; A120-T130 PolarHBondContact O-N 2.78Å; T130-S132 PolarHBondContact O-N 2.87Å |
| 131 | K | 87.9 | Confident | 87.2 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 133.8 | 161.6 | -78.6 | -179.7 | 168.4 | 140.7 | 0 | 109.4 | E20 W23 W133 | E20-K131 WeakPolarHBondContact OE1-CE 3.25Å; E20-K131 IonicContact OE1-NZ 2.76Å; E20-K131 PolarHBondContact OE1-NZ 3.17Å; E20-K131 WeakPolarHBondContact OE2-CE 3.44Å; E20-K131 IonicContact OE2-NZ 3.01Å; E20-K131 PolarHBondContact OE2-NZ 2.88Å; W23-K131 PolarHBondContact NE1-O 3Å; W23-K131 VanDerWaalsContact NE1-O 3.08Å; K131-W133 PolarHBondContact O-N 2.74Å |
| 132 | S | 89.3 | Confident | 85.8 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 122.1 | 171.6 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | R117 I118 T130 | R117-S132 WeakPolarHBondContact CB-OG 3.47Å; R117-S132 WeakPolarHBondContact CD-OG 3.45Å; I118-S132 WeakPolarHBondContact O-CA 3.28Å; T130-S132 PolarHBondContact O-N 2.87Å |
| 133 | W | 90.8 | Very high | 84.8 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 144 | -173.9 | -147.5 | -97.3 | 0 | 0 | 0 | 111.1 | E31 F33 R117 I118 K131 | E31-W133 PolarHBondContact O-NE1 3.34Å; F33-W133 HydrophobicContact CD2-CB 4.39Å; F33-W133 AromaticContact CD2-CD1 3.84Å; F33-W133 HydrophobicContact CD2-CG 4.44Å; F33-W133 HydrophobicContact CE2-CB 4.22Å; F33-W133 HydrophobicContact CE2-CG 4.32Å; R117-W133 CarbonylContact C-O 3.59Å; R117-W133 WeakPolarHBondContact CA-O 3.44Å; R117-W133 WeakPolarHBondContact CB-O 3.42Å; I118-W133 HydrophobicContact CG2-CB 4.18Å; I118-W133 PolarHBondContact N-O 2.68Å; I118-W133 PolarHBondContact O-N 3.12Å; K131-W133 PolarHBondContact O-N 2.74Å |
| 134 | P | 91.4 | Very high | 84.5 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 40% | 0.403 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140.6 | 177.6 | 26.1 | -35.1 | 0 | 0 | 0 | 112.4 | V32 F33 | V32-P134 HydrophobicContact CG1-CB 3.99Å; V32-P134 HydrophobicContact CG1-CG 4.06Å; V32-P134 HydrophobicContact CG2-CG 4.14Å; F33-P134 PolarHBondContact N-O 3.43Å |
| 135 | I | 93.1 | Very high | 84.5 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 134.7 | 171.3 | -176.8 | 163.1 | 0 | 0 | 0 | 110.4 | F33 A35 V46 L65 L91 L116 I118 F137 | F33-I135 HydrophobicContact CB-CB 3.73Å; F33-I135 HydrophobicContact CB-CD1 3.84Å; F33-I135 HydrophobicContact CB-CG1 3.58Å; F33-I135 CarbonylContact O-C 3.54Å; F33-I135 VanDerWaalsContact O-CA 3.29Å; F33-I135 WeakPolarHBondContact O-CA 3.36Å; A35-I135 HydrophobicContact CB-CD1 4.16Å; A35-I135 HydrophobicContact CB-CG1 4.27Å; V46-I135 HydrophobicContact CG1-CD1 4.1Å; L65-I135 HydrophobicContact CD2-CG2 4.09Å; L91-I135 HydrophobicContact CD1-CD1 3.89Å; L116-I135 HydrophobicContact CB-CG2 3.92Å; L116-I135 PolarHBondContact N-O 2.92Å; L116-I135 WeakPolarHBondContact O-CG2 3.28Å; L116-I135 PolarHBondContact O-N 3.12Å; L116-I135 VanDerWaalsContact O-O 3.11Å; I118-I135 HydrophobicContact CB-CG2 4.2Å; I118-I135 HydrophobicContact CD1-CD1 4.44Å; I118-I135 HydrophobicContact CG2-CB 4.4Å; I118-I135 HydrophobicContact CG2-CG2 4.48Å; I135-F137 HydrophobicContact CB-CE2 4.46Å; I135-F137 HydrophobicContact CD1-CE2 4.21Å; I135-F137 HydrophobicContact CD1-CZ 4.02Å; I135-F137 HydrophobicContact CG1-CE2 3.92Å; I135-F137 HydrophobicContact CG1-CZ 4.22Å; I135-F137 HydrophobicContact CG2-CE2 3.82Å; I135-F137 HydrophobicContact CG2-CZ 4.49Å |
| 136 | T | 91.1 | Very high | 84.6 | Confident | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.086 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.7 | 179.5 | 73.2 | 0 | 0 | 0 | 0 | 110.2 | V32 F33 H34 A35 H115 | V32-T136 HydrophobicContact CG1-CG2 3.98Å; F33-T136 PolarHBondContact O-N 3.17Å; H34-T136 PolarHBondContact ND1-OG1 3.33Å; A35-T136 PolarHBondContact N-O 2.8Å; H115-T136 WeakPolarHBondContact ND1-CG2 3.33Å |
| 137 | F | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.8 | 176.9 | -69.8 | -96.6 | 0 | 0 | 0 | 110.3 | A35 V37 L65 I77 L91 F113 Y114 L116 I135 | A35-F137 HydrophobicContact CB-CD1 3.57Å; A35-F137 HydrophobicContact CB-CE1 3.62Å; A35-F137 HydrophobicContact CB-CG 4.13Å; A35-F137 HydrophobicContact CB-CZ 4.21Å; A35-F137 CarbonylContact O-C 3.59Å; A35-F137 VanDerWaalsContact O-CA 3.31Å; A35-F137 WeakPolarHBondContact O-CA 3.27Å; V37-F137 HydrophobicContact CG2-CD1 3.92Å; L65-F137 HydrophobicContact CD1-CZ 4.06Å; L65-F137 HydrophobicContact CD2-CZ 4.2Å; I77-F137 HydrophobicContact CD1-CD1 3.66Å; I77-F137 HydrophobicContact CD1-CE1 3.61Å; I77-F137 HydrophobicContact CD1-CZ 4.42Å; I77-F137 HydrophobicContact CG2-CE1 4.04Å; I77-F137 HydrophobicContact CG2-CZ 4.32Å; L91-F137 HydrophobicContact CD1-CE1 3.67Å; L91-F137 HydrophobicContact CD1-CZ 3.65Å; F113-F137 VanDerWaalsContact CA-O 3.25Å; F113-F137 WeakPolarHBondContact CA-O 3.24Å; F113-F137 WeakPolarHBondContact CD2-O 3.46Å; Y114-F137 HydrophobicContact CD1-CB 4.21Å; Y114-F137 HydrophobicContact CD2-CB 3.81Å; Y114-F137 AromaticContact CD2-CD2 3.89Å; Y114-F137 HydrophobicContact CD2-CD2 3.89Å; Y114-F137 HydrophobicContact CD2-CG 4.05Å; Y114-F137 HydrophobicContact CE1-CB 3.83Å; Y114-F137 HydrophobicContact CE2-CB 3.4Å; Y114-F137 VanDerWaalsContact CE2-CB 3.4Å; Y114-F137 HydrophobicContact CE2-CD1 4.13Å; Y114-F137 AromaticContact CE2-CD2 3.54Å; Y114-F137 HydrophobicContact CE2-CD2 3.54Å; Y114-F137 HydrophobicContact CE2-CE2 4.36Å; Y114-F137 AromaticContact CE2-CG 3.41Å; Y114-F137 HydrophobicContact CE2-CG 3.41Å; Y114-F137 VanDerWaalsContact CE2-CG 3.41Å; Y114-F137 HydrophobicContact CG-CB 4.18Å; Y114-F137 AromaticContact CZ-CG 3.74Å; Y114-F137 PolarHBondContact N-O 3.47Å; Y114-F137 VanDerWaalsContact N-O 3.15Å; Y114-F137 PolarHBondContact O-N 3.12Å; L116-F137 HydrophobicContact CB-CE2 4.1Å; L116-F137 HydrophobicContact CD1-CD2 4.19Å; L116-F137 HydrophobicContact CD1-CE2 3.69Å; L116-F137 HydrophobicContact CD1-CZ 4.34Å; L116-F137 HydrophobicContact CG-CD2 4.35Å; L116-F137 HydrophobicContact CG-CE2 4.09Å; I135-F137 HydrophobicContact CB-CE2 4.46Å; I135-F137 HydrophobicContact CD1-CE2 4.21Å; I135-F137 HydrophobicContact CD1-CZ 4.02Å; I135-F137 HydrophobicContact CG1-CE2 3.92Å; I135-F137 HydrophobicContact CG1-CZ 4.22Å; I135-F137 HydrophobicContact CG2-CE2 3.82Å; I135-F137 HydrophobicContact CG2-CZ 4.49Å |
| 138 | E | 88 | Confident | 85 | Confident | 70 Ų | 70 | 41.3 Ų | 41.3 | 33% | 0.327 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 119.9 | 175.1 | -173.6 | 176.6 | 175.7 | 0 | 0 | 109.4 | A35 Y36 V37 G112 F113 I140 | A35-E138 PolarHBondContact O-N 2.69Å; Y36-E138 WeakPolarHBondContact CA-O 3.49Å; Y36-E138 HydrophobicContact CD1-CB 4.25Å; Y36-E138 HydrophobicContact CE1-CB 4.36Å; Y36-E138 WeakPolarHBondContact CE1-OE2 3.41Å; V37-E138 PolarHBondContact N-O 2.78Å; G112-E138 CarbonylContact O-C 3.59Å; G112-E138 WeakPolarHBondContact O-CA 3.27Å; F113-E138 HydrophobicContact CD2-CB 4.18Å; F113-E138 HydrophobicContact CD2-CG 4.39Å; E138-I140 HydrophobicContact CG-CG2 4.42Å |
| 139 | H | 83.9 | Confident | 84.9 | Confident | 29 Ų | 29 | 42 Ų | 42 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.1 | 175.2 | -76.5 | -121.8 | 0 | 0 | 0 | 109.2 | E39 Y98 G112 Y114 | E39-H139 IonicContact OE1-CG 3.57Å; E39-H139 IonicContact OE1-ND1 3.98Å; E39-H139 PolarHBondContact OE1-ND1 3.07Å; Y98-H139 AromaticContact CD2-CE1 3.75Å; Y98-H139 AromaticContact CE2-CE1 3.25Å; Y98-H139 WeakPolarHBondContact CE2-CE1 3.45Å; Y98-H139 AromaticContact CE2-ND1 3.64Å; Y98-H139 AromaticContact CZ-CE1 3.79Å; Y98-H139 AromaticContact CZ-ND1 3.7Å; G112-H139 WeakPolarHBondContact O-CB 3.43Å; G112-H139 PolarHBondContact O-CD2 3.18Å; G112-H139 PolarHBondContact O-N 2.69Å; Y114-H139 AromaticContact CE1-CD2 3.76Å; Y114-H139 AromaticContact CE1-NE2 3.47Å; Y114-H139 WeakPolarHBondContact CE1-NE2 3.44Å; Y114-H139 AromaticContact CZ-NE2 3.84Å; Y114-H139 PolarHBondContact OH-NE2 3.28Å |
| 140 | I | 75.8 | Confident | 84.7 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 147.1 | -179.6 | 55 | 170.5 | 0 | 0 | 0 | 111.1 | Y36 V37 N38 E138 I146 | Y36-I140 HydrophobicContact CD1-CD1 4.48Å; Y36-I140 HydrophobicContact CD1-CG2 3.69Å; Y36-I140 HydrophobicContact CE1-CG2 4.3Å; V37-I140 WeakPolarHBondContact O-CG1 3.22Å; V37-I140 PolarHBondContact O-N 3.01Å; V37-I140 VanDerWaalsContact O-N 3.07Å; N38-I140 HydrophobicContact CB-CG1 4.49Å; E138-I140 HydrophobicContact CG-CG2 4.42Å; I140-I146 HydrophobicContact CD1-CD1 3.34Å; I140-I146 HydrophobicContact CD1-CG1 3.5Å |
| 141 | Q | 68.4 | Low | 84.7 | Confident | 163 Ų | 163 | 48.8 Ų | 48.8 | 76% | 0.762 | 24% | 0.243 | S | C | * | . | trans | -70 | 138.7 | 163.7 | -67.4 | -175.7 | -14.2 | 0 | 0 | 108.8 | D143 | Q141-D143 VanDerWaalsContact C-N 3.26Å; Q141-D143 PolarHBondContact O-N 2.88Å | ||
| 142 | S | 63.7 | Low | 85 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -8.8 | -149.5 | 57 | 0 | 0 | 0 | 0 | 118.5 | N38 K40 S174 | N38-S142 PolarHBondContact ND2-O 3.09Å; N38-S142 VanDerWaalsContact ND2-O 3.14Å; N38-S142 WeakPolarHBondContact OD1-CA 3.37Å; N38-S142 WeakPolarHBondContact OD1-CB 3.41Å; K40-S142 WeakPolarHBondContact CB-OG 3.45Å; K40-S142 VanDerWaalsContact CD-CB 3.48Å; K40-S142 WeakPolarHBondContact CD-OG 3.25Å; S142-S174 WeakPolarHBondContact O-CB 3.25Å; S142-S174 PolarHBondContact O-OG 3.29Å; S142-S174 VanDerWaalsContact O-OG 3.13Å |
| 143 | D | 70.5 | Confident | 85.2 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 2.7 | -166.2 | -53.7 | -17.2 | 0 | 0 | 0 | 112 | K40 Q141 Y241 | K40-D143 VanDerWaalsContact NZ-CG 3.35Å; K40-D143 IonicContact NZ-OD1 2.98Å; K40-D143 PolarHBondContact NZ-OD1 3.42Å; K40-D143 IonicContact NZ-OD2 3.42Å; K40-D143 PolarHBondContact NZ-OD2 3.13Å; Q141-D143 VanDerWaalsContact C-N 3.26Å; Q141-D143 PolarHBondContact O-N 2.88Å; D143-Y241 HydrophobicContact CB-CD1 4.47Å; D143-Y241 HydrophobicContact CB-CD2 4.23Å; D143-Y241 HydrophobicContact CB-CE1 4.11Å; D143-Y241 HydrophobicContact CB-CE2 3.84Å; D143-Y241 VanDerWaalsContact O-CB 3.27Å; D143-Y241 WeakPolarHBondContact O-CB 3.28Å; D143-Y241 WeakPolarHBondContact O-CD2 3.13Å |
| 144 | L | 81.9 | Confident | 85.4 | Confident | 69 Ų | 69 | 44.9 Ų | 44.9 | 36% | 0.361 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -88.3 | 147.6 | 179.9 | -61.9 | 175.9 | 0 | 0 | 0 | 112.8 | ||
| 145 | P | 86.1 | Confident | 85.4 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -59.5 | 144.4 | 170 | -21.6 | 31.3 | 0 | 0 | 0 | 113 | Y172 M192 D234 Y241 S243 | P145-Y172 CarbonylContact C-O 3.51Å; P145-Y172 WeakPolarHBondContact CA-O 3.07Å; P145-M192 HydrophobicContact CB-CE 4.19Å; P145-M192 HydrophobicContact CB-SD 3.88Å; P145-M192 HydrophobicContact CG-CE 4.41Å; P145-M192 HydrophobicContact CG-SD 4.33Å; P145-D234 HydrophobicContact CG-CB 4.19Å; P145-Y241 WeakPolarHBondContact CG-O 3.21Å; P145-S243 WeakPolarHBondContact O-CB 3.38Å; P145-S243 PolarHBondContact O-OG 3.43Å | ||
| 146 | I | 86.9 | Confident | 85.2 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.7 | -173.3 | -59 | 171.3 | 0 | 0 | 0 | 109.8 | Y36 Q45 F47 I140 A171 Y172 | Y36-I146 HydrophobicContact CD1-CG2 3.84Å; Y36-I146 HydrophobicContact CD2-CG2 3.11Å; Y36-I146 HydrophobicContact CE1-CG2 4.07Å; Y36-I146 HydrophobicContact CE2-CG2 3.38Å; Y36-I146 HydrophobicContact CG-CG2 3.34Å; Q45-I146 VanDerWaalsContact OE1-CD1 3.23Å; F47-I146 HydrophobicContact CE2-CG2 3.81Å; I140-I146 HydrophobicContact CD1-CD1 3.34Å; I140-I146 HydrophobicContact CD1-CG1 3.5Å; I146-A171 CarbonylContact O-C 3.59Å; I146-A171 VanDerWaalsContact O-CA 3.27Å; I146-A171 WeakPolarHBondContact O-CA 3.24Å; I146-Y172 PolarHBondContact N-O 2.86Å; I146-Y172 PolarHBondContact O-N 3.32Å |
| 147 | W | 89.5 | Confident | 84.9 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 3% | 0.034 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 142.6 | -179 | -66.9 | 97.2 | 0 | 0 | 0 | 112.3 | Y36 K149 Y152 V169 A171 Y195 V230 S243 V245 | Y36-W147 WeakPolarHBondContact CE2-O 3.29Å; Y36-W147 PolarHBondContact OH-O 2.76Å; W147-K149 VanDerWaalsContact CB-O 3.31Å; W147-K149 WeakPolarHBondContact CB-O 3.46Å; W147-K149 PolarHBondContact O-N 2.96Å; W147-Y152 HydrophobicContact CE3-CE2 4.2Å; W147-V169 HydrophobicContact CH2-CG2 4.42Å; W147-V169 HydrophobicContact CZ3-CB 4.01Å; W147-V169 HydrophobicContact CZ3-CG2 3.83Å; W147-A171 HydrophobicContact CD2-CB 3.9Å; W147-A171 HydrophobicContact CE3-CB 3.68Å; W147-A171 HydrophobicContact CH2-CB 4.13Å; W147-A171 HydrophobicContact CZ2-CB 4.34Å; W147-A171 HydrophobicContact CZ3-CB 3.79Å; W147-Y195 AromaticContact CH2-CD1 3.9Å; W147-Y195 HydrophobicContact CH2-CD1 3.9Å; W147-Y195 AromaticContact CH2-CE1 3.89Å; W147-Y195 HydrophobicContact CH2-CE1 3.89Å; W147-Y195 HydrophobicContact CZ3-CD1 4.21Å; W147-Y195 AromaticContact CZ3-CE1 3.83Å; W147-Y195 HydrophobicContact CZ3-CE1 3.83Å; W147-V230 HydrophobicContact CH2-CG1 3.94Å; W147-V230 WeakPolarHBondContact CZ2-O 3.43Å; W147-S243 WeakPolarHBondContact CZ2-O 3.39Å; W147-S243 PolarHBondContact NE1-OG 3.44Å; W147-S243 VanDerWaalsContact NE1-OG 3.14Å; W147-V245 HydrophobicContact CD2-CB 3.67Å; W147-V245 HydrophobicContact CD2-CG1 3.64Å; W147-V245 HydrophobicContact CD2-CG2 4.41Å; W147-V245 HydrophobicContact CE3-CB 4.14Å; W147-V245 HydrophobicContact CE3-CG1 3.6Å; W147-V245 HydrophobicContact CG-CB 3.89Å; W147-V245 HydrophobicContact CG-CG1 4.36Å; W147-V245 HydrophobicContact CG-CG2 4.3Å; W147-V245 HydrophobicContact CH2-CG1 3.74Å; W147-V245 HydrophobicContact CZ2-CB 4.17Å; W147-V245 HydrophobicContact CZ2-CG1 3.75Å; W147-V245 HydrophobicContact CZ3-CG1 3.66Å |
| 148 | S | 87 | Confident | 84.2 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -65.8 | -21.9 | 176.4 | 81 | 0 | 0 | 0 | 0 | 113.7 | F47 Y152 T170 | F47-S148 WeakPolarHBondContact CB-O 3.11Å; S148-Y152 PolarHBondContact OG-OH 2.81Å; S148-T170 PolarHBondContact N-O 2.83Å |
| 149 | K | 87 | Confident | 83.4 | Confident | 78 Ų | 78 | 52.8 Ų | 52.8 | 34% | 0.339 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -139.8 | 145.4 | 176.6 | -58.8 | -173.8 | 176.9 | -168.1 | 0 | 108.8 | E31 W147 K151 Y152 | E31-K149 IonicContact OE1-NZ 2.98Å; E31-K149 PolarHBondContact OE1-NZ 3.49Å; W147-K149 VanDerWaalsContact CB-O 3.31Å; W147-K149 WeakPolarHBondContact CB-O 3.46Å; W147-K149 PolarHBondContact O-N 2.96Å; K149-K151 VanDerWaalsContact C-N 3.27Å; K149-K151 WeakPolarHBondContact CB-O 3.18Å; K149-K151 PolarHBondContact O-N 2.85Å; K149-Y152 HydrophobicContact CB-CD1 4.47Å; K149-Y152 HydrophobicContact CB-CD2 4.32Å; K149-Y152 HydrophobicContact CB-CE1 4.1Å; K149-Y152 HydrophobicContact CB-CE2 3.93Å; K149-Y152 HydrophobicContact CD-CD1 4.14Å; K149-Y152 HydrophobicContact CD-CE1 3.97Å; K149-Y152 HydrophobicContact CG-CE1 4.1Å |
| 150 | T | 84.7 | Confident | 83 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -72.7 | -21.4 | 177.2 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | V245 | T150-V245 WeakPolarHBondContact O-CG2 3.48Š|
| 151 | K | 91.1 | Very high | 82.7 | Confident | 136 Ų | 136 | 59 Ų | 59 | 59% | 0.591 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -153.1 | 150.2 | 171.6 | 63.6 | 178.4 | -178 | 176.6 | 0 | 109.9 | K149 P246 | K149-K151 VanDerWaalsContact C-N 3.27Å; K149-K151 WeakPolarHBondContact CB-O 3.18Å; K149-K151 PolarHBondContact O-N 2.85Å; K151-P246 WeakPolarHBondContact CA-O 3.04Å; K151-P246 HydrophobicContact CB-CG 3.96Å |
| 152 | Y | 93.7 | Very high | 82.9 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 4% | 0.043 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.3 | 174.7 | -67.2 | -101.8 | 0 | 0 | 0 | 110.4 | W147 S148 K149 F154 V169 T170 V245 P246 V247 T248 | W147-Y152 HydrophobicContact CE3-CE2 4.2Å; S148-Y152 PolarHBondContact OG-OH 2.81Å; K149-Y152 HydrophobicContact CB-CD1 4.47Å; K149-Y152 HydrophobicContact CB-CD2 4.32Å; K149-Y152 HydrophobicContact CB-CE1 4.1Å; K149-Y152 HydrophobicContact CB-CE2 3.93Å; K149-Y152 HydrophobicContact CD-CD1 4.14Å; K149-Y152 HydrophobicContact CD-CE1 3.97Å; K149-Y152 HydrophobicContact CG-CE1 4.1Å; Y152-F154 HydrophobicContact CD1-CZ 4.06Å; Y152-F154 HydrophobicContact CG-CZ 4.41Å; Y152-V169 HydrophobicContact CD1-CB 4.32Å; Y152-V169 HydrophobicContact CD1-CG1 3.76Å; Y152-V169 HydrophobicContact CD2-CB 4.23Å; Y152-V169 HydrophobicContact CD2-CG1 3.73Å; Y152-V169 HydrophobicContact CE1-CB 4.07Å; Y152-V169 HydrophobicContact CE1-CG1 4.04Å; Y152-V169 HydrophobicContact CE2-CB 3.99Å; Y152-V169 HydrophobicContact CE2-CG1 4.01Å; Y152-V169 HydrophobicContact CG-CB 4.39Å; Y152-V169 HydrophobicContact CG-CG1 3.59Å; Y152-T170 PolarHBondContact OH-N 2.88Å; Y152-T170 PolarHBondContact OH-O 2.76Å; Y152-V245 HydrophobicContact CD2-CG1 4.03Å; Y152-V245 HydrophobicContact CD2-CG2 3.8Å; Y152-V245 HydrophobicContact CE2-CG1 4.03Å; Y152-V245 HydrophobicContact CE2-CG2 3.89Å; Y152-P246 PolarHBondContact N-O 3.23Å; Y152-V247 CarbonylContact O-C 3.54Å; Y152-V247 WeakPolarHBondContact O-CA 3.25Å; Y152-T248 PolarHBondContact O-N 3.22Å |
| 153 | T | 93.1 | Very high | 83.2 | Confident | 93 Ų | 93 | 52 Ų | 52 | 57% | 0.571 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127 | 175.4 | -52.1 | 0 | 0 | 0 | 0 | 109 | T248 | T153-T248 CarbonylContact C-O 3.44Å; T153-T248 VanDerWaalsContact CA-O 3.25Å; T153-T248 WeakPolarHBondContact CA-O 3.34Å; T153-T248 HydrophobicContact CG2-CG2 4.47Å |
| 154 | F | 94.2 | Very high | 83.7 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.4 | 178.7 | -56.2 | -68.9 | 0 | 0 | 0 | 109.6 | Y152 V166 V169 I212 V247 T248 V249 Y250 | Y152-F154 HydrophobicContact CD1-CZ 4.06Å; Y152-F154 HydrophobicContact CG-CZ 4.41Å; F154-V166 HydrophobicContact CB-CG1 3.77Å; F154-V166 HydrophobicContact CD2-CG1 4.28Å; F154-V166 HydrophobicContact CG-CG1 4.11Å; F154-V169 HydrophobicContact CE2-CG1 4.35Å; F154-V169 HydrophobicContact CZ-CG1 4.24Å; F154-I212 HydrophobicContact CE2-CD1 4.03Å; F154-V247 HydrophobicContact CD2-CG1 3.8Å; F154-V247 HydrophobicContact CE2-CG1 3.66Å; F154-T248 PolarHBondContact N-O 2.97Å; F154-V249 HydrophobicContact CB-CG2 4.43Å; F154-V249 HydrophobicContact CD2-CG2 4.29Å; F154-V249 CarbonylContact O-C 3.56Å; F154-V249 WeakPolarHBondContact O-CA 3.16Å; F154-Y250 PolarHBondContact O-N 3.41Å |
| 155 | E | 91.2 | Very high | 84 | Confident | 141 Ų | 141 | 57.4 Ų | 57.4 | 66% | 0.659 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.1 | 174.7 | 179.3 | 172 | 179.5 | 0 | 0 | 108.4 | Y250 | E155-Y250 WeakPolarHBondContact CA-O 3.48Å; E155-Y250 HydrophobicContact CG-CD1 4.09Å |
| 156 | I | 90.1 | Very high | 84.1 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 157.1 | 176.6 | 61 | -179.4 | 0 | 0 | 0 | 109.3 | H160 V166 F218 V249 Y250 V251 K252 | I156-H160 HydrophobicContact CB-CB 4.13Å; I156-H160 HydrophobicContact CD1-CB 4.13Å; I156-H160 HydrophobicContact CG1-CB 4.42Å; I156-V166 HydrophobicContact CD1-CG1 4.39Å; I156-V166 HydrophobicContact CD1-CG2 4.12Å; I156-V166 HydrophobicContact CG2-CG1 4.18Å; I156-F218 HydrophobicContact CD1-CD2 4.17Å; I156-F218 HydrophobicContact CD1-CE2 3.35Å; I156-F218 HydrophobicContact CD1-CZ 3.68Å; I156-F218 HydrophobicContact CG1-CE2 4.42Å; I156-V249 HydrophobicContact CD1-CG1 3.8Å; I156-V249 HydrophobicContact CG1-CG1 4.02Å; I156-Y250 PolarHBondContact N-O 2.87Å; I156-V251 HydrophobicContact CD1-CG2 4.03Å; I156-V251 HydrophobicContact CG1-CB 4.45Å; I156-V251 HydrophobicContact CG1-CG1 4.46Å; I156-V251 HydrophobicContact CG1-CG2 3.86Å; I156-V251 CarbonylContact O-C 3.55Å; I156-V251 VanDerWaalsContact O-CA 3.28Å; I156-V251 WeakPolarHBondContact O-CA 3.48Å; I156-K252 PolarHBondContact O-N 3.03Å |
| 157 | D | 83.9 | Confident | 84.3 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 39% | 0.39 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 163.1 | 170.9 | 63.9 | 62.9 | 0 | 0 | 0 | 111.5 | L159 H160 K252 | D157-L159 PolarHBondContact O-N 3.28Å; D157-L159 WeakPolarHBondContact OD1-CA 3.34Å; D157-L159 WeakPolarHBondContact OD1-CB 3.12Å; D157-L159 PolarHBondContact OD1-N 3.03Å; D157-H160 WeakPolarHBondContact O-CB 3.29Å; D157-H160 PolarHBondContact O-N 2.84Å; D157-H160 VanDerWaalsContact O-N 3.11Å; D157-H160 PolarHBondContact OD1-N 2.92Å; D157-K252 CarbonylContact C-O 3.58Å |
| 158 | S | 77.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -17.2 | 177.7 | 67.5 | 0 | 0 | 0 | 0 | 114.3 | H160 N219 N220 K252 T254 | S158-H160 VanDerWaalsContact C-N 3.26Å; S158-N219 VanDerWaalsContact CB-O 3.28Å; S158-N219 WeakPolarHBondContact CB-O 3.29Å; S158-N220 VanDerWaalsContact CB-OD1 3.23Å; S158-N220 WeakPolarHBondContact CB-OD1 3.3Å; S158-N220 PolarHBondContact O-OD1 2.95Å; S158-N220 WeakPolarHBondContact OG-CA 3.45Å; S158-N220 PolarHBondContact OG-OD1 3.07Å; S158-K252 WeakPolarHBondContact CB-O 3.43Å; S158-K252 PolarHBondContact N-O 3.18Å; S158-T254 WeakPolarHBondContact OG-CB 2.95Å; S158-T254 PolarHBondContact OG-N 2.91Å |
| 159 | L | 70.8 | Confident | 84.8 | Confident | 83 Ų | 83 | 61.5 Ų | 61.5 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -4.2 | 174.5 | -63.6 | 176.2 | 0 | 0 | 0 | 112.6 | D157 R161 T254 V256 | D157-L159 PolarHBondContact O-N 3.28Å; D157-L159 WeakPolarHBondContact OD1-CA 3.34Å; D157-L159 WeakPolarHBondContact OD1-CB 3.12Å; D157-L159 PolarHBondContact OD1-N 3.03Å; L159-R161 PolarHBondContact O-N 3.01Å; L159-T254 HydrophobicContact CD1-CG2 3.82Å; L159-T254 HydrophobicContact CG-CG2 4.24Å; L159-V256 HydrophobicContact CD2-CG2 3.54Å; L159-V256 HydrophobicContact CG-CG2 4.38Å |
| 160 | H | 75.6 | Confident | 85 | Confident | 31 Ų | 31 | 59 Ų | 59 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 125.3 | 177.5 | -169.2 | 87 | 0 | 0 | 0 | 110.6 | I156 D157 S158 E165 F218 | I156-H160 HydrophobicContact CB-CB 4.13Å; I156-H160 HydrophobicContact CD1-CB 4.13Å; I156-H160 HydrophobicContact CG1-CB 4.42Å; D157-H160 WeakPolarHBondContact O-CB 3.29Å; D157-H160 PolarHBondContact O-N 2.84Å; D157-H160 VanDerWaalsContact O-N 3.11Å; D157-H160 PolarHBondContact OD1-N 2.92Å; S158-H160 VanDerWaalsContact C-N 3.26Å; H160-E165 PolarHBondContact CE1-O 2.65Å; H160-F218 HydrophobicContact CB-CD2 4.34Å; H160-F218 HydrophobicContact CB-CE2 4.26Å |
| 161 | R | 69.6 | Low | 85.3 | Confident | 153 Ų | 153 | 56.4 Ų | 56.4 | 58% | 0.577 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 139 | -169.4 | -68.8 | 178.2 | -177 | -177.7 | -2.4 | 111.2 | L159 G163 Y164 | L159-R161 PolarHBondContact O-N 3.01Å; R161-G163 PolarHBondContact O-N 2.96Å; R161-Y164 HydrophobicContact CB-CD2 3.35Å; R161-Y164 HydrophobicContact CB-CE2 3.63Å; R161-Y164 HydrophobicContact CB-CG 3.91Å; R161-Y164 HydrophobicContact CG-CD2 4.42Å; R161-Y164 HydrophobicContact CG-CE2 4.32Å; R161-Y164 PolarHBondContact NH1-OH 2.7Å; R161-Y164 WeakPolarHBondContact O-CB 3.24Å; R161-Y164 PolarHBondContact O-N 2.77Å; R161-Y164 VanDerWaalsContact O-N 3.17Å |
| 162 | P | 72.2 | Confident | 85.1 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 138.1 | 170.4 | -24.1 | 34.9 | 0 | 0 | 0 | 111.2 | Y164 R217 D915 | P162-Y164 VanDerWaalsContact C-N 3.29Å; P162-Y164 PolarHBondContact O-N 2.78Å; P162-R217 HydrophobicContact CG-CB 4.05Å; P162-D915 HydrophobicContact CB-CB 4.19Å; P162-D915 HydrophobicContact CG-CB 4.45Å |
| 163 | G | 71.7 | Confident | 84.5 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -7.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R161 R213 S214 K917 | R161-G163 PolarHBondContact O-N 2.96Å; G163-R213 VanDerWaalsContact O-CD 3.31Å; G163-R213 WeakPolarHBondContact O-CD 3.28Å; G163-S214 WeakPolarHBondContact CA-O 3.3Å; G163-S214 PolarHBondContact N-O 2.86Å; G163-K917 VanDerWaalsContact CA-NZ 3.32Å |
| 164 | Y | 79.8 | Confident | 83.6 | Confident | 127 Ų | 127 | 48.5 Ų | 48.5 | 50% | 0.498 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -82.2 | 157.7 | 174.7 | -76.3 | -119.4 | 0 | 0 | 0 | 110.6 | R161 P162 R213 S214 | R161-Y164 HydrophobicContact CB-CD2 3.35Å; R161-Y164 HydrophobicContact CB-CE2 3.63Å; R161-Y164 HydrophobicContact CB-CG 3.91Å; R161-Y164 HydrophobicContact CG-CD2 4.42Å; R161-Y164 HydrophobicContact CG-CE2 4.32Å; R161-Y164 PolarHBondContact NH1-OH 2.7Å; R161-Y164 WeakPolarHBondContact O-CB 3.24Å; R161-Y164 PolarHBondContact O-N 2.77Å; R161-Y164 VanDerWaalsContact O-N 3.17Å; P162-Y164 VanDerWaalsContact C-N 3.29Å; P162-Y164 PolarHBondContact O-N 2.78Å; Y164-R213 WeakPolarHBondContact O-CA 3.27Å; Y164-R213 VanDerWaalsContact O-CB 3.31Å; Y164-R213 WeakPolarHBondContact O-CB 3.32Å; Y164-R213 WeakPolarHBondContact O-CG 3.48Å; Y164-S214 PolarHBondContact O-N 2.9Å |
| 165 | E | 87.4 | Confident | 82.1 | Confident | 102 Ų | 102 | 50 Ų | 50 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.6 | -179.6 | 176.8 | 170.8 | 164.7 | 0 | 0 | 111 | H160 V211 | H160-E165 PolarHBondContact CE1-O 2.65Å; E165-V211 HydrophobicContact CB-CG1 4.21Å; E165-V211 VanDerWaalsContact CD-CG1 3.42Å; E165-V211 HydrophobicContact CG-CG1 3.57Å; E165-V211 WeakPolarHBondContact OE2-CG1 3.31Å |
| 166 | V | 89.2 | Confident | 80.7 | Confident | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -39.6 | 171.3 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | F154 I156 F204 I212 V249 | F154-V166 HydrophobicContact CB-CG1 3.77Å; F154-V166 HydrophobicContact CD2-CG1 4.28Å; F154-V166 HydrophobicContact CG-CG1 4.11Å; I156-V166 HydrophobicContact CD1-CG1 4.39Å; I156-V166 HydrophobicContact CD1-CG2 4.12Å; I156-V166 HydrophobicContact CG2-CG1 4.18Å; V166-F204 HydrophobicContact CG2-CD1 4.14Å; V166-F204 HydrophobicContact CG2-CE1 4.01Å; V166-I212 HydrophobicContact CB-CG2 4.28Å; V166-I212 PolarHBondContact N-O 3.29Å; V166-V249 HydrophobicContact CG1-CG1 3.88Å; V166-V249 HydrophobicContact CG1-CG2 4Å |
| 167 | G | 91.7 | Very high | 79 | Confident | 9 Ų | 9 | 47 Ų | 47 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | -178.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I212 | G167-I212 PolarHBondContact N-O 2.96Å; G167-I212 PolarHBondContact O-N 3.16Å |
| 168 | K | 93.1 | Very high | 77.4 | Confident | 101 Ų | 101 | 49.9 Ų | 49.9 | 44% | 0.439 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.3 | -178.2 | -177.6 | 177.9 | 175.7 | 175.9 | 0 | 111 | H209 G210 V211 | K168-H209 VanDerWaalsContact CE-O 3.22Å; K168-H209 WeakPolarHBondContact CE-O 3.42Å; K168-G210 WeakPolarHBondContact CA-O 3.42Å; K168-V211 HydrophobicContact CB-CG2 4.35Å; K168-V211 HydrophobicContact CD-CG2 4.1Å; K168-V211 HydrophobicContact CG-CG2 4.08Å |
| 169 | V | 93.7 | Very high | 76.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -104.3 | 146.9 | 166.1 | -56.8 | 0 | 0 | 0 | 0 | 109.6 | W147 Y152 F154 Y195 I206 G210 I212 V230 V247 | W147-V169 HydrophobicContact CH2-CG2 4.42Å; W147-V169 HydrophobicContact CZ3-CB 4.01Å; W147-V169 HydrophobicContact CZ3-CG2 3.83Å; Y152-V169 HydrophobicContact CD1-CB 4.32Å; Y152-V169 HydrophobicContact CD1-CG1 3.76Å; Y152-V169 HydrophobicContact CD2-CB 4.23Å; Y152-V169 HydrophobicContact CD2-CG1 3.73Å; Y152-V169 HydrophobicContact CE1-CB 4.07Å; Y152-V169 HydrophobicContact CE1-CG1 4.04Å; Y152-V169 HydrophobicContact CE2-CB 3.99Å; Y152-V169 HydrophobicContact CE2-CG1 4.01Å; Y152-V169 HydrophobicContact CG-CB 4.39Å; Y152-V169 HydrophobicContact CG-CG1 3.59Å; F154-V169 HydrophobicContact CE2-CG1 4.35Å; F154-V169 HydrophobicContact CZ-CG1 4.24Å; V169-Y195 HydrophobicContact CG2-CD1 4.35Å; V169-Y195 HydrophobicContact CG2-CE1 4.49Å; V169-I206 HydrophobicContact CG2-CD1 3.8Å; V169-G210 WeakPolarHBondContact CG2-O 3.06Å; V169-G210 PolarHBondContact N-O 3.03Å; V169-I212 HydrophobicContact CG1-CD1 3.9Å; V169-V230 HydrophobicContact CG2-CG1 4.01Å; V169-V247 HydrophobicContact CG1-CG2 4.09Å | ||
| 170 | T | 91.5 | Very high | 75.1 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 15% | 0.153 | 29% | 0.286 | C | S | . | . | trans | -132.6 | 124.1 | -177.4 | -50.6 | 0 | 0 | 0 | 0 | 109.8 | S148 Y152 Y172 T190 | S148-T170 PolarHBondContact N-O 2.83Å; Y152-T170 PolarHBondContact OH-N 2.88Å; Y152-T170 PolarHBondContact OH-O 2.76Å; T170-Y172 HydrophobicContact CG2-CD2 4.49Å; T170-Y172 HydrophobicContact CG2-CE2 3.8Å; T170-T190 HydrophobicContact CG2-CG2 3.86Å | ||
| 171 | A | 90.2 | Very high | 73.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 158.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | I146 W147 T190 M192 Y195 | I146-A171 CarbonylContact O-C 3.59Å; I146-A171 VanDerWaalsContact O-CA 3.27Å; I146-A171 WeakPolarHBondContact O-CA 3.24Å; W147-A171 HydrophobicContact CD2-CB 3.9Å; W147-A171 HydrophobicContact CE3-CB 3.68Å; W147-A171 HydrophobicContact CH2-CB 4.13Å; W147-A171 HydrophobicContact CZ2-CB 4.34Å; W147-A171 HydrophobicContact CZ3-CB 3.79Å; A171-T190 WeakPolarHBondContact O-CB 3.49Å; A171-T190 PolarHBondContact O-OG1 2.9Å; A171-M192 HydrophobicContact CB-CG 3.98Å; A171-M192 HydrophobicContact CB-SD 3.67Å; A171-M192 VanDerWaalsContact O-CG 3.29Å; A171-M192 WeakPolarHBondContact O-CG 3.09Å; A171-Y195 HydrophobicContact CB-CE1 4.03Å; A171-Y195 PolarHBondContact N-OH 3.48Å |
| 172 | Y | 86.3 | Confident | 72.6 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.2 | 178 | -64 | -91.9 | 0 | 0 | 0 | 109.2 | F47 P145 I146 T170 I176 T190 | F47-Y172 AromaticContact CD1-CE2 3.98Å; F47-Y172 HydrophobicContact CD1-CE2 3.98Å; F47-Y172 AromaticContact CE1-CD2 3.51Å; F47-Y172 HydrophobicContact CE1-CD2 3.51Å; F47-Y172 HydrophobicContact CE1-CE1 4.43Å; F47-Y172 AromaticContact CE1-CE2 3.18Å; F47-Y172 HydrophobicContact CE1-CE2 3.18Å; F47-Y172 HydrophobicContact CE1-CG 4.27Å; F47-Y172 AromaticContact CE1-CZ 3.71Å; F47-Y172 HydrophobicContact CE2-CD2 4.35Å; F47-Y172 AromaticContact CZ-CD2 3.39Å; F47-Y172 HydrophobicContact CZ-CD2 3.39Å; F47-Y172 AromaticContact CZ-CE2 3.63Å; F47-Y172 HydrophobicContact CZ-CE2 3.63Å; F47-Y172 AromaticContact CZ-CG 3.98Å; F47-Y172 HydrophobicContact CZ-CG 3.98Å; P145-Y172 CarbonylContact C-O 3.51Å; P145-Y172 WeakPolarHBondContact CA-O 3.07Å; I146-Y172 PolarHBondContact N-O 2.86Å; I146-Y172 PolarHBondContact O-N 3.32Å; T170-Y172 HydrophobicContact CG2-CD2 4.49Å; T170-Y172 HydrophobicContact CG2-CE2 3.8Å; Y172-I176 HydrophobicContact CD1-CD1 4.36Å; Y172-T190 WeakPolarHBondContact CA-O 3.26Å; Y172-T190 HydrophobicContact CD1-CG2 3.83Å; Y172-T190 HydrophobicContact CE1-CG2 3.56Å |
| 173 | T | 82.6 | Confident | 71.5 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | trans | -69.8 | 143.9 | 171.4 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | A175 I176 T190 M192 | T173-A175 HydrophobicContact CG2-CB 4.24Å; T173-A175 PolarHBondContact O-N 3.47Å; T173-A175 VanDerWaalsContact O-N 3.14Å; T173-I176 HydrophobicContact CG2-CD1 3.64Å; T173-I176 HydrophobicContact CG2-CG1 3.52Å; T173-I176 PolarHBondContact O-N 3.11Å; T173-T190 PolarHBondContact N-O 2.99Å; T173-M192 VanDerWaalsContact CA-CE 3.42Å; T173-M192 VanDerWaalsContact CB-CE 3.45Å; T173-M192 HydrophobicContact CG2-CE 4.47Å | ||
| 174 | S | 73 | Confident | 70.6 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.3 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 113 | S142 I176 | S142-S174 WeakPolarHBondContact O-CB 3.25Å; S142-S174 PolarHBondContact O-OG 3.29Å; S142-S174 VanDerWaalsContact O-OG 3.13Å; S174-I176 VanDerWaalsContact C-N 3.31Å; S174-I176 PolarHBondContact O-N 2.81Å |
| 175 | A | 63.7 | Low | 69.5 | Low | 64 Ų | 64 | 72.4 Ų | 72.4 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -8.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T173 N177 | T173-A175 HydrophobicContact CG2-CB 4.24Å; T173-A175 PolarHBondContact O-N 3.47Å; T173-A175 VanDerWaalsContact O-N 3.14Å; A175-N177 PolarHBondContact O-N 2.94Å; A175-N177 VanDerWaalsContact O-N 3.15Å |
| 176 | I | 60.5 | Low | 68.3 | Low | 16 Ų | 16 | 76.6 Ų | 76.6 | 8% | 0.082 | 39% | 0.391 | C | S | . | . | trans | -76.6 | 106.8 | 178.6 | -67 | 163 | 0 | 0 | 0 | 110.1 | Q45 Y172 T173 S174 M178 L185 T190 | Q45-I176 PolarHBondContact NE2-O 3.33Å; Q45-I176 VanDerWaalsContact NE2-O 3.12Å; Y172-I176 HydrophobicContact CD1-CD1 4.36Å; T173-I176 HydrophobicContact CG2-CD1 3.64Å; T173-I176 HydrophobicContact CG2-CG1 3.52Å; T173-I176 PolarHBondContact O-N 3.11Å; S174-I176 VanDerWaalsContact C-N 3.31Å; S174-I176 PolarHBondContact O-N 2.81Å; I176-M178 HydrophobicContact CG2-CB 4.5Å; I176-M178 HydrophobicContact CG2-CG 3.79Å; I176-M178 HydrophobicContact CG2-SD 3.58Å; I176-M178 VanDerWaalsContact CG2-SD 3.58Å; I176-M178 PolarHBondContact O-N 3.43Å; I176-L185 HydrophobicContact CD1-CD2 3.54Å; I176-L185 HydrophobicContact CG1-CD2 3.66Å; I176-L185 HydrophobicContact CG1-CG 4.42Å; I176-T190 WeakPolarHBondContact CD1-O 3.42Å | ||
| 177 | N | 54.5 | Low | 67.3 | Low | 77 Ų | 77 | 78.4 Ų | 78.4 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | trans | -79.8 | 101.6 | 150.7 | -84.2 | -14.6 | 0 | 0 | 0 | 108 | A175 T179 E180 | A175-N177 PolarHBondContact O-N 2.94Å; A175-N177 VanDerWaalsContact O-N 3.15Å; N177-T179 PolarHBondContact O-N 3.34Å; N177-E180 PolarHBondContact O-N 2.92Å; N177-E180 VanDerWaalsContact O-N 3.14Å | ||
| 178 | M | 51.2 | Low | 66.6 | Low | 135 Ų | 135 | 79.2 Ų | 79.2 | 67% | 0.665 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -8.6 | 175.9 | -69.7 | -70.7 | -79.4 | 0 | 0 | 113.5 | I176 | I176-M178 HydrophobicContact CG2-CB 4.5Å; I176-M178 HydrophobicContact CG2-CG 3.79Å; I176-M178 HydrophobicContact CG2-SD 3.58Å; I176-M178 VanDerWaalsContact CG2-SD 3.58Å; I176-M178 PolarHBondContact O-N 3.43Å |
| 179 | T | 51.3 | Low | 65.8 | Low | 109 Ų | 109 | 82.1 Ų | 82.1 | 67% | 0.669 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18 | 179.2 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | N177 | N177-T179 PolarHBondContact O-N 3.34Š|
| 180 | E | 48.9 | Very low | 65.3 | Low | 113 Ų | 113 | 82.8 Ų | 82.8 | 53% | 0.528 | 44% | 0.44 | S | S | . | . | trans | -115.1 | 102.1 | -174.4 | -68.5 | -176.1 | 173.4 | 0 | 0 | 111.6 | N177 N182 | N177-E180 PolarHBondContact O-N 2.92Å; N177-E180 VanDerWaalsContact O-N 3.14Å; E180-N182 PolarHBondContact O-N 2.88Å | ||
| 181 | N | 47.6 | Very low | 64.8 | Low | 167 Ų | 167 | 81.8 Ų | 81.8 | 89% | 0.893 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 2.7 | 179.2 | -95.4 | 1.4 | 0 | 0 | 0 | 115.6 | ||
| 182 | N | 44.3 | Very low | 64.6 | Low | 148 Ų | 148 | 81.8 Ų | 81.8 | 79% | 0.791 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | 9.5 | -165.2 | -92.3 | 4.5 | 0 | 0 | 0 | 115.9 | E180 | E180-N182 PolarHBondContact O-N 2.88Š|
| 183 | N | 49.6 | Very low | 64.4 | Low | 91 Ų | 91 | 82.8 Ų | 82.8 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | trans | -82.5 | 126.3 | 170.1 | -71.3 | -22.2 | 0 | 0 | 0 | 109.1 | L185 | N183-L185 VanDerWaalsContact C-N 3.26Å; N183-L185 HydrophobicContact CB-CD1 4.39Å; N183-L185 VanDerWaalsContact O-CD1 3.29Å; N183-L185 WeakPolarHBondContact O-CD1 2.8Å; N183-L185 PolarHBondContact O-N 3.41Å | ||
| 184 | F | 53 | Low | 64.7 | Low | 199 Ų | 199 | 84 Ų | 84 | 87% | 0.873 | 46% | 0.458 | S | S | * | . | trans | -63 | 93.7 | 163.2 | -69.6 | -87.5 | 0 | 0 | 0 | 107 | Y186 | F184-Y186 PolarHBondContact O-N 3.35Š| ||
| 185 | L | 56.2 | Low | 65.4 | Low | 74 Ų | 74 | 83.8 Ų | 83.8 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | trans | -66.8 | 126.6 | 170.1 | -80.1 | 81.5 | 0 | 0 | 0 | 107.7 | I176 N183 | I176-L185 HydrophobicContact CD1-CD2 3.54Å; I176-L185 HydrophobicContact CG1-CD2 3.66Å; I176-L185 HydrophobicContact CG1-CG 4.42Å; N183-L185 VanDerWaalsContact C-N 3.26Å; N183-L185 HydrophobicContact CB-CD1 4.39Å; N183-L185 VanDerWaalsContact O-CD1 3.29Å; N183-L185 WeakPolarHBondContact O-CD1 2.8Å; N183-L185 PolarHBondContact O-N 3.41Å | ||
| 186 | Y | 62.2 | Low | 66.6 | Low | 190 Ų | 190 | 83.6 Ų | 83.6 | 75% | 0.745 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -78.2 | 136.3 | 163 | -67 | -83.6 | 0 | 0 | 0 | 107.9 | F184 G191 C235 | F184-Y186 PolarHBondContact O-N 3.35Å; Y186-G191 WeakPolarHBondContact O-CA 3.3Å; Y186-C235 PolarHBondContact O-SG 3.37Å |
| 187 | G | 68.2 | Low | 67.7 | Low | 54 Ų | 54 | 84.5 Ų | 84.5 | 56% | 0.557 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 105.6 | -148.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | M192 C235 | G187-M192 CarbonylContact C-O 3.49Å; G187-M192 VanDerWaalsContact CA-O 3.29Å; G187-M192 WeakPolarHBondContact CA-O 3.17Å; G187-C235 WeakPolarHBondContact CA-SG 3.27Å |
| 188 | D | 77.2 | Confident | 68.6 | Low | 25 Ų | 25 | 86 Ų | 86 | 13% | 0.134 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -79.9 | -177.4 | 170.1 | 71.1 | 7 | 0 | 0 | 0 | 112.4 | T190 G191 M192 | D188-T190 VanDerWaalsContact CG-OG1 3.22Å; D188-T190 PolarHBondContact O-N 2.83Å; D188-T190 VanDerWaalsContact OD1-CA 3.31Å; D188-T190 WeakPolarHBondContact OD1-CA 3.49Å; D188-T190 WeakPolarHBondContact OD1-CB 3.3Å; D188-T190 PolarHBondContact OD1-N 2.73Å; D188-T190 PolarHBondContact OD1-OG1 3.31Å; D188-T190 PolarHBondContact OD2-OG1 2.98Å; D188-G191 PolarHBondContact O-N 3.4Å; D188-G191 PolarHBondContact OD1-N 3.27Å; D188-G191 VanDerWaalsContact OD1-N 3.15Å; D188-M192 PolarHBondContact N-O 3.5Å; D188-M192 PolarHBondContact OD1-N 3.17Å |
| 189 | D | 76.9 | Confident | 69.3 | Low | 162 Ų | 162 | 83 Ų | 83 | 87% | 0.866 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -9.6 | 178.5 | -58.6 | -21.8 | 0 | 0 | 0 | 113.9 | ||
| 190 | T | 82.7 | Confident | 69.1 | Low | 15 Ų | 15 | 82.8 Ų | 82.8 | 9% | 0.092 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 8 | 179.2 | 66.3 | 0 | 0 | 0 | 0 | 113.1 | T170 A171 Y172 T173 I176 D188 M192 | T170-T190 HydrophobicContact CG2-CG2 3.86Å; A171-T190 WeakPolarHBondContact O-CB 3.49Å; A171-T190 PolarHBondContact O-OG1 2.9Å; Y172-T190 WeakPolarHBondContact CA-O 3.26Å; Y172-T190 HydrophobicContact CD1-CG2 3.83Å; Y172-T190 HydrophobicContact CE1-CG2 3.56Å; T173-T190 PolarHBondContact N-O 2.99Å; I176-T190 WeakPolarHBondContact CD1-O 3.42Å; D188-T190 VanDerWaalsContact CG-OG1 3.22Å; D188-T190 PolarHBondContact O-N 2.83Å; D188-T190 VanDerWaalsContact OD1-CA 3.31Å; D188-T190 WeakPolarHBondContact OD1-CA 3.49Å; D188-T190 WeakPolarHBondContact OD1-CB 3.3Å; D188-T190 PolarHBondContact OD1-N 2.73Å; D188-T190 PolarHBondContact OD1-OG1 3.31Å; D188-T190 PolarHBondContact OD2-OG1 2.98Å; T190-M192 PolarHBondContact O-N 3.47Å; T190-M192 WeakPolarHBondContact OG1-CG 3.38Å |
| 191 | G | 81.6 | Confident | 69.2 | Low | 3 Ų | 3 | 79.4 Ų | 79.4 | 3% | 0.031 | 43% | 0.431 | C | S | . | . | S | Bend | trans | 69.6 | 17.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y186 D188 | Y186-G191 WeakPolarHBondContact O-CA 3.3Å; D188-G191 PolarHBondContact O-N 3.4Å; D188-G191 PolarHBondContact OD1-N 3.27Å; D188-G191 VanDerWaalsContact OD1-N 3.15Å |
| 192 | M | 84.9 | Confident | 70 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 140.9 | 175.8 | -62.2 | -66.7 | 87.7 | 0 | 0 | 110.1 | P145 A171 T173 G187 D188 T190 Y195 D234 | P145-M192 HydrophobicContact CB-CE 4.19Å; P145-M192 HydrophobicContact CB-SD 3.88Å; P145-M192 HydrophobicContact CG-CE 4.41Å; P145-M192 HydrophobicContact CG-SD 4.33Å; A171-M192 HydrophobicContact CB-CG 3.98Å; A171-M192 HydrophobicContact CB-SD 3.67Å; A171-M192 VanDerWaalsContact O-CG 3.29Å; A171-M192 WeakPolarHBondContact O-CG 3.09Å; T173-M192 VanDerWaalsContact CA-CE 3.42Å; T173-M192 VanDerWaalsContact CB-CE 3.45Å; T173-M192 HydrophobicContact CG2-CE 4.47Å; G187-M192 CarbonylContact C-O 3.49Å; G187-M192 VanDerWaalsContact CA-O 3.29Å; G187-M192 WeakPolarHBondContact CA-O 3.17Å; D188-M192 PolarHBondContact N-O 3.5Å; D188-M192 PolarHBondContact OD1-N 3.17Å; T190-M192 PolarHBondContact O-N 3.47Å; T190-M192 WeakPolarHBondContact OG1-CG 3.38Å; M192-Y195 HydrophobicContact CB-CE2 3.9Å; M192-Y195 HydrophobicContact CG-CE2 4.48Å; M192-Y195 WeakPolarHBondContact CG-OH 3.37Å; M192-D234 HydrophobicContact CE-CB 3.4Å; M192-D234 HydrophobicContact SD-CB 4.5Å |
| 193 | C | 83 | Confident | 71.6 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 47% | 0.466 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -34.7 | -179.3 | -96.4 | 0 | 0 | 0 | 0 | 112.5 | F233 C235 | C193-F233 PolarHBondContact N-O 2.88Å; C193-C235 VanDerWaalsContact CA-SG 3.59Å; C193-C235 HydrophobicContact CB-CB 4.19Å; C193-C235 WeakPolarHBondContact CB-SG 3.42Å; C193-C235 WeakPolarHBondContact SG-CA 3.45Å; C193-C235 WeakPolarHBondContact SG-CB 3.31Å; C193-C235 CovalentContact SG-SG 2.03Å; C193-C235 PolarHBondContact SG-SG 2.81Å |
| 194 | A | 87.5 | Confident | 73.1 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 157 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F233 | A194-F233 HydrophobicContact CB-CB 4.31Å; A194-F233 HydrophobicContact CB-CD2 4.17Å; A194-F233 PolarHBondContact N-O 2.65Å; A194-F233 PolarHBondContact O-N 3.01Å |
| 195 | Y | 88 | Confident | 74.6 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145 | 171.1 | -64.4 | -97.6 | 0 | 0 | 0 | 109.1 | W147 V169 A171 M192 I206 G208 G210 V230 T231 | W147-Y195 AromaticContact CH2-CD1 3.9Å; W147-Y195 HydrophobicContact CH2-CD1 3.9Å; W147-Y195 AromaticContact CH2-CE1 3.89Å; W147-Y195 HydrophobicContact CH2-CE1 3.89Å; W147-Y195 HydrophobicContact CZ3-CD1 4.21Å; W147-Y195 AromaticContact CZ3-CE1 3.83Å; W147-Y195 HydrophobicContact CZ3-CE1 3.83Å; V169-Y195 HydrophobicContact CG2-CD1 4.35Å; V169-Y195 HydrophobicContact CG2-CE1 4.49Å; A171-Y195 HydrophobicContact CB-CE1 4.03Å; A171-Y195 PolarHBondContact N-OH 3.48Å; M192-Y195 HydrophobicContact CB-CE2 3.9Å; M192-Y195 HydrophobicContact CG-CE2 4.48Å; M192-Y195 WeakPolarHBondContact CG-OH 3.37Å; Y195-I206 HydrophobicContact CG-CD1 4.39Å; Y195-G208 WeakPolarHBondContact CD2-O 3.45Å; Y195-G210 VanDerWaalsContact CD2-N 3.31Å; Y195-V230 HydrophobicContact CD1-CG1 4.43Å; Y195-T231 CarbonylContact C-O 3.56Å; Y195-T231 WeakPolarHBondContact CA-O 3.3Å |
| 196 | T | 88.5 | Confident | 75.9 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 149.7 | 178.4 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | V230 T231 F233 | T196-V230 CarbonylContact O-C 3.58Å; T196-V230 WeakPolarHBondContact O-CA 3.31Å; T196-T231 PolarHBondContact N-O 2.85Å; T196-T231 PolarHBondContact O-N 3.41Å; T196-F233 HydrophobicContact CG2-CD2 4.46Å; T196-F233 HydrophobicContact CG2-CE2 3.73Å; T196-F233 WeakPolarHBondContact OG1-CE2 3.4Å |
| 197 | I | 83.5 | Confident | 76.6 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 19% | 0.185 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.6 | 170.2 | -66.3 | 162 | 0 | 0 | 0 | 107.5 | D199 F204 I206 F228 N229 V230 | I197-D199 HydrophobicContact CG2-CB 4.45Å; I197-F204 HydrophobicContact CD1-CB 4.04Å; I197-I206 HydrophobicContact CD1-CB 3.99Å; I197-I206 HydrophobicContact CD1-CG2 4.09Å; I197-I206 HydrophobicContact CG1-CB 4.1Å; I197-I206 HydrophobicContact CG1-CG2 3.81Å; I197-F228 HydrophobicContact CD1-CE2 4.12Å; I197-F228 HydrophobicContact CG1-CD2 4.17Å; I197-F228 HydrophobicContact CG1-CE2 4.09Å; I197-F228 HydrophobicContact CG2-CB 4.24Å; I197-F228 HydrophobicContact CG2-CD2 3.69Å; I197-F228 HydrophobicContact CG2-CE2 4.37Å; I197-F228 HydrophobicContact CG2-CG 4.17Å; I197-N229 WeakPolarHBondContact CA-O 3.16Å; I197-V230 HydrophobicContact CG1-CG2 4.08Å |
| 198 | Q | 74.3 | Confident | 77.1 | Confident | 109 Ų | 109 | 48.9 Ų | 48.9 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | trans | -76.3 | -31.1 | 179.8 | -75.6 | -178.3 | -22.9 | 0 | 0 | 113 | N229 T231 | Q198-N229 HydrophobicContact CB-CB 4.17Å; Q198-N229 HydrophobicContact CG-CB 4.43Å; Q198-N229 PolarHBondContact N-O 2.9Å; Q198-N229 VanDerWaalsContact OE1-CB 3.3Å; Q198-N229 PolarHBondContact OE1-ND2 2.79Å; Q198-T231 WeakPolarHBondContact CG-OG1 3.19Å; Q198-T231 PolarHBondContact NE2-OG1 3.15Å; Q198-T231 VanDerWaalsContact NE2-OG1 3.13Å | ||
| 199 | D | 65.2 | Low | 77.4 | Confident | 71 Ų | 71 | 52.9 Ų | 52.9 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -78.5 | 137.4 | -179.2 | -172.5 | 21.1 | 0 | 0 | 0 | 111.8 | I197 S201 F228 | I197-D199 HydrophobicContact CG2-CB 4.45Å; D199-S201 VanDerWaalsContact C-N 3.28Å; D199-S201 PolarHBondContact O-N 2.64Å; D199-S201 PolarHBondContact OD1-N 2.9Å; D199-S201 WeakPolarHBondContact OD2-CB 3.22Å; D199-S201 PolarHBondContact OD2-OG 2.64Å; D199-F228 HydrophobicContact CB-CB 3.77Å |
| 200 | T | 47.9 | Very low | 77.9 | Confident | 104 Ų | 104 | 45.2 Ų | 45.2 | 64% | 0.638 | 26% | 0.263 | S | S | * | . | trans | -83.7 | 2.6 | -179.8 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | Y202 | T200-Y202 VanDerWaalsContact C-N 3.3Å; T200-Y202 WeakPolarHBondContact O-CD2 3.36Å; T200-Y202 WeakPolarHBondContact O-CE2 3.4Å; T200-Y202 PolarHBondContact O-N 2.77Å | ||
| 201 | S | 52 | Low | 78.1 | Confident | 43 Ų | 43 | 45.1 Ų | 45.1 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | trans | -65.2 | 95.5 | 168.6 | 65.3 | 0 | 0 | 0 | 0 | 108.1 | D199 S203 | D199-S201 VanDerWaalsContact C-N 3.28Å; D199-S201 PolarHBondContact O-N 2.64Å; D199-S201 PolarHBondContact OD1-N 2.9Å; D199-S201 WeakPolarHBondContact OD2-CB 3.22Å; D199-S201 PolarHBondContact OD2-OG 2.64Å; S201-S203 PolarHBondContact O-N 3.32Å | ||
| 202 | Y | 63.6 | Low | 78.4 | Confident | 91 Ų | 91 | 45 Ų | 45 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 18.3 | 179.3 | -63.6 | -85.9 | 0 | 0 | 0 | 114.4 | T200 F204 L215 M966 | T200-Y202 VanDerWaalsContact C-N 3.3Å; T200-Y202 WeakPolarHBondContact O-CD2 3.36Å; T200-Y202 WeakPolarHBondContact O-CE2 3.4Å; T200-Y202 PolarHBondContact O-N 2.77Å; Y202-F204 VanDerWaalsContact C-N 3.32Å; Y202-L215 VanDerWaalsContact O-CB 3.26Å; Y202-L215 WeakPolarHBondContact O-CB 3.4Å; Y202-L215 VanDerWaalsContact O-CD1 3.22Å; Y202-L215 WeakPolarHBondContact O-CD1 3.33Å; Y202-M966 HydrophobicContact CD2-CE 4.43Å; Y202-M966 HydrophobicContact CD2-CG 4.3Å; Y202-M966 HydrophobicContact CD2-SD 4.44Å; Y202-M966 HydrophobicContact CE2-CE 4.16Å; Y202-M966 HydrophobicContact CE2-CG 4.29Å; Y202-M966 HydrophobicContact CE2-SD 3.92Å |
| 203 | S | 77 | Confident | 78.4 | Confident | 17 Ų | 17 | 48.6 Ų | 48.6 | 12% | 0.119 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28 | 176.8 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | S201 L215 I216 | S201-S203 PolarHBondContact O-N 3.32Å; S203-L215 PolarHBondContact O-N 2.8Å; S203-I216 WeakPolarHBondContact OG-CD1 3.42Å |
| 204 | F | 82.4 | Confident | 78.1 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.053 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149 | -176.9 | -56.9 | -82.4 | 0 | 0 | 0 | 112.4 | V166 I197 Y202 I212 R213 F218 Y226 F228 V249 | V166-F204 HydrophobicContact CG2-CD1 4.14Å; V166-F204 HydrophobicContact CG2-CE1 4.01Å; I197-F204 HydrophobicContact CD1-CB 4.04Å; Y202-F204 VanDerWaalsContact C-N 3.32Å; F204-I212 HydrophobicContact CB-CG2 4.09Å; F204-I212 HydrophobicContact CD1-CG2 4.11Å; F204-I212 HydrophobicContact CG-CG2 4.38Å; F204-R213 CarbonylContact C-O 3.5Å; F204-R213 VanDerWaalsContact CA-O 3.28Å; F204-R213 WeakPolarHBondContact CA-O 3.42Å; F204-F218 HydrophobicContact CE1-CE1 4.4Å; F204-F218 AromaticContact CE1-CZ 3.86Å; F204-F218 HydrophobicContact CE1-CZ 3.86Å; F204-F218 HydrophobicContact CZ-CE1 4Å; F204-F218 AromaticContact CZ-CZ 3.91Å; F204-F218 HydrophobicContact CZ-CZ 3.91Å; F204-Y226 AromaticContact CE2-CD1 3.81Å; F204-Y226 HydrophobicContact CE2-CD1 3.81Å; F204-Y226 HydrophobicContact CE2-CD2 4.05Å; F204-Y226 AromaticContact CE2-CG 3.55Å; F204-Y226 HydrophobicContact CE2-CG 3.55Å; F204-Y226 HydrophobicContact CZ-CD1 4.48Å; F204-Y226 AromaticContact CZ-CD2 3.94Å; F204-Y226 HydrophobicContact CZ-CD2 3.94Å; F204-Y226 AromaticContact CZ-CG 3.93Å; F204-Y226 HydrophobicContact CZ-CG 3.93Å; F204-F228 HydrophobicContact CB-CE1 4.44Å; F204-F228 HydrophobicContact CB-CZ 4.27Å; F204-F228 HydrophobicContact CD2-CD1 4.06Å; F204-F228 AromaticContact CD2-CE1 3.47Å; F204-F228 HydrophobicContact CD2-CE1 3.47Å; F204-F228 VanDerWaalsContact CD2-CE1 3.47Å; F204-F228 HydrophobicContact CD2-CZ 4.1Å; F204-F228 HydrophobicContact CE2-CD1 4.42Å; F204-F228 AromaticContact CE2-CE1 3.83Å; F204-F228 HydrophobicContact CE2-CE1 3.83Å; F204-F228 AromaticContact CG-CE1 3.95Å; F204-F228 HydrophobicContact CG-CE1 3.95Å; F204-F228 HydrophobicContact CG-CZ 4.13Å; F204-V249 HydrophobicContact CE1-CB 4.34Å; F204-V249 HydrophobicContact CE1-CG1 4.03Å; F204-V249 HydrophobicContact CE1-CG2 4.1Å; F204-V249 HydrophobicContact CE2-CG2 4.49Å; F204-V249 HydrophobicContact CZ-CB 3.91Å; F204-V249 HydrophobicContact CZ-CG1 3.87Å; F204-V249 HydrophobicContact CZ-CG2 4Å |
| 205 | A | 83.1 | Confident | 77.5 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 31% | 0.314 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 149.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I212 R213 L215 | A205-I212 CarbonylContact O-C 3.41Å; A205-I212 VanDerWaalsContact O-CA 3.31Å; A205-I212 WeakPolarHBondContact O-CA 3.35Å; A205-R213 PolarHBondContact N-O 3.21Å; A205-R213 PolarHBondContact O-N 2.54Å; A205-L215 HydrophobicContact CB-CD1 3.85Å; A205-L215 HydrophobicContact CB-CD2 3.78Å; A205-L215 HydrophobicContact CB-CG 3.84Å |
| 206 | I | 83.4 | Confident | 76.6 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139 | 172.9 | -166 | 163.9 | 0 | 0 | 0 | 109.6 | V169 Y195 I197 V211 I212 V230 | V169-I206 HydrophobicContact CG2-CD1 3.8Å; Y195-I206 HydrophobicContact CG-CD1 4.39Å; I197-I206 HydrophobicContact CD1-CB 3.99Å; I197-I206 HydrophobicContact CD1-CG2 4.09Å; I197-I206 HydrophobicContact CG1-CB 4.1Å; I197-I206 HydrophobicContact CG1-CG2 3.81Å; I206-V211 WeakPolarHBondContact CA-O 3.2Å; I206-I212 HydrophobicContact CB-CG1 4.42Å; I206-I212 HydrophobicContact CD1-CG1 3.87Å; I206-I212 HydrophobicContact CG1-CG1 4.1Å; I206-V230 HydrophobicContact CD1-CG1 3.46Å; I206-V230 VanDerWaalsContact CD1-CG1 3.46Å; I206-V230 HydrophobicContact CD1-CG2 4.18Å |
| 207 | N | 78.3 | Confident | 75.7 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | trans | -92.3 | 174.8 | 174.8 | 73.1 | 2.3 | 0 | 0 | 0 | 111.7 | H209 G210 V211 R213 | N207-H209 PolarHBondContact O-N 3.17Å; N207-H209 PolarHBondContact OD1-N 3.02Å; N207-H209 VanDerWaalsContact OD1-N 3.07Å; N207-G210 PolarHBondContact O-N 2.89Å; N207-G210 PolarHBondContact OD1-N 3.29Å; N207-V211 PolarHBondContact N-O 2.95Å; N207-V211 VanDerWaalsContact N-O 3.15Å; N207-V211 WeakPolarHBondContact OD1-CB 3.35Å; N207-V211 PolarHBondContact OD1-N 2.67Å; N207-R213 PolarHBondContact ND2-NH1 3.27Å | ||
| 208 | G | 79 | Confident | 75.3 | Confident | 42 Ų | 42 | 51 Ų | 51 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -6.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y195 | Y195-G208 WeakPolarHBondContact CD2-O 3.45Š|
| 209 | H | 81.9 | Confident | 74.9 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 13 | 176.7 | -57.9 | -65 | 0 | 0 | 0 | 113 | K168 N207 V211 | K168-H209 VanDerWaalsContact CE-O 3.22Å; K168-H209 WeakPolarHBondContact CE-O 3.42Å; N207-H209 PolarHBondContact O-N 3.17Å; N207-H209 PolarHBondContact OD1-N 3.02Å; N207-H209 VanDerWaalsContact OD1-N 3.07Å; H209-V211 PolarHBondContact O-N 2.82Å |
| 210 | G | 87.3 | Confident | 75 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 78.7 | 11.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K168 V169 Y195 N207 | K168-G210 WeakPolarHBondContact CA-O 3.42Å; V169-G210 WeakPolarHBondContact CG2-O 3.06Å; V169-G210 PolarHBondContact N-O 3.03Å; Y195-G210 VanDerWaalsContact CD2-N 3.31Å; N207-G210 PolarHBondContact O-N 2.89Å; N207-G210 PolarHBondContact OD1-N 3.29Å |
| 211 | V | 86.8 | Confident | 75.6 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.2 | 178.8 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | E165 K168 I206 N207 H209 | E165-V211 HydrophobicContact CB-CG1 4.21Å; E165-V211 VanDerWaalsContact CD-CG1 3.42Å; E165-V211 HydrophobicContact CG-CG1 3.57Å; E165-V211 WeakPolarHBondContact OE2-CG1 3.31Å; K168-V211 HydrophobicContact CB-CG2 4.35Å; K168-V211 HydrophobicContact CD-CG2 4.1Å; K168-V211 HydrophobicContact CG-CG2 4.08Å; I206-V211 WeakPolarHBondContact CA-O 3.2Å; N207-V211 PolarHBondContact N-O 2.95Å; N207-V211 VanDerWaalsContact N-O 3.15Å; N207-V211 WeakPolarHBondContact OD1-CB 3.35Å; N207-V211 PolarHBondContact OD1-N 2.67Å; H209-V211 PolarHBondContact O-N 2.82Å |
| 212 | I | 88.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.3 | 178.1 | -59.2 | 173.8 | 0 | 0 | 0 | 109.6 | F154 V166 G167 V169 F204 A205 I206 F228 V230 V247 | F154-I212 HydrophobicContact CE2-CD1 4.03Å; V166-I212 HydrophobicContact CB-CG2 4.28Å; V166-I212 PolarHBondContact N-O 3.29Å; G167-I212 PolarHBondContact N-O 2.96Å; G167-I212 PolarHBondContact O-N 3.16Å; V169-I212 HydrophobicContact CG1-CD1 3.9Å; F204-I212 HydrophobicContact CB-CG2 4.09Å; F204-I212 HydrophobicContact CD1-CG2 4.11Å; F204-I212 HydrophobicContact CG-CG2 4.38Å; A205-I212 CarbonylContact O-C 3.41Å; A205-I212 VanDerWaalsContact O-CA 3.31Å; A205-I212 WeakPolarHBondContact O-CA 3.35Å; I206-I212 HydrophobicContact CB-CG1 4.42Å; I206-I212 HydrophobicContact CD1-CG1 3.87Å; I206-I212 HydrophobicContact CG1-CG1 4.1Å; I212-F228 HydrophobicContact CD1-CE2 4.07Å; I212-F228 HydrophobicContact CD1-CZ 4.18Å; I212-F228 HydrophobicContact CG2-CZ 4.21Å; I212-V230 HydrophobicContact CD1-CG2 4.21Å; I212-V247 HydrophobicContact CD1-CG1 3.94Å; I212-V247 HydrophobicContact CD1-CG2 4.28Å |
| 213 | R | 84.8 | Confident | 77.2 | Confident | 77 Ų | 77 | 49 Ų | 49 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144.9 | 176.9 | -68.5 | 177.5 | 171.1 | 79.3 | 5.6 | 110.3 | G163 Y164 F204 A205 N207 | G163-R213 VanDerWaalsContact O-CD 3.31Å; G163-R213 WeakPolarHBondContact O-CD 3.28Å; Y164-R213 WeakPolarHBondContact O-CA 3.27Å; Y164-R213 VanDerWaalsContact O-CB 3.31Å; Y164-R213 WeakPolarHBondContact O-CB 3.32Å; Y164-R213 WeakPolarHBondContact O-CG 3.48Å; F204-R213 CarbonylContact C-O 3.5Å; F204-R213 VanDerWaalsContact CA-O 3.28Å; F204-R213 WeakPolarHBondContact CA-O 3.42Å; A205-R213 PolarHBondContact N-O 3.21Å; A205-R213 PolarHBondContact O-N 2.54Å; N207-R213 PolarHBondContact ND2-NH1 3.27Å |
| 214 | S | 77.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 143.7 | 168.5 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | G163 Y164 I216 F218 | G163-S214 WeakPolarHBondContact CA-O 3.3Å; G163-S214 PolarHBondContact N-O 2.86Å; Y164-S214 PolarHBondContact O-N 2.9Å; S214-I216 PolarHBondContact OG-N 2.96Å; S214-I216 PolarHBondContact OG-O 2.86Å; S214-F218 WeakPolarHBondContact OG-CE2 3.47Å; S214-F218 VanDerWaalsContact OG-CZ 3.22Å; S214-F218 WeakPolarHBondContact OG-CZ 3.41Å |
| 215 | L | 73.6 | Confident | 77.8 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | trans | -108.3 | -9.7 | 170.9 | -68.7 | 179.3 | 0 | 0 | 0 | 112.4 | Y202 S203 A205 | Y202-L215 VanDerWaalsContact O-CB 3.26Å; Y202-L215 WeakPolarHBondContact O-CB 3.4Å; Y202-L215 VanDerWaalsContact O-CD1 3.22Å; Y202-L215 WeakPolarHBondContact O-CD1 3.33Å; S203-L215 PolarHBondContact O-N 2.8Å; A205-L215 HydrophobicContact CB-CD1 3.85Å; A205-L215 HydrophobicContact CB-CD2 3.78Å; A205-L215 HydrophobicContact CB-CG 3.84Å | ||
| 216 | I | 69.9 | Low | 78.1 | Confident | 43 Ų | 43 | 56 Ų | 56 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -125.7 | 157.7 | -175.2 | 63.6 | 168.2 | 0 | 0 | 0 | 111.2 | S203 S214 F218 | S203-I216 WeakPolarHBondContact OG-CD1 3.42Å; S214-I216 PolarHBondContact OG-N 2.96Å; S214-I216 PolarHBondContact OG-O 2.86Å; I216-F218 HydrophobicContact CD1-CD1 4.22Å; I216-F218 HydrophobicContact CD1-CE1 4.11Å; I216-F218 HydrophobicContact CG1-CD1 4.27Å; I216-F218 HydrophobicContact CG1-CE1 3.96Å; I216-F218 HydrophobicContact CG1-CZ 4.48Å |
| 217 | R | 70.2 | Confident | 78.4 | Confident | 173 Ų | 173 | 61 Ų | 61 | 65% | 0.653 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 132.2 | 165.7 | -177.6 | 174.6 | -105.2 | 180 | -6.1 | 108.2 | P162 | P162-R217 HydrophobicContact CG-CB 4.05Š|
| 218 | F | 74 | Confident | 79 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 159.2 | -177.8 | -56.9 | -71.9 | 0 | 0 | 0 | 112.1 | I156 H160 F204 S214 I216 Y226 V251 | I156-F218 HydrophobicContact CD1-CD2 4.17Å; I156-F218 HydrophobicContact CD1-CE2 3.35Å; I156-F218 HydrophobicContact CD1-CZ 3.68Å; I156-F218 HydrophobicContact CG1-CE2 4.42Å; H160-F218 HydrophobicContact CB-CD2 4.34Å; H160-F218 HydrophobicContact CB-CE2 4.26Å; F204-F218 HydrophobicContact CE1-CE1 4.4Å; F204-F218 AromaticContact CE1-CZ 3.86Å; F204-F218 HydrophobicContact CE1-CZ 3.86Å; F204-F218 HydrophobicContact CZ-CE1 4Å; F204-F218 AromaticContact CZ-CZ 3.91Å; F204-F218 HydrophobicContact CZ-CZ 3.91Å; S214-F218 WeakPolarHBondContact OG-CE2 3.47Å; S214-F218 VanDerWaalsContact OG-CZ 3.22Å; S214-F218 WeakPolarHBondContact OG-CZ 3.41Å; I216-F218 HydrophobicContact CD1-CD1 4.22Å; I216-F218 HydrophobicContact CD1-CE1 4.11Å; I216-F218 HydrophobicContact CG1-CD1 4.27Å; I216-F218 HydrophobicContact CG1-CE1 3.96Å; I216-F218 HydrophobicContact CG1-CZ 4.48Å; F218-Y226 AromaticContact CD1-CE2 3.78Å; F218-Y226 HydrophobicContact CD1-CE2 3.78Å; F218-Y226 HydrophobicContact CE1-CD2 4.35Å; F218-Y226 AromaticContact CE1-CE2 3.62Å; F218-Y226 HydrophobicContact CE1-CE2 3.62Å; F218-Y226 AromaticContact CE1-CZ 3.92Å; F218-V251 HydrophobicContact CB-CG1 3.66Å; F218-V251 HydrophobicContact CD1-CG1 4.2Å; F218-V251 HydrophobicContact CD1-CG2 3.83Å; F218-V251 HydrophobicContact CD2-CG1 3.95Å; F218-V251 HydrophobicContact CD2-CG2 4.32Å; F218-V251 HydrophobicContact CE1-CG2 3.87Å; F218-V251 HydrophobicContact CE2-CG2 4.37Å; F218-V251 HydrophobicContact CG-CB 4.43Å; F218-V251 HydrophobicContact CG-CG1 3.66Å; F218-V251 HydrophobicContact CG-CG2 4.06Å; F218-V251 HydrophobicContact CZ-CG2 4.15Å |
| 219 | N | 66.9 | Low | 79.7 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 133.4 | 173.8 | -173.8 | -0.1 | 0 | 0 | 0 | 109.9 | S158 H221 | S158-N219 VanDerWaalsContact CB-O 3.28Å; S158-N219 WeakPolarHBondContact CB-O 3.29Å; N219-H221 VanDerWaalsContact C-N 3.34Å; N219-H221 PolarHBondContact OD1-CD2 3.26Å; N219-H221 VanDerWaalsContact OD1-CD2 3.28Å; N219-H221 PolarHBondContact OD1-N 2.83Å; N219-H221 VanDerWaalsContact OD1-N 3.09Å |
| 220 | N | 66.3 | Low | 80.2 | Confident | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -84.2 | -6.8 | -178.9 | -67.3 | -30.1 | 0 | 0 | 0 | 114 | S158 T254 V256 | S158-N220 VanDerWaalsContact CB-OD1 3.23Å; S158-N220 WeakPolarHBondContact CB-OD1 3.3Å; S158-N220 PolarHBondContact O-OD1 2.95Å; S158-N220 WeakPolarHBondContact OG-CA 3.45Å; S158-N220 PolarHBondContact OG-OD1 3.07Å; N220-T254 WeakPolarHBondContact CB-O 3.36Å; N220-T254 VanDerWaalsContact O-O 3.14Å; N220-V256 HydrophobicContact CB-CG2 4.04Å; N220-V256 VanDerWaalsContact ND2-CG2 3.27Å; N220-V256 WeakPolarHBondContact ND2-CG2 3.33Å |
| 221 | H | 61.8 | Low | 80.4 | Confident | 123 Ų | 123 | 55.3 Ų | 55.3 | 57% | 0.569 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -99.5 | -22.8 | -170.7 | -59.2 | -48.1 | 0 | 0 | 0 | 114.6 | N219 | N219-H221 VanDerWaalsContact C-N 3.34Å; N219-H221 PolarHBondContact OD1-CD2 3.26Å; N219-H221 VanDerWaalsContact OD1-CD2 3.28Å; N219-H221 PolarHBondContact OD1-N 2.83Å; N219-H221 VanDerWaalsContact OD1-N 3.09Å |
| 222 | T | 69.5 | Low | 80.6 | Confident | 70 Ų | 70 | 54.7 Ų | 54.7 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -138.4 | 135.6 | -173 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | M224 | T222-M224 PolarHBondContact O-N 3.26Š|
| 223 | D | 78.6 | Confident | 80.6 | Confident | 81 Ų | 81 | 57.3 Ų | 57.3 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | trans | -60.9 | 135.7 | 170.3 | -70.7 | 3.2 | 0 | 0 | 0 | 109.1 | Y250 V251 A253 | D223-Y250 PolarHBondContact OD2-OH 3.09Å; D223-V251 WeakPolarHBondContact CA-O 3.36Å; D223-A253 WeakPolarHBondContact OD1-CB 3.44Å; D223-A253 PolarHBondContact OD1-N 3.17Å | ||
| 224 | M | 84.6 | Confident | 80.6 | Confident | 72 Ų | 72 | 53.7 Ų | 53.7 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.1 | -178.3 | -64.6 | -73.9 | -77.6 | 0 | 0 | 110 | T222 Y226 V251 | T222-M224 PolarHBondContact O-N 3.26Å; M224-Y226 HydrophobicContact CB-CD2 4.48Å; M224-Y226 HydrophobicContact CB-CE2 3.76Å; M224-V251 HydrophobicContact CB-CB 4.21Å; M224-V251 PolarHBondContact N-O 2.83Å; M224-V251 PolarHBondContact O-N 3.39Å |
| 225 | L | 88.3 | Confident | 80.8 | Confident | 106 Ų | 106 | 55.1 Ų | 55.1 | 56% | 0.555 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.6 | 175.5 | -174.7 | 70.2 | 0 | 0 | 0 | 108.9 | E227 T248 Y250 | L225-E227 HydrophobicContact CG-CG 4.39Å; L225-T248 HydrophobicContact CD1-CG2 3.35Å; L225-T248 HydrophobicContact CG-CG2 4.17Å; L225-Y250 HydrophobicContact CD1-CD2 4.22Å |
| 226 | Y | 89.3 | Confident | 81 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.9 | 174.6 | -62.2 | -92.8 | 0 | 0 | 0 | 109.8 | F204 F218 M224 T248 V249 V251 | F204-Y226 AromaticContact CE2-CD1 3.81Å; F204-Y226 HydrophobicContact CE2-CD1 3.81Å; F204-Y226 HydrophobicContact CE2-CD2 4.05Å; F204-Y226 AromaticContact CE2-CG 3.55Å; F204-Y226 HydrophobicContact CE2-CG 3.55Å; F204-Y226 HydrophobicContact CZ-CD1 4.48Å; F204-Y226 AromaticContact CZ-CD2 3.94Å; F204-Y226 HydrophobicContact CZ-CD2 3.94Å; F204-Y226 AromaticContact CZ-CG 3.93Å; F204-Y226 HydrophobicContact CZ-CG 3.93Å; F218-Y226 AromaticContact CD1-CE2 3.78Å; F218-Y226 HydrophobicContact CD1-CE2 3.78Å; F218-Y226 HydrophobicContact CE1-CD2 4.35Å; F218-Y226 AromaticContact CE1-CE2 3.62Å; F218-Y226 HydrophobicContact CE1-CE2 3.62Å; F218-Y226 AromaticContact CE1-CZ 3.92Å; M224-Y226 HydrophobicContact CB-CD2 4.48Å; M224-Y226 HydrophobicContact CB-CE2 3.76Å; Y226-T248 CarbonylContact O-C 3.54Å; Y226-T248 VanDerWaalsContact O-CA 3.29Å; Y226-T248 WeakPolarHBondContact O-CA 3.27Å; Y226-V249 PolarHBondContact N-O 3.29Å; Y226-V249 PolarHBondContact O-N 2.81Å; Y226-V251 HydrophobicContact CD2-CG2 3.93Å; Y226-V251 HydrophobicContact CE2-CG2 3.73Å |
| 227 | E | 90.1 | Very high | 81.3 | Confident | 135 Ų | 135 | 62.2 Ų | 62.2 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.4 | 176.3 | -64.1 | -172.6 | 141.4 | 0 | 0 | 109.3 | L225 V247 T248 | L225-E227 HydrophobicContact CG-CG 4.39Å; E227-V247 WeakPolarHBondContact CA-O 3.44Å; E227-T248 HydrophobicContact CG-CG2 4.12Å |
| 228 | F | 90.6 | Very high | 81.5 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 163.5 | 178.5 | 56.9 | -92.4 | 0 | 0 | 0 | 111.2 | I197 D199 F204 I212 V230 V247 V249 | I197-F228 HydrophobicContact CD1-CE2 4.12Å; I197-F228 HydrophobicContact CG1-CD2 4.17Å; I197-F228 HydrophobicContact CG1-CE2 4.09Å; I197-F228 HydrophobicContact CG2-CB 4.24Å; I197-F228 HydrophobicContact CG2-CD2 3.69Å; I197-F228 HydrophobicContact CG2-CE2 4.37Å; I197-F228 HydrophobicContact CG2-CG 4.17Å; D199-F228 HydrophobicContact CB-CB 3.77Å; F204-F228 HydrophobicContact CB-CE1 4.44Å; F204-F228 HydrophobicContact CB-CZ 4.27Å; F204-F228 HydrophobicContact CD2-CD1 4.06Å; F204-F228 AromaticContact CD2-CE1 3.47Å; F204-F228 HydrophobicContact CD2-CE1 3.47Å; F204-F228 VanDerWaalsContact CD2-CE1 3.47Å; F204-F228 HydrophobicContact CD2-CZ 4.1Å; F204-F228 HydrophobicContact CE2-CD1 4.42Å; F204-F228 AromaticContact CE2-CE1 3.83Å; F204-F228 HydrophobicContact CE2-CE1 3.83Å; F204-F228 AromaticContact CG-CE1 3.95Å; F204-F228 HydrophobicContact CG-CE1 3.95Å; F204-F228 HydrophobicContact CG-CZ 4.13Å; I212-F228 HydrophobicContact CD1-CE2 4.07Å; I212-F228 HydrophobicContact CD1-CZ 4.18Å; I212-F228 HydrophobicContact CG2-CZ 4.21Å; F228-V230 HydrophobicContact CD2-CG2 4.08Å; F228-V230 HydrophobicContact CE2-CG2 3.84Å; F228-V247 HydrophobicContact CD2-CB 4.09Å; F228-V247 HydrophobicContact CE1-CG1 4.32Å; F228-V247 HydrophobicContact CE2-CB 3.73Å; F228-V247 HydrophobicContact CE2-CG1 3.87Å; F228-V247 HydrophobicContact CE2-CG2 4.25Å; F228-V247 HydrophobicContact CZ-CB 4.02Å; F228-V247 HydrophobicContact CZ-CG1 3.68Å; F228-V247 PolarHBondContact N-O 2.97Å; F228-V247 PolarHBondContact O-N 3.41Å; F228-V249 HydrophobicContact CE1-CG2 3.85Å; F228-V249 HydrophobicContact CZ-CG2 4.15Å |
| 229 | N | 92.4 | Very high | 81.6 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 139 | 178.8 | -74.3 | -12.5 | 0 | 0 | 0 | 111.1 | I197 Q198 T244 | I197-N229 WeakPolarHBondContact CA-O 3.16Å; Q198-N229 HydrophobicContact CB-CB 4.17Å; Q198-N229 HydrophobicContact CG-CB 4.43Å; Q198-N229 PolarHBondContact N-O 2.9Å; Q198-N229 VanDerWaalsContact OE1-CB 3.3Å; Q198-N229 PolarHBondContact OE1-ND2 2.79Å; N229-T244 HydrophobicContact CB-CG2 3.63Å |
| 230 | V | 93.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.7 | 171.7 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | W147 V169 Y195 T196 I197 I206 I212 F228 T244 V245 V247 | W147-V230 HydrophobicContact CH2-CG1 3.94Å; W147-V230 WeakPolarHBondContact CZ2-O 3.43Å; V169-V230 HydrophobicContact CG2-CG1 4.01Å; Y195-V230 HydrophobicContact CD1-CG1 4.43Å; T196-V230 CarbonylContact O-C 3.58Å; T196-V230 WeakPolarHBondContact O-CA 3.31Å; I197-V230 HydrophobicContact CG1-CG2 4.08Å; I206-V230 HydrophobicContact CD1-CG1 3.46Å; I206-V230 VanDerWaalsContact CD1-CG1 3.46Å; I206-V230 HydrophobicContact CD1-CG2 4.18Å; I212-V230 HydrophobicContact CD1-CG2 4.21Å; F228-V230 HydrophobicContact CD2-CG2 4.08Å; F228-V230 HydrophobicContact CE2-CG2 3.84Å; V230-T244 CarbonylContact O-C 3.57Å; V230-T244 VanDerWaalsContact O-CA 3.25Å; V230-T244 WeakPolarHBondContact O-CA 3.01Å; V230-V245 HydrophobicContact CB-CG1 4.19Å; V230-V245 PolarHBondContact N-O 2.99Å; V230-V245 PolarHBondContact O-N 2.9Å; V230-V247 HydrophobicContact CB-CG2 4.24Å; V230-V247 HydrophobicContact CG2-CB 4.48Å; V230-V247 HydrophobicContact CG2-CG2 3.57Å |
| 231 | T | 90.7 | Very high | 83.4 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 124 | 174.7 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | Y195 T196 Q198 F233 S243 T244 | Y195-T231 CarbonylContact C-O 3.56Å; Y195-T231 WeakPolarHBondContact CA-O 3.3Å; T196-T231 PolarHBondContact N-O 2.85Å; T196-T231 PolarHBondContact O-N 3.41Å; Q198-T231 WeakPolarHBondContact CG-OG1 3.19Å; Q198-T231 PolarHBondContact NE2-OG1 3.15Å; Q198-T231 VanDerWaalsContact NE2-OG1 3.13Å; T231-F233 HydrophobicContact CG2-CE1 4.24Å; T231-F233 HydrophobicContact CG2-CE2 3.91Å; T231-F233 HydrophobicContact CG2-CZ 3.71Å; T231-S243 CarbonylContact C-O 3.52Å; T231-S243 WeakPolarHBondContact CA-O 3.38Å; T231-T244 PolarHBondContact OG1-OG1 3.21Å |
| 232 | G | 91 | Very high | 84.7 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S242 S243 | G232-S242 WeakPolarHBondContact O-CA 3.42Å; G232-S242 WeakPolarHBondContact O-CB 3.34Å; G232-S243 PolarHBondContact N-O 2.81Å; G232-S243 PolarHBondContact O-N 3.5Å; G232-S243 VanDerWaalsContact O-N 3.11Å |
| 233 | F | 89.8 | Confident | 85.6 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.4 | -179.4 | -59.4 | -92.4 | 0 | 0 | 0 | 109.6 | C193 A194 T196 T231 P240 Y241 | C193-F233 PolarHBondContact N-O 2.88Å; A194-F233 HydrophobicContact CB-CB 4.31Å; A194-F233 HydrophobicContact CB-CD2 4.17Å; A194-F233 PolarHBondContact N-O 2.65Å; A194-F233 PolarHBondContact O-N 3.01Å; T196-F233 HydrophobicContact CG2-CD2 4.46Å; T196-F233 HydrophobicContact CG2-CE2 3.73Å; T196-F233 WeakPolarHBondContact OG1-CE2 3.4Å; T231-F233 HydrophobicContact CG2-CE1 4.24Å; T231-F233 HydrophobicContact CG2-CE2 3.91Å; T231-F233 HydrophobicContact CG2-CZ 3.71Å; F233-P240 HydrophobicContact CB-CB 4.31Å; F233-P240 HydrophobicContact CD1-CG 4.23Å; F233-Y241 WeakPolarHBondContact CA-O 3.19Å |
| 234 | D | 85.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -178.5 | 170.4 | 74.4 | 12.3 | 0 | 0 | 0 | 112.7 | P145 M192 H236 P240 Y241 | P145-D234 HydrophobicContact CG-CB 4.19Å; M192-D234 HydrophobicContact CE-CB 3.4Å; M192-D234 HydrophobicContact SD-CB 4.5Å; D234-H236 WeakPolarHBondContact OD1-CB 3.2Å; D234-H236 IonicContact OD1-CG 2.91Å; D234-H236 PolarHBondContact OD1-N 2.99Å; D234-H236 IonicContact OD1-ND1 2.88Å; D234-H236 PolarHBondContact OD1-ND1 2.93Å; D234-H236 IonicContact OD2-CE1 3.77Å; D234-H236 IonicContact OD2-CG 2.82Å; D234-H236 IonicContact OD2-ND1 3.75Å; D234-H236 PolarHBondContact OD2-ND1 2.99Å; D234-P240 WeakPolarHBondContact O-CB 3.36Å; D234-Y241 PolarHBondContact N-O 3.44Å; D234-Y241 PolarHBondContact OD1-N 2.79Å |
| 235 | C | 80.8 | Confident | 86.7 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 20% | 0.203 | 31% | 0.308 | C | S | . | . | trans | -95 | 17.2 | -177.4 | -58.6 | 0 | 0 | 0 | 0 | 113.9 | Y186 G187 C193 | Y186-C235 PolarHBondContact O-SG 3.37Å; G187-C235 WeakPolarHBondContact CA-SG 3.27Å; C193-C235 VanDerWaalsContact CA-SG 3.59Å; C193-C235 HydrophobicContact CB-CB 4.19Å; C193-C235 WeakPolarHBondContact CB-SG 3.42Å; C193-C235 WeakPolarHBondContact SG-CA 3.45Å; C193-C235 WeakPolarHBondContact SG-CB 3.31Å; C193-C235 CovalentContact SG-SG 2.03Å; C193-C235 PolarHBondContact SG-SG 2.81Å | ||
| 236 | H | 77.5 | Confident | 87 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 33% | 0.329 | 30% | 0.3 | S | S | . | . | trans | -67.4 | 138.1 | 176.8 | -78.7 | 90.1 | 0 | 0 | 0 | 111.3 | D234 I239 P240 Y241 | D234-H236 WeakPolarHBondContact OD1-CB 3.2Å; D234-H236 IonicContact OD1-CG 2.91Å; D234-H236 PolarHBondContact OD1-N 2.99Å; D234-H236 IonicContact OD1-ND1 2.88Å; D234-H236 PolarHBondContact OD1-ND1 2.93Å; D234-H236 IonicContact OD2-CE1 3.77Å; D234-H236 IonicContact OD2-CG 2.82Å; D234-H236 IonicContact OD2-ND1 3.75Å; D234-H236 PolarHBondContact OD2-ND1 2.99Å; H236-I239 CarbonylContact O-C 3.5Å; H236-I239 VanDerWaalsContact O-C 3.31Å; H236-P240 VanDerWaalsContact O-CA 3.23Å; H236-P240 WeakPolarHBondContact O-CA 3.16Å; H236-Y241 HydrophobicContact CB-CD2 3.85Å; H236-Y241 HydrophobicContact CB-CE2 4.02Å; H236-Y241 AromaticContact CD2-CE2 3.89Å; H236-Y241 AromaticContact CG-CD2 3.64Å; H236-Y241 AromaticContact CG-CE2 3.7Å; H236-Y241 AromaticContact ND1-CD2 3.56Å; H236-Y241 AromaticContact ND1-CE2 3.95Å | ||
| 237 | L | 75.5 | Confident | 87.2 | Confident | 159 Ų | 159 | 53.9 Ų | 53.9 | 83% | 0.832 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -118.5 | 146.1 | 177.8 | -68 | 174.9 | 0 | 0 | 0 | 110.2 | ||
| 238 | P | 74.5 | Confident | 87.3 | Confident | 124 Ų | 124 | 48.8 Ų | 48.8 | 81% | 0.805 | 27% | 0.272 | S | S | * | . | S | Bend | cis | -82.2 | -17.2 | 3.9 | 31.9 | -35 | 0 | 0 | 0 | 114.7 | ||
| 239 | I | 77.6 | Confident | 87.4 | Confident | 133 Ų | 133 | 48.3 Ų | 48.3 | 68% | 0.682 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -113.5 | 117 | -179.4 | -59.2 | 170.3 | 0 | 0 | 0 | 107.8 | H236 | H236-I239 CarbonylContact O-C 3.5Å; H236-I239 VanDerWaalsContact O-C 3.31Å |
| 240 | P | 83.9 | Confident | 87.4 | Confident | 51 Ų | 51 | 49 Ų | 49 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | trans | -69.8 | 138.8 | 175.7 | 28.5 | -33.7 | 0 | 0 | 0 | 110.1 | F233 D234 H236 | F233-P240 HydrophobicContact CB-CB 4.31Å; F233-P240 HydrophobicContact CD1-CG 4.23Å; D234-P240 WeakPolarHBondContact O-CB 3.36Å; H236-P240 VanDerWaalsContact O-CA 3.23Å; H236-P240 WeakPolarHBondContact O-CA 3.16Å | ||
| 241 | Y | 86 | Confident | 87.1 | Confident | 87 Ų | 87 | 49 Ų | 49 | 34% | 0.341 | 27% | 0.268 | S | S | . | . | trans | -74 | 143.3 | 169.9 | -61.4 | -69.5 | 0 | 0 | 0 | 109.2 | D143 P145 F233 D234 H236 | D143-Y241 HydrophobicContact CB-CD1 4.47Å; D143-Y241 HydrophobicContact CB-CD2 4.23Å; D143-Y241 HydrophobicContact CB-CE1 4.11Å; D143-Y241 HydrophobicContact CB-CE2 3.84Å; D143-Y241 VanDerWaalsContact O-CB 3.27Å; D143-Y241 WeakPolarHBondContact O-CB 3.28Å; D143-Y241 WeakPolarHBondContact O-CD2 3.13Å; P145-Y241 WeakPolarHBondContact CG-O 3.21Å; F233-Y241 WeakPolarHBondContact CA-O 3.19Å; D234-Y241 PolarHBondContact N-O 3.44Å; D234-Y241 PolarHBondContact OD1-N 2.79Å; H236-Y241 HydrophobicContact CB-CD2 3.85Å; H236-Y241 HydrophobicContact CB-CE2 4.02Å; H236-Y241 AromaticContact CD2-CE2 3.89Å; H236-Y241 AromaticContact CG-CD2 3.64Å; H236-Y241 AromaticContact CG-CE2 3.7Å; H236-Y241 AromaticContact ND1-CD2 3.56Å; H236-Y241 AromaticContact ND1-CE2 3.95Å | ||
| 242 | S | 89.1 | Confident | 86.8 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 38% | 0.378 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.4 | -177.2 | 64.3 | 0 | 0 | 0 | 0 | 112.1 | G232 | G232-S242 WeakPolarHBondContact O-CA 3.42Å; G232-S242 WeakPolarHBondContact O-CB 3.34Å |
| 243 | S | 89.4 | Confident | 86 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.2 | 178 | -178.6 | 0 | 0 | 0 | 0 | 109 | P145 W147 T231 G232 | P145-S243 WeakPolarHBondContact O-CB 3.38Å; P145-S243 PolarHBondContact O-OG 3.43Å; W147-S243 WeakPolarHBondContact CZ2-O 3.39Å; W147-S243 PolarHBondContact NE1-OG 3.44Å; W147-S243 VanDerWaalsContact NE1-OG 3.14Å; T231-S243 CarbonylContact C-O 3.52Å; T231-S243 WeakPolarHBondContact CA-O 3.38Å; G232-S243 PolarHBondContact N-O 2.81Å; G232-S243 PolarHBondContact O-N 3.5Å; G232-S243 VanDerWaalsContact O-N 3.11Å |
| 244 | T | 91.8 | Very high | 85 | Confident | 58 Ų | 58 | 55 Ų | 55 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 140.6 | -173.1 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | N229 V230 T231 | N229-T244 HydrophobicContact CB-CG2 3.63Å; V230-T244 CarbonylContact O-C 3.57Å; V230-T244 VanDerWaalsContact O-CA 3.25Å; V230-T244 WeakPolarHBondContact O-CA 3.01Å; T231-T244 PolarHBondContact OG1-OG1 3.21Å |
| 245 | V | 93 | Very high | 84.2 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 138.1 | 176.9 | 71 | 0 | 0 | 0 | 0 | 111.3 | W147 T150 Y152 V230 V247 | W147-V245 HydrophobicContact CD2-CB 3.67Å; W147-V245 HydrophobicContact CD2-CG1 3.64Å; W147-V245 HydrophobicContact CD2-CG2 4.41Å; W147-V245 HydrophobicContact CE3-CB 4.14Å; W147-V245 HydrophobicContact CE3-CG1 3.6Å; W147-V245 HydrophobicContact CG-CB 3.89Å; W147-V245 HydrophobicContact CG-CG1 4.36Å; W147-V245 HydrophobicContact CG-CG2 4.3Å; W147-V245 HydrophobicContact CH2-CG1 3.74Å; W147-V245 HydrophobicContact CZ2-CB 4.17Å; W147-V245 HydrophobicContact CZ2-CG1 3.75Å; W147-V245 HydrophobicContact CZ3-CG1 3.66Å; T150-V245 WeakPolarHBondContact O-CG2 3.48Å; Y152-V245 HydrophobicContact CD2-CG1 4.03Å; Y152-V245 HydrophobicContact CD2-CG2 3.8Å; Y152-V245 HydrophobicContact CE2-CG1 4.03Å; Y152-V245 HydrophobicContact CE2-CG2 3.89Å; V230-V245 HydrophobicContact CB-CG1 4.19Å; V230-V245 PolarHBondContact N-O 2.99Å; V230-V245 PolarHBondContact O-N 2.9Å; V245-V247 HydrophobicContact CG1-CG2 4.46Å |
| 246 | P | 94.5 | Very high | 83.5 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 139.7 | 173.3 | 29.9 | -34.6 | 0 | 0 | 0 | 111.7 | K151 Y152 | K151-P246 WeakPolarHBondContact CA-O 3.04Å; K151-P246 HydrophobicContact CB-CG 3.96Å; Y152-P246 PolarHBondContact N-O 3.23Å |
| 247 | V | 94.1 | Very high | 83.3 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131.3 | 177.9 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | Y152 F154 V169 I212 E227 F228 V230 V245 V249 | Y152-V247 CarbonylContact O-C 3.54Å; Y152-V247 WeakPolarHBondContact O-CA 3.25Å; F154-V247 HydrophobicContact CD2-CG1 3.8Å; F154-V247 HydrophobicContact CE2-CG1 3.66Å; V169-V247 HydrophobicContact CG1-CG2 4.09Å; I212-V247 HydrophobicContact CD1-CG1 3.94Å; I212-V247 HydrophobicContact CD1-CG2 4.28Å; E227-V247 WeakPolarHBondContact CA-O 3.44Å; F228-V247 HydrophobicContact CD2-CB 4.09Å; F228-V247 HydrophobicContact CE1-CG1 4.32Å; F228-V247 HydrophobicContact CE2-CB 3.73Å; F228-V247 HydrophobicContact CE2-CG1 3.87Å; F228-V247 HydrophobicContact CE2-CG2 4.25Å; F228-V247 HydrophobicContact CZ-CB 4.02Å; F228-V247 HydrophobicContact CZ-CG1 3.68Å; F228-V247 PolarHBondContact N-O 2.97Å; F228-V247 PolarHBondContact O-N 3.41Å; V230-V247 HydrophobicContact CB-CG2 4.24Å; V230-V247 HydrophobicContact CG2-CB 4.48Å; V230-V247 HydrophobicContact CG2-CG2 3.57Å; V245-V247 HydrophobicContact CG1-CG2 4.46Å; V247-V249 HydrophobicContact CG1-CG2 4.42Å |
| 248 | T | 93.4 | Very high | 83.3 | Confident | 28 Ų | 28 | 52 Ų | 52 | 17% | 0.172 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.1 | 176.4 | -53.9 | 0 | 0 | 0 | 0 | 109.8 | Y152 T153 F154 L225 Y226 E227 | Y152-T248 PolarHBondContact O-N 3.22Å; T153-T248 CarbonylContact C-O 3.44Å; T153-T248 VanDerWaalsContact CA-O 3.25Å; T153-T248 WeakPolarHBondContact CA-O 3.34Å; T153-T248 HydrophobicContact CG2-CG2 4.47Å; F154-T248 PolarHBondContact N-O 2.97Å; L225-T248 HydrophobicContact CD1-CG2 3.35Å; L225-T248 HydrophobicContact CG-CG2 4.17Å; Y226-T248 CarbonylContact O-C 3.54Å; Y226-T248 VanDerWaalsContact O-CA 3.29Å; Y226-T248 WeakPolarHBondContact O-CA 3.27Å; E227-T248 HydrophobicContact CG-CG2 4.12Å |
| 249 | V | 92.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 114 | 174.4 | -175.6 | 0 | 0 | 0 | 0 | 109 | F154 I156 V166 F204 Y226 F228 V247 V251 | F154-V249 HydrophobicContact CB-CG2 4.43Å; F154-V249 HydrophobicContact CD2-CG2 4.29Å; F154-V249 CarbonylContact O-C 3.56Å; F154-V249 WeakPolarHBondContact O-CA 3.16Å; I156-V249 HydrophobicContact CD1-CG1 3.8Å; I156-V249 HydrophobicContact CG1-CG1 4.02Å; V166-V249 HydrophobicContact CG1-CG1 3.88Å; V166-V249 HydrophobicContact CG1-CG2 4Å; F204-V249 HydrophobicContact CE1-CB 4.34Å; F204-V249 HydrophobicContact CE1-CG1 4.03Å; F204-V249 HydrophobicContact CE1-CG2 4.1Å; F204-V249 HydrophobicContact CE2-CG2 4.49Å; F204-V249 HydrophobicContact CZ-CB 3.91Å; F204-V249 HydrophobicContact CZ-CG1 3.87Å; F204-V249 HydrophobicContact CZ-CG2 4Å; Y226-V249 PolarHBondContact N-O 3.29Å; Y226-V249 PolarHBondContact O-N 2.81Å; F228-V249 HydrophobicContact CE1-CG2 3.85Å; F228-V249 HydrophobicContact CZ-CG2 4.15Å; V247-V249 HydrophobicContact CG1-CG2 4.42Å; V249-V251 HydrophobicContact CG1-CG2 4.29Å |
| 250 | Y | 90.7 | Very high | 83.9 | Confident | 83 Ų | 83 | 43.1 Ų | 43.1 | 33% | 0.325 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 124 | 171.5 | -172.5 | -97.4 | 0 | 0 | 0 | 109.7 | F154 E155 I156 D223 L225 K252 | F154-Y250 PolarHBondContact O-N 3.41Å; E155-Y250 WeakPolarHBondContact CA-O 3.48Å; E155-Y250 HydrophobicContact CG-CD1 4.09Å; I156-Y250 PolarHBondContact N-O 2.87Å; D223-Y250 PolarHBondContact OD2-OH 3.09Å; L225-Y250 HydrophobicContact CD1-CD2 4.22Å; Y250-K252 HydrophobicContact CD1-CB 4.39Å; Y250-K252 HydrophobicContact CE1-CB 3.96Å; Y250-K252 HydrophobicContact CE1-CG 4.42Å |
| 251 | V | 88.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 111.1 | 175.3 | -172.9 | 0 | 0 | 0 | 0 | 109 | I156 F218 D223 M224 Y226 V249 | I156-V251 HydrophobicContact CD1-CG2 4.03Å; I156-V251 HydrophobicContact CG1-CB 4.45Å; I156-V251 HydrophobicContact CG1-CG1 4.46Å; I156-V251 HydrophobicContact CG1-CG2 3.86Å; I156-V251 CarbonylContact O-C 3.55Å; I156-V251 VanDerWaalsContact O-CA 3.28Å; I156-V251 WeakPolarHBondContact O-CA 3.48Å; F218-V251 HydrophobicContact CB-CG1 3.66Å; F218-V251 HydrophobicContact CD1-CG1 4.2Å; F218-V251 HydrophobicContact CD1-CG2 3.83Å; F218-V251 HydrophobicContact CD2-CG1 3.95Å; F218-V251 HydrophobicContact CD2-CG2 4.32Å; F218-V251 HydrophobicContact CE1-CG2 3.87Å; F218-V251 HydrophobicContact CE2-CG2 4.37Å; F218-V251 HydrophobicContact CG-CB 4.43Å; F218-V251 HydrophobicContact CG-CG1 3.66Å; F218-V251 HydrophobicContact CG-CG2 4.06Å; F218-V251 HydrophobicContact CZ-CG2 4.15Å; D223-V251 WeakPolarHBondContact CA-O 3.36Å; M224-V251 HydrophobicContact CB-CB 4.21Å; M224-V251 PolarHBondContact N-O 2.83Å; M224-V251 PolarHBondContact O-N 3.39Å; Y226-V251 HydrophobicContact CD2-CG2 3.93Å; Y226-V251 HydrophobicContact CE2-CG2 3.73Å; V249-V251 HydrophobicContact CG1-CG2 4.29Å |
| 252 | K | 82.7 | Confident | 83.8 | Confident | 113 Ų | 113 | 39.3 Ų | 39.3 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 127.9 | 178 | -170.4 | 177.1 | -179.3 | 177.3 | 0 | 110.8 | I156 D157 S158 Y250 T254 | I156-K252 PolarHBondContact O-N 3.03Å; D157-K252 CarbonylContact C-O 3.58Å; S158-K252 WeakPolarHBondContact CB-O 3.43Å; S158-K252 PolarHBondContact N-O 3.18Å; Y250-K252 HydrophobicContact CD1-CB 4.39Å; Y250-K252 HydrophobicContact CE1-CB 3.96Å; Y250-K252 HydrophobicContact CE1-CG 4.42Å; K252-T254 PolarHBondContact O-N 2.82Å |
| 253 | A | 74.3 | Confident | 83.4 | Confident | 29 Ų | 29 | 38.5 Ų | 38.5 | 24% | 0.24 | 23% | 0.225 | C | C | . | . | trans | -64.3 | 123.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | D223 | D223-A253 WeakPolarHBondContact OD1-CB 3.44Å; D223-A253 PolarHBondContact OD1-N 3.17Å | ||
| 254 | T | 70.5 | Confident | 82.8 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 28% | 0.276 | 25% | 0.25 | S | C | . | . | trans | -110.2 | 128.7 | 173.9 | -59.5 | 0 | 0 | 0 | 0 | 109 | S158 L159 N220 K252 V256 | S158-T254 WeakPolarHBondContact OG-CB 2.95Å; S158-T254 PolarHBondContact OG-N 2.91Å; L159-T254 HydrophobicContact CD1-CG2 3.82Å; L159-T254 HydrophobicContact CG-CG2 4.24Å; N220-T254 WeakPolarHBondContact CB-O 3.36Å; N220-T254 VanDerWaalsContact O-O 3.14Å; K252-T254 PolarHBondContact O-N 2.82Å; T254-V256 PolarHBondContact O-N 3.4Å | ||
| 255 | C | 68.5 | Low | 82.3 | Confident | 82 Ų | 82 | 45.4 Ų | 45.4 | 55% | 0.554 | 25% | 0.248 | S | C | * | . | trans | -61.6 | 127.1 | 175.3 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | C286 | C255-C286 VanDerWaalsContact CA-SG 3.55Å; C255-C286 HydrophobicContact CB-CB 3.9Å; C255-C286 WeakPolarHBondContact CB-SG 3.29Å; C255-C286 PolarHBondContact O-SG 3.38Å; C255-C286 VanDerWaalsContact O-SG 3.36Å; C255-C286 VanDerWaalsContact SG-CA 3.52Å; C255-C286 WeakPolarHBondContact SG-CB 3.26Å; C255-C286 CovalentContact SG-SG 2.03Å; C255-C286 PolarHBondContact SG-SG 3.13Å | ||
| 256 | V | 65.9 | Low | 81.7 | Confident | 40 Ų | 40 | 45.3 Ų | 45.3 | 24% | 0.242 | 25% | 0.248 | C | C | . | . | trans | -119.3 | 124.6 | 173.1 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | L159 N220 T254 Q258 C286 | L159-V256 HydrophobicContact CD2-CG2 3.54Å; L159-V256 HydrophobicContact CG-CG2 4.38Å; N220-V256 HydrophobicContact CB-CG2 4.04Å; N220-V256 VanDerWaalsContact ND2-CG2 3.27Å; N220-V256 WeakPolarHBondContact ND2-CG2 3.33Å; T254-V256 PolarHBondContact O-N 3.4Å; V256-Q258 PolarHBondContact O-N 3.32Å; V256-C286 VanDerWaalsContact CA-SG 3.56Å; V256-C286 PolarHBondContact N-SG 3.31Å | ||
| 257 | S | 72.7 | Confident | 80.7 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | trans | -70.3 | 122.7 | 171.8 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | S284 C286 F740 | S257-S284 CarbonylContact C-O 3.56Å; S257-S284 WeakPolarHBondContact CA-O 3.42Å; S257-C286 PolarHBondContact N-SG 2.68Å; S257-C286 PolarHBondContact OG-N 2.97Å; S257-F740 VanDerWaalsContact O-CD1 3.3Å; S257-F740 WeakPolarHBondContact O-CD1 3.19Å; S257-F740 WeakPolarHBondContact O-CE1 3.5Å | ||
| 258 | Q | 75.5 | Confident | 79.5 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 162 | -176.8 | 65.9 | -176.2 | 13.9 | 0 | 0 | 111.8 | V256 N260 S284 | V256-Q258 PolarHBondContact O-N 3.32Å; Q258-N260 PolarHBondContact NE2-OD1 2.9Å; Q258-N260 VanDerWaalsContact NE2-OD1 3.16Å; Q258-S284 PolarHBondContact N-O 3.26Å; Q258-S284 PolarHBondContact O-N 3.39Å |
| 259 | W | 84.1 | Confident | 78 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 128.3 | 164.9 | -72.5 | 101.1 | 0 | 0 | 0 | 110.6 | I262 A281 F283 L329 L695 L699 T726 | W259-I262 HydrophobicContact CB-CD1 3.52Å; W259-I262 HydrophobicContact CB-CG1 4.07Å; W259-I262 HydrophobicContact CD2-CD1 3.76Å; W259-I262 HydrophobicContact CE3-CD1 4Å; W259-I262 HydrophobicContact CG-CD1 3.57Å; W259-A281 HydrophobicContact CE3-CB 4.09Å; W259-A281 HydrophobicContact CZ3-CB 4.19Å; W259-F283 HydrophobicContact CB-CD2 4.49Å; W259-F283 AromaticContact CD1-CD2 3.74Å; W259-F283 AromaticContact CD1-CE2 3.92Å; W259-F283 HydrophobicContact CD2-CB 4.15Å; W259-F283 AromaticContact CD2-CD2 3.55Å; W259-F283 HydrophobicContact CD2-CD2 3.55Å; W259-F283 HydrophobicContact CD2-CE2 4.46Å; W259-F283 HydrophobicContact CD2-CG 4.36Å; W259-F283 AromaticContact CE2-CD2 3.48Å; W259-F283 VanDerWaalsContact CE2-CD2 3.48Å; W259-F283 HydrophobicContact CE3-CB 3.83Å; W259-F283 HydrophobicContact CE3-CD2 4.13Å; W259-F283 AromaticContact CG-CD2 3.71Å; W259-F283 HydrophobicContact CG-CD2 3.71Å; W259-F283 HydrophobicContact CG-CE2 4.27Å; W259-F283 HydrophobicContact CH2-CB 4.04Å; W259-F283 HydrophobicContact CZ2-CB 4.35Å; W259-F283 AromaticContact CZ2-CD2 3.99Å; W259-F283 HydrophobicContact CZ2-CD2 3.99Å; W259-F283 HydrophobicContact CZ3-CB 3.77Å; W259-F283 AromaticContact NE1-CD2 3.58Å; W259-F283 AromaticContact NE1-CE2 3.85Å; W259-L329 HydrophobicContact CZ2-CD1 4.41Å; W259-L329 HydrophobicContact CZ2-CD2 4.43Å; W259-L695 HydrophobicContact CH2-CD2 3.9Å; W259-L695 HydrophobicContact CH2-CG 3.93Å; W259-L695 HydrophobicContact CZ2-CD2 3.73Å; W259-L695 HydrophobicContact CZ2-CG 4.15Å; W259-L699 HydrophobicContact CD2-CD2 3.95Å; W259-L699 HydrophobicContact CE3-CD2 3.82Å; W259-L699 HydrophobicContact CH2-CD2 3.64Å; W259-L699 HydrophobicContact CZ2-CD2 3.77Å; W259-L699 HydrophobicContact CZ3-CD2 3.66Å; W259-T726 PolarHBondContact NE1-OG1 3.14Å |
| 260 | N | 81 | Confident | 76.4 | Confident | 58 Ų | 58 | 48.9 Ų | 48.9 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 151 | 169 | -64.5 | -27.6 | 0 | 0 | 0 | 109.5 | Q258 I262 A281 K282 | Q258-N260 PolarHBondContact NE2-OD1 2.9Å; Q258-N260 VanDerWaalsContact NE2-OD1 3.16Å; N260-I262 VanDerWaalsContact C-N 3.27Å; N260-I262 PolarHBondContact O-N 2.91Å; N260-A281 CarbonylContact O-C 3.58Å; N260-A281 WeakPolarHBondContact O-CA 3.32Å; N260-K282 WeakPolarHBondContact CB-O 3.4Å; N260-K282 PolarHBondContact N-O 3.07Å; N260-K282 PolarHBondContact O-N 2.89Å |
| 261 | G | 82.7 | Confident | 74.8 | Confident | 43 Ų | 43 | 45.2 Ų | 45.2 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 76 | 11.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 262 | I | 85.2 | Confident | 73.5 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 8% | 0.077 | 26% | 0.258 | C | S | . | . | trans | -104.1 | 123.8 | 168.1 | -56.5 | -176.2 | 0 | 0 | 0 | 107.6 | W259 N260 A278 A281 L699 L724 I744 | W259-I262 HydrophobicContact CB-CD1 3.52Å; W259-I262 HydrophobicContact CB-CG1 4.07Å; W259-I262 HydrophobicContact CD2-CD1 3.76Å; W259-I262 HydrophobicContact CE3-CD1 4Å; W259-I262 HydrophobicContact CG-CD1 3.57Å; N260-I262 VanDerWaalsContact C-N 3.27Å; N260-I262 PolarHBondContact O-N 2.91Å; I262-A278 HydrophobicContact CG1-CB 4.31Å; I262-A281 HydrophobicContact CD1-CB 4.08Å; I262-A281 HydrophobicContact CG1-CB 3.74Å; I262-L699 HydrophobicContact CD1-CD2 3.61Å; I262-L724 HydrophobicContact CD1-CD1 3.72Å; I262-L724 HydrophobicContact CG2-CD1 4.31Å; I262-I744 HydrophobicContact CG2-CD1 3.42Å; I262-I744 VanDerWaalsContact CG2-CD1 3.42Å; I262-I744 HydrophobicContact CG2-CG1 3.93Å | ||
| 263 | P | 80.4 | Confident | 72.6 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | trans | -65.6 | 149 | 177.1 | 30.2 | -34.9 | 0 | 0 | 0 | 110.6 | E265 I266 F277 | P263-E265 VanDerWaalsContact C-N 3.28Å; P263-E265 WeakPolarHBondContact CB-O 3.38Å; P263-I266 HydrophobicContact CG-CG2 3.74Å; P263-F277 WeakPolarHBondContact CD-O 3.39Å; P263-F277 WeakPolarHBondContact CG-O 2.95Å | ||
| 264 | K | 77.3 | Confident | 72.5 | Confident | 162 Ų | 162 | 47.3 Ų | 47.3 | 70% | 0.704 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -76.5 | -21.2 | 174.6 | -67.6 | -178.5 | -179.2 | 175.8 | 0 | 112.6 | I744 L745 | K264-I744 CarbonylContact O-C 3.58Å; K264-I744 WeakPolarHBondContact O-CA 3.49Å; K264-L745 PolarHBondContact O-N 3.2Å |
| 265 | E | 81.2 | Confident | 72.8 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 133.8 | -177.9 | -177.7 | 169.5 | 178.7 | 0 | 0 | 107.9 | P263 L745 S747 | P263-E265 VanDerWaalsContact C-N 3.28Å; P263-E265 WeakPolarHBondContact CB-O 3.38Å; E265-L745 CarbonylContact C-O 3.57Å; E265-L745 VanDerWaalsContact CA-O 3.3Å; E265-L745 WeakPolarHBondContact CA-O 3.39Å; E265-L745 HydrophobicContact CB-CB 4.2Å; E265-L745 HydrophobicContact CG-CB 4.04Å; E265-S747 WeakPolarHBondContact OE1-CB 3Å; E265-S747 PolarHBondContact OE1-OG 3Å |
| 266 | I | 80 | Confident | 73.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.3 | 171.6 | 62.8 | 174.1 | 0 | 0 | 0 | 108.1 | P263 Y275 F277 F704 I722 I744 L745 I746 S747 | P263-I266 HydrophobicContact CG-CG2 3.74Å; I266-Y275 HydrophobicContact CB-CD1 4.36Å; I266-Y275 HydrophobicContact CB-CE1 3.94Å; I266-Y275 HydrophobicContact CD1-CD1 4.49Å; I266-Y275 HydrophobicContact CG2-CD1 4.34Å; I266-Y275 HydrophobicContact CG2-CE1 3.67Å; I266-F277 HydrophobicContact CD1-CB 4.5Å; I266-F277 HydrophobicContact CG2-CB 3.74Å; I266-F704 HydrophobicContact CD1-CB 4.19Å; I266-F704 HydrophobicContact CD1-CD1 3.75Å; I266-F704 HydrophobicContact CD1-CE1 4.4Å; I266-F704 HydrophobicContact CD1-CG 4.08Å; I266-I722 HydrophobicContact CD1-CD1 4.05Å; I266-I744 HydrophobicContact CB-CG2 4.48Å; I266-I744 HydrophobicContact CG1-CG2 4.31Å; I266-I744 HydrophobicContact CG2-CG2 3.67Å; I266-L745 PolarHBondContact N-O 2.69Å; I266-I746 HydrophobicContact CD1-CG1 3.95Å; I266-I746 HydrophobicContact CG1-CB 4.31Å; I266-I746 HydrophobicContact CG1-CG1 3.95Å; I266-I746 HydrophobicContact CG1-CG2 4.4Å; I266-S747 PolarHBondContact O-N 2.74Å |
| 267 | E | 73.4 | Confident | 74.2 | Confident | 123 Ų | 123 | 46.7 Ų | 46.7 | 58% | 0.575 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 114.9 | 168.2 | -66.6 | -177.2 | -179.7 | 0 | 0 | 107.6 | S747 L749 | E267-S747 WeakPolarHBondContact CA-O 3.15Å; E267-L749 HydrophobicContact CB-CD1 3.82Å; E267-L749 HydrophobicContact CB-CG 4.1Å |
| 268 | Y | 69.2 | Low | 74.9 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129 | 177.9 | 116.9 | -92.1 | 0 | 0 | 0 | 107.9 | F704 N706 R708 I746 S747 P748 L749 | Y268-F704 HydrophobicContact CG-CE1 4.47Å; Y268-N706 HydrophobicContact CD2-CB 4.49Å; Y268-N706 HydrophobicContact CE2-CB 4.02Å; Y268-N706 PolarHBondContact OH-ND2 3.09Å; Y268-R708 PolarHBondContact OH-O 3.38Å; Y268-I746 HydrophobicContact CD1-CG2 4.2Å; Y268-S747 PolarHBondContact N-O 3.31Å; Y268-P748 HydrophobicContact CD1-CB 4.2Å; Y268-P748 HydrophobicContact CE1-CB 3.78Å; Y268-P748 CarbonylContact O-C 3.47Å; Y268-L749 PolarHBondContact O-N 2.88Å |
| 269 | S | 62.1 | Low | 75.3 | Confident | 28 Ų | 28 | 46 Ų | 46 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 136.3 | 170.1 | 40.8 | 0 | 0 | 0 | 0 | 109.8 | L271 S272 | S269-L271 PolarHBondContact O-N 3.34Å; S269-S272 WeakPolarHBondContact O-CB 3.48Å; S269-S272 PolarHBondContact O-N 3.15Å; S269-S272 PolarHBondContact O-OG 3.48Å; S269-S272 WeakPolarHBondContact OG-CB 3.45Å |
| 270 | A | 58.4 | Low | 75.4 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 135.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | S272 R708 L749 P751 | A270-S272 VanDerWaalsContact C-N 3.27Å; A270-S272 PolarHBondContact O-N 3.25Å; A270-R708 VanDerWaalsContact CA-O 3.25Å; A270-R708 WeakPolarHBondContact CA-O 3.3Å; A270-R708 VanDerWaalsContact CB-O 3.32Å; A270-R708 WeakPolarHBondContact CB-O 3.28Å; A270-L749 PolarHBondContact N-O 3.15Å; A270-P751 HydrophobicContact CB-CB 4.39Å |
| 271 | L | 57.7 | Low | 75.8 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 15.3 | -179.2 | -44.8 | 159.3 | 0 | 0 | 0 | 115.8 | S269 Y370 A374 R708 L709 P751 T755 L756 L759 | S269-L271 PolarHBondContact O-N 3.34Å; L271-Y370 HydrophobicContact CD1-CD1 4.15Å; L271-Y370 HydrophobicContact CD1-CG 3.93Å; L271-Y370 VanDerWaalsContact CD2-O 3.29Å; L271-Y370 WeakPolarHBondContact CD2-O 2.98Å; L271-A374 HydrophobicContact CD2-CB 3.68Å; L271-R708 PolarHBondContact N-O 3.15Å; L271-L709 HydrophobicContact CD2-CD2 4.19Å; L271-P751 HydrophobicContact CD1-CB 4.28Å; L271-T755 HydrophobicContact CB-CG2 3.89Å; L271-L756 HydrophobicContact CD1-CD2 4.15Å; L271-L759 HydrophobicContact CB-CD1 3.58Å; L271-L759 HydrophobicContact CD1-CD1 3.82Å; L271-L759 HydrophobicContact CD2-CD1 4.42Å; L271-L759 HydrophobicContact CG-CD1 4.13Å |
| 272 | S | 60.1 | Low | 75.9 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | trans | -74.1 | 160.2 | 173.5 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | S269 A270 | S269-S272 WeakPolarHBondContact O-CB 3.48Å; S269-S272 PolarHBondContact O-N 3.15Å; S269-S272 PolarHBondContact O-OG 3.48Å; S269-S272 WeakPolarHBondContact OG-CB 3.45Å; A270-S272 VanDerWaalsContact C-N 3.27Å; A270-S272 PolarHBondContact O-N 3.25Å | ||
| 273 | N | 65.1 | Low | 75.7 | Confident | 107 Ų | 107 | 52.3 Ų | 52.3 | 57% | 0.572 | 27% | 0.269 | S | S | * | . | trans | -61.2 | 153.9 | 170.4 | -65.5 | -21.7 | 0 | 0 | 0 | 109.8 | Y275 | N273-Y275 PolarHBondContact O-N 3.25Š| ||
| 274 | P | 72.2 | Confident | 75.4 | Confident | 45 Ų | 45 | 53 Ų | 53 | 29% | 0.292 | 28% | 0.275 | S | S | . | . | trans | -45.1 | 129.3 | 172.7 | -23.9 | 28.7 | 0 | 0 | 0 | 112.3 | P276 T378 T703 Y705 | P274-P276 WeakPolarHBondContact O-CD 3.16Å; P274-T378 HydrophobicContact CG-CG2 4.08Å; P274-T703 HydrophobicContact CB-CG2 3.28Å; P274-Y705 HydrophobicContact CB-CD2 3.94Å; P274-Y705 HydrophobicContact CG-CD2 3.56Å; P274-Y705 HydrophobicContact CG-CE2 3.96Å; P274-Y705 HydrophobicContact CG-CG 4.4Å | ||
| 275 | Y | 75.8 | Confident | 75.2 | Confident | 93 Ų | 93 | 48 Ų | 48 | 37% | 0.365 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -102.1 | 110.4 | -170.9 | -178.5 | -101.5 | 0 | 0 | 0 | 112.3 | I266 N273 F277 T703 F704 | I266-Y275 HydrophobicContact CB-CD1 4.36Å; I266-Y275 HydrophobicContact CB-CE1 3.94Å; I266-Y275 HydrophobicContact CD1-CD1 4.49Å; I266-Y275 HydrophobicContact CG2-CD1 4.34Å; I266-Y275 HydrophobicContact CG2-CE1 3.67Å; N273-Y275 PolarHBondContact O-N 3.25Å; Y275-F277 HydrophobicContact CD1-CB 3.71Å; Y275-F277 VanDerWaalsContact CE1-CA 3.44Å; Y275-F277 HydrophobicContact CE1-CB 3.58Å; Y275-F277 PolarHBondContact O-N 3.39Å; Y275-T703 VanDerWaalsContact N-CG2 3.31Å; Y275-T703 WeakPolarHBondContact O-CA 3.34Å; Y275-T703 WeakPolarHBondContact O-CG2 3.42Å; Y275-F704 PolarHBondContact N-O 2.03Å; Y275-F704 PolarHBondContact O-N 2.93Å |
| 276 | P | 82.1 | Confident | 74.7 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 37% | 0.37 | 24% | 0.243 | S | C | . | . | trans | -76.8 | 85 | 177 | 31.3 | -34.4 | 0 | 0 | 0 | 110.5 | P274 A278 | P274-P276 WeakPolarHBondContact O-CD 3.16Å; P276-A278 PolarHBondContact O-N 3.37Å | ||
| 277 | F | 82.4 | Confident | 73.8 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.9 | -171.7 | 67.3 | -90 | 0 | 0 | 0 | 114.7 | P263 I266 Y275 L657 V702 F704 I722 I744 | P263-F277 WeakPolarHBondContact CD-O 3.39Å; P263-F277 WeakPolarHBondContact CG-O 2.95Å; I266-F277 HydrophobicContact CD1-CB 4.5Å; I266-F277 HydrophobicContact CG2-CB 3.74Å; Y275-F277 HydrophobicContact CD1-CB 3.71Å; Y275-F277 VanDerWaalsContact CE1-CA 3.44Å; Y275-F277 HydrophobicContact CE1-CB 3.58Å; Y275-F277 PolarHBondContact O-N 3.39Å; F277-L657 HydrophobicContact CE1-CD2 3.91Å; F277-L657 HydrophobicContact CZ-CD2 4.39Å; F277-V702 HydrophobicContact CE1-CB 4.28Å; F277-V702 HydrophobicContact CE1-CG1 3.61Å; F277-V702 HydrophobicContact CZ-CB 4.41Å; F277-V702 HydrophobicContact CZ-CG1 3.88Å; F277-F704 HydrophobicContact CD1-CB 3.94Å; F277-F704 HydrophobicContact CE1-CB 4.38Å; F277-I722 HydrophobicContact CD1-CD1 4.08Å; F277-I722 HydrophobicContact CE1-CD1 3.88Å; F277-I722 HydrophobicContact CE2-CD1 4.42Å; F277-I722 HydrophobicContact CG-CD1 4.43Å; F277-I722 HydrophobicContact CZ-CD1 4.07Å; F277-I744 HydrophobicContact CD2-CD1 3.52Å; F277-I744 HydrophobicContact CE2-CD1 3.43Å; F277-I744 VanDerWaalsContact CE2-CD1 3.43Å |
| 278 | A | 86.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 25.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I262 P276 N280 A281 L699 R700 | I262-A278 HydrophobicContact CG1-CB 4.31Å; P276-A278 PolarHBondContact O-N 3.37Å; A278-N280 PolarHBondContact O-N 2.85Å; A278-A281 HydrophobicContact CB-CB 4.05Å; A278-A281 WeakPolarHBondContact O-CB 3.5Å; A278-A281 PolarHBondContact O-N 3.06Å; A278-L699 HydrophobicContact CB-CD1 4Å; A278-L699 HydrophobicContact CB-CG 3.78Å; A278-L699 WeakPolarHBondContact CB-O 2.97Å; A278-R700 WeakPolarHBondContact O-CA 3.36Å; A278-R700 WeakPolarHBondContact O-CG 3.28Å |
| 279 | S | 85.2 | Confident | 72.4 | Confident | 61 Ų | 61 | 54 Ų | 54 | 43% | 0.427 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -26.5 | -176.7 | 54.1 | 0 | 0 | 0 | 0 | 115.1 | R700 | S279-R700 WeakPolarHBondContact O-CD 3.45Å; S279-R700 VanDerWaalsContact O-CG 3.28Å; S279-R700 WeakPolarHBondContact O-CG 3.29Å |
| 280 | N | 85.7 | Confident | 71.8 | Confident | 120 Ų | 120 | 54 Ų | 54 | 64% | 0.642 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 10.8 | 177.7 | -67.1 | -38.9 | 0 | 0 | 0 | 113.7 | A278 K282 | A278-N280 PolarHBondContact O-N 2.85Å; N280-K282 PolarHBondContact O-N 3.11Å |
| 281 | A | 88.2 | Confident | 71.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -57.5 | 128.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W259 N260 I262 A278 L699 R700 | W259-A281 HydrophobicContact CE3-CB 4.09Å; W259-A281 HydrophobicContact CZ3-CB 4.19Å; N260-A281 CarbonylContact O-C 3.58Å; N260-A281 WeakPolarHBondContact O-CA 3.32Å; I262-A281 HydrophobicContact CD1-CB 4.08Å; I262-A281 HydrophobicContact CG1-CB 3.74Å; A278-A281 HydrophobicContact CB-CB 4.05Å; A278-A281 WeakPolarHBondContact O-CB 3.5Å; A278-A281 PolarHBondContact O-N 3.06Å; A281-L699 HydrophobicContact CB-CB 4.47Å; A281-L699 HydrophobicContact CB-CD2 3.93Å; A281-L699 HydrophobicContact CB-CG 4.04Å; A281-R700 HydrophobicContact CB-CG 4.31Å; A281-R700 VanDerWaalsContact O-CZ 3.28Å; A281-R700 PolarHBondContact O-NE 2.9Å; A281-R700 PolarHBondContact O-NH2 3.3Å | ||
| 282 | K | 84.7 | Confident | 71 | Confident | 133 Ų | 133 | 62.5 Ų | 62.5 | 58% | 0.578 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 121.1 | 172.1 | -178.1 | -178.6 | 179.1 | -176.8 | 0 | 108 | N260 N280 | N260-K282 WeakPolarHBondContact CB-O 3.4Å; N260-K282 PolarHBondContact N-O 3.07Å; N260-K282 PolarHBondContact O-N 2.89Å; N280-K282 PolarHBondContact O-N 3.11Å |
| 283 | F | 82.4 | Confident | 70.3 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 129.7 | 173.7 | -162.5 | -89.8 | 0 | 0 | 0 | 110.3 | W259 I285 L692 T726 F728 F740 | W259-F283 HydrophobicContact CB-CD2 4.49Å; W259-F283 AromaticContact CD1-CD2 3.74Å; W259-F283 AromaticContact CD1-CE2 3.92Å; W259-F283 HydrophobicContact CD2-CB 4.15Å; W259-F283 AromaticContact CD2-CD2 3.55Å; W259-F283 HydrophobicContact CD2-CD2 3.55Å; W259-F283 HydrophobicContact CD2-CE2 4.46Å; W259-F283 HydrophobicContact CD2-CG 4.36Å; W259-F283 AromaticContact CE2-CD2 3.48Å; W259-F283 VanDerWaalsContact CE2-CD2 3.48Å; W259-F283 HydrophobicContact CE3-CB 3.83Å; W259-F283 HydrophobicContact CE3-CD2 4.13Å; W259-F283 AromaticContact CG-CD2 3.71Å; W259-F283 HydrophobicContact CG-CD2 3.71Å; W259-F283 HydrophobicContact CG-CE2 4.27Å; W259-F283 HydrophobicContact CH2-CB 4.04Å; W259-F283 HydrophobicContact CZ2-CB 4.35Å; W259-F283 AromaticContact CZ2-CD2 3.99Å; W259-F283 HydrophobicContact CZ2-CD2 3.99Å; W259-F283 HydrophobicContact CZ3-CB 3.77Å; W259-F283 AromaticContact NE1-CD2 3.58Å; W259-F283 AromaticContact NE1-CE2 3.85Å; F283-I285 HydrophobicContact CD1-CB 4.15Å; F283-I285 HydrophobicContact CE1-CB 4.01Å; F283-I285 HydrophobicContact CE1-CG1 4.29Å; F283-L692 HydrophobicContact CB-CD1 3.53Å; F283-L692 HydrophobicContact CB-CD2 3.93Å; F283-L692 HydrophobicContact CB-CG 3.84Å; F283-L692 HydrophobicContact CD1-CD1 3.76Å; F283-L692 HydrophobicContact CD1-CD2 3.74Å; F283-L692 HydrophobicContact CD1-CG 4.28Å; F283-L692 HydrophobicContact CG-CD1 3.74Å; F283-L692 HydrophobicContact CG-CD2 4.25Å; F283-L692 HydrophobicContact CG-CG 4.38Å; F283-T726 HydrophobicContact CE2-CG2 4.34Å; F283-F728 AromaticContact CD1-CZ 3.83Å; F283-F728 HydrophobicContact CD1-CZ 3.83Å; F283-F728 HydrophobicContact CE1-CE1 4.27Å; F283-F728 AromaticContact CE1-CE2 3.8Å; F283-F728 HydrophobicContact CE1-CE2 3.8Å; F283-F728 AromaticContact CE1-CZ 3.29Å; F283-F728 HydrophobicContact CE1-CZ 3.29Å; F283-F728 HydrophobicContact CE2-CE2 4.28Å; F283-F728 HydrophobicContact CE2-CZ 4.19Å; F283-F728 HydrophobicContact CG-CZ 4.47Å; F283-F728 AromaticContact CZ-CE2 3.56Å; F283-F728 HydrophobicContact CZ-CE2 3.56Å; F283-F728 AromaticContact CZ-CZ 3.5Å; F283-F728 HydrophobicContact CZ-CZ 3.5Å; F283-F740 HydrophobicContact CE2-CB 4.45Å; F283-F740 HydrophobicContact CE2-CG 4.46Å; F283-F740 HydrophobicContact CZ-CB 4.46Å; F283-F740 AromaticContact CZ-CD2 3.82Å; F283-F740 HydrophobicContact CZ-CD2 3.82Å; F283-F740 HydrophobicContact CZ-CE2 4.09Å; F283-F740 HydrophobicContact CZ-CG 4Å |
| 284 | S | 74.1 | Confident | 69.3 | Low | 51 Ų | 51 | 64.5 Ų | 64.5 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 118.4 | 170.5 | -171 | 0 | 0 | 0 | 0 | 107.7 | S257 Q258 | S257-S284 CarbonylContact C-O 3.56Å; S257-S284 WeakPolarHBondContact CA-O 3.42Å; Q258-S284 PolarHBondContact N-O 3.26Å; Q258-S284 PolarHBondContact O-N 3.39Å |
| 285 | I | 72.4 | Confident | 67.7 | Low | 57 Ų | 57 | 67.8 Ų | 67.8 | 29% | 0.292 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 133.8 | 176.3 | -162.9 | 169.8 | 0 | 0 | 0 | 109.7 | F283 I324 L692 F728 | F283-I285 HydrophobicContact CD1-CB 4.15Å; F283-I285 HydrophobicContact CE1-CB 4.01Å; F283-I285 HydrophobicContact CE1-CG1 4.29Å; I285-I324 HydrophobicContact CD1-CD1 3.75Å; I285-I324 HydrophobicContact CD1-CG1 4.42Å; I285-L692 HydrophobicContact CB-CD2 4.48Å; I285-L692 HydrophobicContact CG2-CD2 4.41Å; I285-F728 HydrophobicContact CD1-CD1 4.23Å; I285-F728 HydrophobicContact CD1-CE1 3.98Å; I285-F728 HydrophobicContact CD1-CZ 4.44Å |
| 286 | C | 70 | Confident | 65.9 | Low | 10 Ų | 10 | 69.4 Ų | 69.4 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 138.9 | 168.8 | -65.2 | 0 | 0 | 0 | 0 | 109.7 | C255 V256 S257 Q288 | C255-C286 VanDerWaalsContact CA-SG 3.55Å; C255-C286 HydrophobicContact CB-CB 3.9Å; C255-C286 WeakPolarHBondContact CB-SG 3.29Å; C255-C286 PolarHBondContact O-SG 3.38Å; C255-C286 VanDerWaalsContact O-SG 3.36Å; C255-C286 VanDerWaalsContact SG-CA 3.52Å; C255-C286 WeakPolarHBondContact SG-CB 3.26Å; C255-C286 CovalentContact SG-SG 2.03Å; C255-C286 PolarHBondContact SG-SG 3.13Å; V256-C286 VanDerWaalsContact CA-SG 3.56Å; V256-C286 PolarHBondContact N-SG 3.31Å; S257-C286 PolarHBondContact N-SG 2.68Å; S257-C286 PolarHBondContact OG-N 2.97Å; C286-Q288 PolarHBondContact O-N 3.33Å; C286-Q288 VanDerWaalsContact O-N 3.12Å |
| 287 | P | 62.1 | Low | 63.9 | Low | 85 Ų | 85 | 74 Ų | 74 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 119.1 | 176.9 | -11 | 21.8 | 0 | 0 | 0 | 109.9 | Y321 | P287-Y321 HydrophobicContact CB-CD1 3.42Å; P287-Y321 VanDerWaalsContact CB-CD1 3.42Å; P287-Y321 HydrophobicContact CB-CE1 3.09Å; P287-Y321 HydrophobicContact CB-CG 4.42Å; P287-Y321 HydrophobicContact CG-CE1 4.2Å |
| 288 | Q | 58.2 | Low | 61.7 | Low | 67 Ų | 67 | 76.8 Ų | 76.8 | 31% | 0.313 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 118.8 | 173.2 | -65.4 | -61.8 | -43.9 | 0 | 0 | 108.2 | C286 Y321 C322 | C286-Q288 PolarHBondContact O-N 3.33Å; C286-Q288 VanDerWaalsContact O-N 3.12Å; Q288-Y321 WeakPolarHBondContact O-CA 3.16Å; Q288-C322 PolarHBondContact O-N 3.27Å |
| 289 | R | 54.1 | Low | 59.1 | Low | 165 Ų | 165 | 81.4 Ų | 81.4 | 62% | 0.623 | 44% | 0.442 | S | S | * | . | B | Isolated β-bridge | trans | -76.6 | 136.5 | 171.4 | -90.6 | -174.1 | -175.4 | 174.3 | 0.8 | 109.7 | N291 | R289-N291 PolarHBondContact O-N 3.43Å |
| 290 | N | 51.3 | Low | 56.7 | Low | 30 Ų | 30 | 85.3 Ų | 85.3 | 16% | 0.16 | 46% | 0.459 | C | S | . | . | trans | -71.3 | 114.6 | 169.8 | -171.3 | -9 | 0 | 0 | 0 | 110 | N292 F293 D320 | N290-N292 PolarHBondContact O-N 3.16Å; N290-N292 WeakPolarHBondContact OD1-CB 2.83Å; N290-N292 PolarHBondContact OD1-N 3.14Å; N290-F293 HydrophobicContact CB-CD2 4.11Å; N290-F293 PolarHBondContact O-N 3.29Å; N290-D320 PolarHBondContact N-O 3.23Å | ||
| 291 | N | 52.1 | Low | 54.1 | Low | 103 Ų | 103 | 87 Ų | 87 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.6 | -16.9 | 178.4 | -76.1 | -12.5 | 0 | 0 | 0 | 113 | R289 F293 T294 | R289-N291 PolarHBondContact O-N 3.43Å; N291-F293 VanDerWaalsContact C-N 3.31Å; N291-F293 PolarHBondContact O-N 3.04Å; N291-T294 WeakPolarHBondContact CA-OG1 2.99Å; N291-T294 PolarHBondContact O-N 2.82Å; N291-T294 PolarHBondContact O-OG1 2.83Å |
| 292 | N | 47.4 | Very low | 51.8 | Low | 82 Ų | 82 | 95 Ų | 95 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70 | -25.6 | 179.3 | -70.4 | -16.2 | 0 | 0 | 0 | 113 | N290 N295 L296 | N290-N292 PolarHBondContact O-N 3.16Å; N290-N292 WeakPolarHBondContact OD1-CB 2.83Å; N290-N292 PolarHBondContact OD1-N 3.14Å; N292-N295 PolarHBondContact O-N 2.8Å; N292-L296 PolarHBondContact O-N 2.87Å |
| 293 | F | 43.3 | Very low | 49.4 | Very low | 95 Ų | 95 | 95.7 Ų | 95.7 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -75.4 | -28.9 | 174.6 | -80.5 | -82.1 | 0 | 0 | 0 | 113 | N290 N291 N295 L296 I297 | N290-F293 HydrophobicContact CB-CD2 4.11Å; N290-F293 PolarHBondContact O-N 3.29Å; N291-F293 VanDerWaalsContact C-N 3.31Å; N291-F293 PolarHBondContact O-N 3.04Å; F293-N295 PolarHBondContact O-N 3.32Å; F293-L296 HydrophobicContact CD1-CD1 4.46Å; F293-L296 PolarHBondContact O-N 2.84Å; F293-I297 PolarHBondContact O-N 2.83Å |
| 294 | T | 44.6 | Very low | 47.1 | Very low | 89 Ų | 89 | 102.9 Ų | 102.9 | 55% | 0.546 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.9 | -27.6 | 171.3 | 19.2 | 0 | 0 | 0 | 0 | 112.8 | N291 | N291-T294 WeakPolarHBondContact CA-OG1 2.99Å; N291-T294 PolarHBondContact O-N 2.82Å; N291-T294 PolarHBondContact O-OG1 2.83Å |
| 295 | N | 39.8 | Very low | 45.2 | Very low | 114 Ų | 114 | 105.9 Ų | 105.9 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -81.7 | -26.9 | 177.7 | -74.7 | -11.3 | 0 | 0 | 0 | 113.5 | N292 F293 I297 G298 | N292-N295 PolarHBondContact O-N 2.8Å; F293-N295 PolarHBondContact O-N 3.32Å; N295-I297 VanDerWaalsContact C-N 3.28Å; N295-I297 PolarHBondContact O-N 2.68Å; N295-G298 PolarHBondContact O-N 2.92Å |
| 296 | L | 37.3 | Very low | 43.4 | Very low | 126 Ų | 126 | 109.9 Ų | 109.9 | 66% | 0.66 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.7 | -20.3 | 174.3 | -76.3 | 164 | 0 | 0 | 0 | 113.2 | N292 F293 G298 | N292-L296 PolarHBondContact O-N 2.87Å; F293-L296 HydrophobicContact CD1-CD1 4.46Å; F293-L296 PolarHBondContact O-N 2.84Å; L296-G298 VanDerWaalsContact C-N 3.3Å |
| 297 | I | 40.2 | Very low | 41.6 | Very low | 154 Ų | 154 | 113.1 Ų | 113.1 | 79% | 0.79 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -9.9 | 172.4 | -59.8 | 171.7 | 0 | 0 | 0 | 110.9 | F293 N295 | F293-I297 PolarHBondContact O-N 2.83Å; N295-I297 VanDerWaalsContact C-N 3.28Å; N295-I297 PolarHBondContact O-N 2.68Å |
| 298 | G | 37 | Very low | 40 | Very low | 62 Ų | 62 | 116.9 Ų | 116.9 | 64% | 0.639 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -98.1 | 1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | N295 L296 | N295-G298 PolarHBondContact O-N 2.92Å; L296-G298 VanDerWaalsContact C-N 3.3Å |
| 299 | T | 31.2 | Very low | 39.1 | Very low | 97 Ų | 97 | 117.9 Ų | 117.9 | 60% | 0.595 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -115.5 | 108.6 | -178.3 | 55.1 | 0 | 0 | 0 | 0 | 112 | ||
| 300 | D | 33.9 | Very low | 38.2 | Very low | 144 Ų | 144 | 117.5 Ų | 117.5 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | trans | 53.8 | 87.5 | 158.3 | -58.2 | -16.5 | 0 | 0 | 0 | 117.3 | ||||
| 301 | N | 31.3 | Very low | 37.5 | Very low | 154 Ų | 154 | 121.8 Ų | 121.8 | 82% | 0.824 | 70% | 0.696 | S | S | * | * | trans | -152 | 87.2 | 142.6 | -85.1 | -46.9 | 0 | 0 | 0 | 109.4 | D303 | N301-D303 PolarHBondContact O-N 2.89Š| ||
| 302 | D | 39.9 | Very low | 36.8 | Very low | 169 Ų | 169 | 123.9 Ų | 123.9 | 90% | 0.904 | 71% | 0.707 | S | S | * | * | trans | -66.7 | 17.5 | 170.7 | -87.4 | -28.8 | 0 | 0 | 0 | 113.9 | ||||
| 303 | D | 35.1 | Very low | 36.4 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | -132.2 | 49.4 | -170.9 | -86.3 | -28.3 | 0 | 0 | 0 | 113.4 | N301 | N301-D303 PolarHBondContact O-N 2.89Š| ||
| 304 | I | 33.9 | Very low | 36.1 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | trans | -137.9 | 78.7 | 154.1 | -51.9 | -179.9 | 0 | 0 | 0 | 110.5 | D306 | I304-D306 PolarHBondContact O-N 3.01Š| ||
| 305 | S | 33.3 | Very low | 35.8 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -79.9 | 95.1 | 155.2 | 155.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 306 | D | 34.6 | Very low | 35.6 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 171.2 | 119.4 | 136.3 | -108 | -25.7 | 0 | 0 | 0 | 111.9 | I304 K308 | I304-D306 PolarHBondContact O-N 3.01Å; D306-K308 PolarHBondContact O-N 2.96Å |
| 307 | G | 33.3 | Very low | 35.5 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | S | Bend | 70.9 | 21.3 | 125.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||
| 308 | K | 28.7 | Very low | 35.4 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | -140.1 | 79.8 | 166.3 | -72.9 | -168.3 | 178.6 | -173.1 | 0 | 112.7 | D306 | D306-K308 PolarHBondContact O-N 2.96Š| ||
| 309 | A | 37.8 | Very low | 35.6 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | trans | -92.8 | -9.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 310 | D | 36.8 | Very low | 36.5 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -91.6 | -14.3 | -174.1 | -71.6 | -18.1 | 0 | 0 | 0 | 114.6 | ||
| 311 | D | 36 | Very low | 37.6 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 64% | 0.642 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -98.3 | 2.7 | -178.6 | -77.3 | -23.1 | 0 | 0 | 0 | 114.4 | N313 | D311-N313 VanDerWaalsContact C-N 3.34Å; D311-N313 PolarHBondContact O-N 3.26Å |
| 312 | L | 38.1 | Very low | 39.2 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 0.3 | -177.5 | -76.5 | 168.2 | 0 | 0 | 0 | 114.8 | ||
| 313 | N | 38.2 | Very low | 40.6 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 83% | 0.829 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 0.6 | 179.3 | -87.3 | -20.1 | 0 | 0 | 0 | 114.8 | D311 | D311-N313 VanDerWaalsContact C-N 3.34Å; D311-N313 PolarHBondContact O-N 3.26Å |
| 314 | E | 37.6 | Very low | 42.4 | Very low | 183 Ų | 183 | 116.8 Ų | 116.8 | 86% | 0.855 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -113.6 | 15.4 | -173 | -136.4 | 174.6 | -158.4 | 0 | 0 | 116 | ||
| 315 | V | 37 | Very low | 44.5 | Very low | 118 Ų | 118 | 115 Ų | 115 | 72% | 0.715 | 62% | 0.621 | S | S | * | * | trans | -124.1 | 61.5 | 171.9 | -165.4 | 0 | 0 | 0 | 0 | 110.6 | T317 | V315-T317 HydrophobicContact CG1-CG2 3.87Š| ||
| 316 | I | 35.9 | Very low | 46.7 | Very low | 89 Ų | 89 | 112.7 Ų | 112.7 | 46% | 0.456 | 60% | 0.598 | S | S | . | * | trans | -89.2 | 104.5 | 158.7 | -60.3 | 174.9 | 0 | 0 | 0 | 105.2 | D320 Y321 | I316-D320 WeakPolarHBondContact CA-OD2 3.24Å; I316-D320 HydrophobicContact CG2-CB 4.31Å; I316-D320 WeakPolarHBondContact CG2-OD2 3.16Å; I316-Y321 HydrophobicContact CG2-CE2 4.47Å | ||
| 317 | T | 34.9 | Very low | 49 | Very low | 71 Ų | 71 | 105.9 Ų | 105.9 | 44% | 0.436 | 56% | 0.562 | S | S | . | * | trans | -89.8 | 156.5 | 177.8 | 60.1 | 0 | 0 | 0 | 0 | 110.1 | V315 Y319 D320 | V315-T317 HydrophobicContact CG1-CG2 3.87Å; T317-Y319 PolarHBondContact O-N 2.04Å; T317-D320 PolarHBondContact N-OD2 3.31Å; T317-D320 WeakPolarHBondContact O-CB 2.96Å; T317-D320 PolarHBondContact O-N 3.17Å | ||
| 318 | E | 38.7 | Very low | 51.4 | Low | 181 Ų | 181 | 102.6 Ų | 102.6 | 85% | 0.846 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -52.9 | -16.5 | 179.2 | -166.5 | 169.9 | -175.3 | 0 | 0 | 114 | ||
| 319 | Y | 41.9 | Very low | 54.2 | Low | 195 Ų | 195 | 94.8 Ų | 94.8 | 77% | 0.765 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -79.4 | -5.6 | 175.4 | -70.9 | -78.2 | 0 | 0 | 0 | 115.4 | T317 Y321 | T317-Y319 PolarHBondContact O-N 2.04Å; Y319-Y321 PolarHBondContact O-N 3.02Å |
| 320 | D | 48.8 | Very low | 56.4 | Low | 35 Ų | 35 | 97.5 Ų | 97.5 | 19% | 0.187 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -75.5 | -7.4 | -179.9 | -75.8 | -35.8 | 0 | 0 | 0 | 114 | N290 I316 T317 | N290-D320 PolarHBondContact N-O 3.23Å; I316-D320 WeakPolarHBondContact CA-OD2 3.24Å; I316-D320 HydrophobicContact CG2-CB 4.31Å; I316-D320 WeakPolarHBondContact CG2-OD2 3.16Å; T317-D320 PolarHBondContact N-OD2 3.31Å; T317-D320 WeakPolarHBondContact O-CB 2.96Å; T317-D320 PolarHBondContact O-N 3.17Å |
| 321 | Y | 58.7 | Low | 58.7 | Low | 101 Ų | 101 | 90.1 Ų | 90.1 | 40% | 0.396 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -112.8 | 135 | -173.4 | -58.5 | -60.5 | 0 | 0 | 0 | 112.7 | P287 Q288 I316 Y319 P323 | P287-Y321 HydrophobicContact CB-CD1 3.42Å; P287-Y321 VanDerWaalsContact CB-CD1 3.42Å; P287-Y321 HydrophobicContact CB-CE1 3.09Å; P287-Y321 HydrophobicContact CB-CG 4.42Å; P287-Y321 HydrophobicContact CG-CE1 4.2Å; Q288-Y321 WeakPolarHBondContact O-CA 3.16Å; I316-Y321 HydrophobicContact CG2-CE2 4.47Å; Y319-Y321 PolarHBondContact O-N 3.02Å; Y321-P323 VanDerWaalsContact O-CD 3.26Å; Y321-P323 WeakPolarHBondContact O-CD 3.4Å |
| 322 | C | 63 | Low | 61.1 | Low | 22 Ų | 22 | 89.9 Ų | 89.9 | 15% | 0.149 | 44% | 0.437 | C | S | . | . | trans | -64.2 | 115.1 | 175.7 | -76.1 | 0 | 0 | 0 | 0 | 111.6 | Q288 Y730 C734 | Q288-C322 PolarHBondContact O-N 3.27Å; C322-Y730 HydrophobicContact CB-CD1 3.63Å; C322-Y730 HydrophobicContact CB-CE1 4.09Å; C322-Y730 HydrophobicContact CB-CG 4.17Å; C322-C734 VanDerWaalsContact CA-SG 3.58Å; C322-C734 HydrophobicContact CB-CB 3.98Å; C322-C734 WeakPolarHBondContact CB-SG 3.34Å; C322-C734 WeakPolarHBondContact SG-CB 3.49Å; C322-C734 CovalentContact SG-SG 2.04Å; C322-C734 PolarHBondContact SG-SG 2.81Å | ||
| 323 | P | 69.7 | Low | 63.3 | Low | 81 Ų | 81 | 82.9 Ų | 82.9 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | trans | -70.8 | 134.4 | 174.9 | 29.6 | -33.1 | 0 | 0 | 0 | 110.2 | Y321 A731 | Y321-P323 VanDerWaalsContact O-CD 3.26Å; Y321-P323 WeakPolarHBondContact O-CD 3.4Å; P323-A731 HydrophobicContact CG-CB 4.11Å; P323-A731 PolarHBondContact O-N 3.4Å | ||
| 324 | I | 73.5 | Confident | 65.3 | Low | 54 Ų | 54 | 78 Ų | 78 | 28% | 0.277 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 122.8 | 176.3 | -58.2 | 168.8 | 0 | 0 | 0 | 108.3 | I285 V327 F728 Y730 | I285-I324 HydrophobicContact CD1-CD1 3.75Å; I285-I324 HydrophobicContact CD1-CG1 4.42Å; I324-V327 HydrophobicContact CG2-CG2 3.51Å; I324-F728 HydrophobicContact CD1-CD1 3.95Å; I324-F728 HydrophobicContact CD1-CE1 3.99Å; I324-F728 HydrophobicContact CG1-CD1 4.23Å; I324-F728 HydrophobicContact CG2-CD1 4.14Å; I324-Y730 HydrophobicContact CG1-CD1 4.23Å; I324-Y730 HydrophobicContact CG1-CE1 3.87Å |
| 325 | E | 78.7 | Confident | 67 | Low | 121 Ų | 121 | 73.2 Ų | 73.2 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -45.1 | 175.3 | -176 | 177.6 | -173.1 | 0 | 0 | 111 | T729 | E325-T729 PolarHBondContact N-O 3.42Å |
| 326 | Q | 79.8 | Confident | 68.5 | Low | 64 Ų | 64 | 69.2 Ų | 69.2 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 150.7 | 178.5 | 167 | 179.9 | -2.7 | 0 | 0 | 111.1 | Q688 T729 | Q326-Q688 VanDerWaalsContact NE2-CD 3.34Å; Q326-T729 WeakPolarHBondContact CA-OG1 3.06Å; Q326-T729 VanDerWaalsContact CB-OG1 3.27Å; Q326-T729 WeakPolarHBondContact CB-OG1 3.17Å; Q326-T729 PolarHBondContact N-O 3.28Å; Q326-T729 PolarHBondContact N-OG1 3.36Å; Q326-T729 PolarHBondContact O-N 3.2Å; Q326-T729 PolarHBondContact O-OG1 3.29Å; Q326-T729 VanDerWaalsContact O-OG1 3.08Å |
| 327 | V | 82.5 | Confident | 69.4 | Low | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.5 | 173.8 | -165.7 | 0 | 0 | 0 | 0 | 108.9 | I324 T689 L695 T726 L727 F728 | I324-V327 HydrophobicContact CG2-CG2 3.51Å; V327-T689 PolarHBondContact N-O 2.79Å; V327-T689 PolarHBondContact O-N 2.75Å; V327-L695 HydrophobicContact CB-CD2 4.17Å; V327-L695 HydrophobicContact CG1-CD2 3.47Å; V327-L695 VanDerWaalsContact CG1-CD2 3.47Å; V327-T726 HydrophobicContact CG1-CG2 3.74Å; V327-L727 WeakPolarHBondContact CA-O 3.06Å; V327-F728 HydrophobicContact CG1-CD1 4.16Å; V327-F728 HydrophobicContact CG1-CE1 3.89Å; V327-F728 HydrophobicContact CG1-CZ 4.11Å; V327-F728 HydrophobicContact CG2-CD1 3.84Å; V327-F728 HydrophobicContact CG2-CE1 3.81Å |
| 328 | T | 83.3 | Confident | 70 | Confident | 8 Ų | 8 | 75.3 Ų | 75.3 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122 | 175.5 | -58.5 | 0 | 0 | 0 | 0 | 109.5 | R330 I686 I687 Q688 T726 L727 | T328-R330 HydrophobicContact CG2-CG 4.29Å; T328-I686 HydrophobicContact CG2-CG2 3.99Å; T328-I687 CarbonylContact C-O 3.58Å; T328-I687 WeakPolarHBondContact CA-O 3.39Å; T328-Q688 HydrophobicContact CG2-CG 4Å; T328-T726 CarbonylContact O-C 3.54Å; T328-T726 WeakPolarHBondContact O-CA 3.3Å; T328-L727 PolarHBondContact N-O 2.79Å; T328-L727 PolarHBondContact O-N 2.8Å |
| 329 | L | 86.4 | Confident | 69.8 | Low | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.1 | 171.1 | 178.6 | 66.7 | 0 | 0 | 0 | 109.2 | W259 M331 I686 I687 L695 L699 L724 N725 T726 | W259-L329 HydrophobicContact CZ2-CD1 4.41Å; W259-L329 HydrophobicContact CZ2-CD2 4.43Å; L329-M331 HydrophobicContact CD1-CG 4.48Å; L329-M331 HydrophobicContact CD2-CG 4.09Å; L329-M331 HydrophobicContact CD2-SD 4.02Å; L329-M331 HydrophobicContact CG-CG 3.93Å; L329-I686 CarbonylContact O-C 3.59Å; L329-I686 WeakPolarHBondContact O-CA 3.47Å; L329-I687 HydrophobicContact CB-CB 4.4Å; L329-I687 HydrophobicContact CD2-CD1 4.23Å; L329-I687 PolarHBondContact N-O 2.85Å; L329-I687 PolarHBondContact O-N 3.02Å; L329-L695 HydrophobicContact CB-CD1 3.65Å; L329-L695 HydrophobicContact CB-CD2 4.18Å; L329-L695 HydrophobicContact CB-CG 4.37Å; L329-L695 HydrophobicContact CD2-CD1 4.05Å; L329-L695 HydrophobicContact CD2-CG 4.44Å; L329-L699 HydrophobicContact CD2-CB 4.44Å; L329-L699 HydrophobicContact CD2-CD1 4.06Å; L329-L699 HydrophobicContact CD2-CD2 4.09Å; L329-L699 HydrophobicContact CD2-CG 4.43Å; L329-L724 HydrophobicContact CD1-CB 4.36Å; L329-N725 CarbonylContact C-O 3.54Å; L329-N725 WeakPolarHBondContact CA-O 3.24Å; L329-T726 WeakPolarHBondContact CD1-OG1 3.42Å |
| 330 | R | 84.4 | Confident | 69.3 | Low | 144 Ų | 144 | 68.5 Ų | 68.5 | 54% | 0.543 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123 | 170 | -57.3 | -172.8 | 177.7 | -153.9 | 0.4 | 108.4 | T328 I685 I686 L724 N725 | T328-R330 HydrophobicContact CG2-CG 4.29Å; R330-I685 WeakPolarHBondContact CA-O 3.04Å; R330-I686 HydrophobicContact CG-CG1 4.17Å; R330-I686 HydrophobicContact CG-CG2 4.3Å; R330-L724 CarbonylContact O-C 3.08Å; R330-L724 WeakPolarHBondContact O-CA 3.45Å; R330-N725 HydrophobicContact CB-CB 4.35Å; R330-N725 PolarHBondContact N-O 2.83Å; R330-N725 PolarHBondContact O-N 3.42Å |
| 331 | M | 86.6 | Confident | 68.2 | Low | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.4 | 174 | -46.4 | -166.4 | -47.3 | 0 | 0 | 108.7 | L329 L657 S684 I685 L699 V702 Q723 L724 | L329-M331 HydrophobicContact CD1-CG 4.48Å; L329-M331 HydrophobicContact CD2-CG 4.09Å; L329-M331 HydrophobicContact CD2-SD 4.02Å; L329-M331 HydrophobicContact CG-CG 3.93Å; M331-L657 HydrophobicContact CB-CD1 3.96Å; M331-L657 HydrophobicContact CE-CD1 4.03Å; M331-S684 CarbonylContact O-C 3.37Å; M331-S684 WeakPolarHBondContact O-CA 3.47Å; M331-S684 WeakPolarHBondContact O-CB 3.27Å; M331-I685 HydrophobicContact CE-CB 3.96Å; M331-I685 HydrophobicContact CE-CD1 3.79Å; M331-I685 HydrophobicContact CE-CG1 4.3Å; M331-I685 HydrophobicContact CE-CG2 4.31Å; M331-I685 PolarHBondContact N-O 2.97Å; M331-I685 PolarHBondContact O-N 2.78Å; M331-L699 HydrophobicContact SD-CD1 3.5Å; M331-L699 WeakPolarHBondContact SD-CD1 3.07Å; M331-V702 HydrophobicContact CE-CB 4.09Å; M331-V702 HydrophobicContact CE-CG1 3.31Å; M331-V702 HydrophobicContact CE-CG2 3.75Å; M331-V702 HydrophobicContact SD-CG1 4.3Å; M331-V702 HydrophobicContact SD-CG2 4.32Å; M331-Q723 CarbonylContact C-O 3.53Å; M331-Q723 VanDerWaalsContact CA-O 3.24Å; M331-Q723 WeakPolarHBondContact CA-O 3.48Å; M331-L724 HydrophobicContact CB-CD2 3.88Å; M331-L724 HydrophobicContact CG-CD2 3.38Å; M331-L724 HydrophobicContact SD-CD2 3.49Å; M331-L724 WeakPolarHBondContact SD-CD2 3.31Å |
| 332 | K | 85.2 | Confident | 66.8 | Low | 116 Ų | 116 | 73.8 Ų | 73.8 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 134.3 | 179.1 | -176.7 | 175.4 | 179.5 | 178.9 | 0 | 110.7 | N683 I722 Q723 | K332-N683 CarbonylContact C-O 3.52Å; K332-N683 WeakPolarHBondContact CA-O 3.31Å; K332-I722 CarbonylContact O-C 3.58Å; K332-I722 WeakPolarHBondContact O-CA 3.38Å; K332-Q723 PolarHBondContact N-O 2.79Å; K332-Q723 PolarHBondContact O-N 3.47Å |
| 333 | I | 83.7 | Confident | 65 | Low | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 124.7 | 167.2 | -59.7 | 178.4 | 0 | 0 | 0 | 108.2 | W335 P655 L657 N683 F704 P719 | I333-W335 HydrophobicContact CB-CZ2 4.22Å; I333-W335 HydrophobicContact CG2-CD2 4.2Å; I333-W335 HydrophobicContact CG2-CH2 4.27Å; I333-W335 HydrophobicContact CG2-CZ2 3.77Å; I333-W335 PolarHBondContact O-NE1 3.43Å; I333-P655 WeakPolarHBondContact CD1-O 3.44Å; I333-L657 HydrophobicContact CD1-CG 4.18Å; I333-L657 HydrophobicContact CG1-CD1 4.11Å; I333-L657 HydrophobicContact CG1-CG 4.05Å; I333-N683 PolarHBondContact N-O 2.96Å; I333-F704 HydrophobicContact CD1-CD2 4.42Å; I333-F704 HydrophobicContact CD1-CE2 4.03Å; I333-P719 HydrophobicContact CG2-CB 3.5Å; I333-P719 VanDerWaalsContact CG2-CB 3.5Å |
| 334 | L | 80.3 | Confident | 63 | Low | 54 Ų | 54 | 81.9 Ų | 81.9 | 28% | 0.283 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 133.5 | 171.3 | -59.9 | -174.5 | 0 | 0 | 0 | 109.1 | P719 V720 A721 Q723 | L334-P719 CarbonylContact O-C 3.5Å; L334-P719 WeakPolarHBondContact O-CA 3.26Å; L334-V720 PolarHBondContact O-N 2.66Å; L334-A721 HydrophobicContact CB-CB 4.18Å; L334-A721 HydrophobicContact CD1-CB 4.18Å; L334-A721 HydrophobicContact CG-CB 4.49Å; L334-A721 PolarHBondContact N-O 2.65Å; L334-A721 PolarHBondContact O-N 2.84Å; L334-Q723 HydrophobicContact CD1-CB 4.01Å; L334-Q723 HydrophobicContact CD2-CB 4.19Å; L334-Q723 HydrophobicContact CG-CB 3.98Å |
| 335 | W | 74.2 | Confident | 61 | Low | 81 Ų | 81 | 86.5 Ų | 86.5 | 31% | 0.307 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 150.5 | -175.1 | -57.4 | 92 | 0 | 0 | 0 | 110.8 | I333 K337 P655 N683 P717 E718 P719 | I333-W335 HydrophobicContact CB-CZ2 4.22Å; I333-W335 HydrophobicContact CG2-CD2 4.2Å; I333-W335 HydrophobicContact CG2-CH2 4.27Å; I333-W335 HydrophobicContact CG2-CZ2 3.77Å; I333-W335 PolarHBondContact O-NE1 3.43Å; W335-K337 PolarHBondContact O-N 2.91Å; W335-P655 HydrophobicContact CH2-CB 3.86Å; W335-P655 HydrophobicContact CH2-CG 3.7Å; W335-P655 HydrophobicContact CZ3-CB 4.31Å; W335-P655 HydrophobicContact CZ3-CG 3.82Å; W335-N683 HydrophobicContact CZ2-CB 4.37Å; W335-P717 HydrophobicContact CB-CB 4.18Å; W335-P717 HydrophobicContact CE3-CB 4.13Å; W335-P717 HydrophobicContact CE3-CG 4.3Å; W335-E718 CarbonylContact C-O 3.48Å; W335-E718 VanDerWaalsContact CA-O 3.27Å; W335-E718 WeakPolarHBondContact CA-O 3.4Å; W335-P719 HydrophobicContact CE3-CB 4.42Å; W335-P719 HydrophobicContact CZ3-CB 4.27Å |
| 336 | S | 67.2 | Low | 58.7 | Low | 34 Ų | 34 | 89.7 Ų | 89.7 | 24% | 0.238 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 129.6 | 167 | 59.9 | 0 | 0 | 0 | 0 | 108.8 | E338 E718 | S336-E338 PolarHBondContact O-N 3.03Å; S336-E718 PolarHBondContact N-O 3.07Å; S336-E718 PolarHBondContact OG-N 3.04Å |
| 337 | K | 56.7 | Low | 56.3 | Low | 194 Ų | 194 | 92.5 Ų | 92.5 | 84% | 0.843 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 133.6 | 169.2 | -161.7 | 175.1 | -177.3 | -178.6 | 0 | 107.8 | W335 D339 | W335-K337 PolarHBondContact O-N 2.91Å; K337-D339 PolarHBondContact O-N 2.99Å; K337-D339 VanDerWaalsContact O-N 3.14Å |
| 338 | E | 47.3 | Very low | 53.7 | Low | 94 Ų | 94 | 99.9 Ų | 99.9 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 119.7 | -179 | -68.1 | 170.9 | 178.9 | 0 | 0 | 110.2 | S336 I340 S361 | S336-E338 PolarHBondContact O-N 3.03Å; E338-I340 HydrophobicContact CB-CD1 4.45Å; E338-I340 HydrophobicContact CB-CG1 3.8Å; E338-I340 PolarHBondContact O-N 3.09Å; E338-S361 WeakPolarHBondContact OE1-CB 3.48Å; E338-S361 PolarHBondContact OE1-OG 3.42Å |
| 339 | D | 33.5 | Very low | 51 | Low | 118 Ų | 118 | 108.1 Ų | 108.1 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | trans | -69.6 | 75.9 | 162.3 | -67.8 | -42.6 | 0 | 0 | 0 | 107 | K337 I341 K712 | K337-D339 PolarHBondContact O-N 2.99Å; K337-D339 VanDerWaalsContact O-N 3.14Å; D339-I341 HydrophobicContact CB-CG1 4.4Å; D339-I341 PolarHBondContact O-N 2.95Å; D339-K712 IonicContact OD2-NZ 2.68Å | ||
| 340 | I | 31.1 | Very low | 48.2 | Very low | 116 Ų | 116 | 114.1 Ų | 114.1 | 60% | 0.595 | 58% | 0.575 | S | S | * | * | trans | -70.7 | 72.7 | 165.6 | -51.4 | 175.4 | 0 | 0 | 0 | 106.4 | E338 N342 | E338-I340 HydrophobicContact CB-CD1 4.45Å; E338-I340 HydrophobicContact CB-CG1 3.8Å; E338-I340 PolarHBondContact O-N 3.09Å; I340-N342 PolarHBondContact O-N 2.99Å | ||
| 341 | I | 26.9 | Very low | 45.3 | Very low | 125 Ų | 125 | 112.5 Ų | 112.5 | 64% | 0.641 | 59% | 0.586 | S | S | * | * | trans | -81.6 | 85.4 | 160.7 | -56.4 | 175 | 0 | 0 | 0 | 104.6 | D339 N343 | D339-I341 HydrophobicContact CB-CG1 4.4Å; D339-I341 PolarHBondContact O-N 2.95Å; I341-N343 WeakPolarHBondContact CG2-OD1 3.36Å; I341-N343 PolarHBondContact O-N 3.03Å | ||
| 342 | N | 28.1 | Very low | 42.5 | Very low | 121 Ų | 121 | 118 Ų | 118 | 65% | 0.647 | 62% | 0.622 | S | S | * | * | trans | -61.4 | 97.2 | 156 | -80.1 | -7 | 0 | 0 | 0 | 106 | I340 D344 | I340-N342 PolarHBondContact O-N 2.99Å; N342-D344 PolarHBondContact O-N 2.98Å | ||
| 343 | N | 26.9 | Very low | 39.7 | Very low | 134 Ų | 134 | 117.7 Ų | 117.7 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | trans | -68.4 | 78.5 | 158.5 | -85.7 | -15.8 | 0 | 0 | 0 | 106.9 | I341 D345 | I341-N343 WeakPolarHBondContact CG2-OD1 3.36Å; I341-N343 PolarHBondContact O-N 3.03Å; N343-D345 PolarHBondContact O-N 3Å | ||
| 344 | D | 27.6 | Very low | 37 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | trans | -68.2 | 73.4 | 159.1 | -79.9 | -30.7 | 0 | 0 | 0 | 107.5 | N342 | N342-D344 PolarHBondContact O-N 2.98Š| ||
| 345 | D | 30.8 | Very low | 34.4 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | trans | -161.7 | 50.1 | 172.5 | -109.1 | -10.8 | 0 | 0 | 0 | 111.7 | N343 | N343-D345 PolarHBondContact O-N 3Š| ||
| 346 | Q | 30.3 | Very low | 32.1 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | trans | -150.2 | 92.8 | 149.2 | -70.6 | -154.2 | -4.5 | 0 | 0 | 111.6 | ||||
| 347 | T | 29 | Very low | 30.1 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 9.1 | 124.7 | 142.7 | 52.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 348 | N | 28.1 | Very low | 28.7 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | 59.6 | 81.8 | 140.1 | -62.6 | -19.7 | 0 | 0 | 0 | 119.6 | ||||
| 349 | Q | 26.3 | Very low | 27.6 | Very low | 180 Ų | 180 | 129.3 Ų | 129.3 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | -164.9 | 130.7 | 126.1 | -106.4 | 177.9 | 2.9 | 0 | 0 | 109 | S351 | Q349-S351 PolarHBondContact O-N 3.16Å; Q349-S351 VanDerWaalsContact O-N 3.11Å | |||
| 350 | P | 27.7 | Very low | 27.3 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -79.2 | 100.8 | -173.7 | 30.6 | -30.7 | 0 | 0 | 0 | 110.1 | P352 | P350-P352 WeakPolarHBondContact O-CD 3.3Š| ||
| 351 | S | 24.1 | Very low | 27.5 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -78.5 | 116.2 | 160 | -37.7 | 0 | 0 | 0 | 0 | 108 | Q349 | Q349-S351 PolarHBondContact O-N 3.16Å; Q349-S351 VanDerWaalsContact O-N 3.11Å | ||
| 352 | P | 27.9 | Very low | 28.1 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -77.2 | 143.5 | 174.8 | 29.7 | -27.3 | 0 | 0 | 0 | 109.9 | P350 | P350-P352 WeakPolarHBondContact O-CD 3.3Š|
| 353 | S | 26.4 | Very low | 29 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | 98.5 | 50.4 | 176.3 | 76 | 0 | 0 | 0 | 0 | 118.2 | S355 | S353-S355 VanDerWaalsContact C-N 3.29Å; S353-S355 PolarHBondContact O-N 3.22Å | ||
| 354 | L | 27.1 | Very low | 30.5 | Very low | 178 Ų | 178 | 120.6 Ų | 120.6 | 93% | 0.932 | 73% | 0.725 | S | S | * | * | trans | -84.3 | 69.2 | 157.6 | -144.9 | 88.4 | 0 | 0 | 0 | 110.1 | ||||
| 355 | S | 26.5 | Very low | 32.4 | Very low | 109 Ų | 109 | 115 Ų | 115 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | -141.8 | 29.1 | 172.4 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | S353 | S353-S355 VanDerWaalsContact C-N 3.29Å; S353-S355 PolarHBondContact O-N 3.22Å | ||
| 356 | A | 25.1 | Very low | 34 | Very low | 75 Ų | 75 | 108.6 Ų | 108.6 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | trans | -125 | 22 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T358 T359 | A356-T358 VanDerWaalsContact C-N 3.3Å; A356-T358 PolarHBondContact O-N 3.4Å; A356-T359 PolarHBondContact O-OG1 3.17Å | ||
| 357 | A | 25.8 | Very low | 36.1 | Very low | 102 Ų | 102 | 100.1 Ų | 100.1 | 84% | 0.843 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 24.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 358 | T | 25.9 | Very low | 38 | Very low | 137 Ų | 137 | 95 Ų | 95 | 84% | 0.84 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 9.8 | 172.7 | 34.3 | 0 | 0 | 0 | 0 | 113.8 | A356 | A356-T358 VanDerWaalsContact C-N 3.3Å; A356-T358 PolarHBondContact O-N 3.4Å |
| 359 | T | 24.8 | Very low | 39.9 | Very low | 101 Ų | 101 | 89.2 Ų | 89.2 | 62% | 0.62 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -111.4 | 104.2 | 177.9 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | A356 | A356-T359 PolarHBondContact O-OG1 3.17Š|
| 360 | T | 27.9 | Very low | 42 | Very low | 107 Ų | 107 | 81.4 Ų | 81.4 | 66% | 0.656 | 52% | 0.521 | S | S | * | . | trans | 47.8 | 73.1 | 152.4 | 55.2 | 0 | 0 | 0 | 0 | 116.8 | S362 | T360-S362 PolarHBondContact O-N 3.49Š| ||
| 361 | S | 34 | Very low | 44.2 | Very low | 68 Ų | 68 | 75.5 Ų | 75.5 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 22.4 | 169 | 51.6 | 0 | 0 | 0 | 0 | 114.8 | E338 | E338-S361 WeakPolarHBondContact OE1-CB 3.48Å; E338-S361 PolarHBondContact OE1-OG 3.42Å |
| 362 | S | 39.6 | Very low | 46.7 | Very low | 67 Ų | 67 | 70.8 Ų | 70.8 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -6.7 | -168.8 | 58.3 | 0 | 0 | 0 | 0 | 116.3 | T360 | T360-S362 PolarHBondContact O-N 3.49Š|
| 363 | S | 46.7 | Very low | 48.9 | Very low | 70 Ų | 70 | 65.3 Ų | 65.3 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | trans | -129.3 | 29.1 | -157.9 | 66 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 364 | E | 59.1 | Low | 51.1 | Low | 118 Ų | 118 | 60.4 Ų | 60.4 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | trans | -108.4 | 124.3 | 177.5 | -139.5 | 172.2 | -173.1 | 0 | 0 | 111.7 | ||||
| 365 | C | 68 | Low | 53.5 | Low | 23 Ų | 23 | 52.2 Ų | 52.2 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | trans | -69.6 | 145.2 | 174.6 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | L367 W462 C653 | C365-L367 HydrophobicContact CB-CD2 3.89Å; C365-L367 HydrophobicContact CB-CG 4.43Å; C365-L367 PolarHBondContact O-N 2.86Å; C365-W462 HydrophobicContact CB-CH2 4.16Å; C365-W462 HydrophobicContact CB-CZ3 4.4Å; C365-W462 WeakPolarHBondContact SG-CH2 2.99Å; C365-C653 WeakPolarHBondContact CA-SG 3.26Å; C365-C653 HydrophobicContact CB-CB 3.63Å; C365-C653 WeakPolarHBondContact CB-SG 3.37Å; C365-C653 WeakPolarHBondContact SG-CB 3.4Å; C365-C653 CovalentContact SG-SG 2Å; C365-C653 PolarHBondContact SG-SG 2.81Å | ||
| 366 | D | 64.7 | Low | 56 | Low | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.08 | 31% | 0.305 | C | S | . | . | trans | -78.7 | 107.9 | 165.6 | -51.7 | -21.2 | 0 | 0 | 0 | 108 | D368 S371 R708 L709 P713 R716 | D366-D368 PolarHBondContact O-N 3.16Å; D366-S371 WeakPolarHBondContact O-CB 3.32Å; D366-R708 WeakPolarHBondContact OD2-CD 3.25Å; D366-R708 VanDerWaalsContact OD2-CG 3.28Å; D366-R708 WeakPolarHBondContact OD2-CG 3.39Å; D366-R708 IonicContact OD2-NE 2.78Å; D366-L709 HydrophobicContact CB-CD1 3.4Å; D366-L709 HydrophobicContact CB-CG 4.46Å; D366-P713 WeakPolarHBondContact OD1-CG 3.44Å; D366-R716 VanDerWaalsContact OD1-CD 3.31Å; D366-R716 WeakPolarHBondContact OD1-CD 3.29Å; D366-R716 IonicContact OD1-CZ 2.69Å; D366-R716 IonicContact OD1-NE 3.97Å; D366-R716 IonicContact OD1-NH1 3.55Å; D366-R716 PolarHBondContact OD1-NH1 3.27Å; D366-R716 IonicContact OD2-CZ 2.78Å; D366-R716 IonicContact OD2-NH1 2.69Å; D366-R716 PolarHBondContact OD2-NH1 3.19Å | ||
| 367 | L | 73.3 | Confident | 58.5 | Low | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | trans | -87.9 | 22.3 | -176.3 | -60.8 | 179.1 | 0 | 0 | 0 | 113.4 | C365 L372 I429 W462 W542 A632 | C365-L367 HydrophobicContact CB-CD2 3.89Å; C365-L367 HydrophobicContact CB-CG 4.43Å; C365-L367 PolarHBondContact O-N 2.86Å; L367-L372 HydrophobicContact CD2-CD2 4.29Å; L367-L372 WeakPolarHBondContact O-CD1 3.32Å; L367-I429 HydrophobicContact CB-CD1 4.02Å; L367-I429 HydrophobicContact CB-CG1 4Å; L367-W462 HydrophobicContact CD1-CB 4.16Å; L367-W462 HydrophobicContact CD1-CD2 4.45Å; L367-W462 HydrophobicContact CD1-CE3 4.46Å; L367-W462 HydrophobicContact CD1-CG 4.34Å; L367-W462 HydrophobicContact CD2-CB 4.28Å; L367-W462 HydrophobicContact CD2-CD2 3.38Å; L367-W462 HydrophobicContact CD2-CE3 3.79Å; L367-W462 HydrophobicContact CD2-CG 3.6Å; L367-W462 HydrophobicContact CD2-CZ2 4.24Å; L367-W462 HydrophobicContact CD2-CZ3 4.37Å; L367-W542 HydrophobicContact CD1-CD2 3.3Å; L367-W542 HydrophobicContact CD1-CE3 3.35Å; L367-W542 HydrophobicContact CD1-CG 3.9Å; L367-W542 HydrophobicContact CD1-CH2 3.75Å; L367-W542 HydrophobicContact CD1-CZ2 3.73Å; L367-W542 HydrophobicContact CD1-CZ3 3.57Å; L367-A632 HydrophobicContact CB-CB 4.26Å; L367-A632 HydrophobicContact CD1-CB 4.38Å | ||
| 368 | D | 69.4 | Low | 60.9 | Low | 16 Ų | 16 | 45.3 Ų | 45.3 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -71.1 | 165.5 | -180 | 87.9 | 108.4 | 0 | 0 | 0 | 112.6 | D366 Y370 S371 L372 I410 S427 L709 | D366-D368 PolarHBondContact O-N 3.16Å; D368-Y370 VanDerWaalsContact C-N 3.34Å; D368-Y370 PolarHBondContact O-N 2.83Å; D368-Y370 PolarHBondContact OD1-N 2.82Å; D368-S371 PolarHBondContact O-N 3.06Å; D368-S371 PolarHBondContact OD1-N 3.37Å; D368-S371 WeakPolarHBondContact OD2-CB 3Å; D368-S371 PolarHBondContact OD2-N 2.99Å; D368-S371 PolarHBondContact OD2-OG 3.29Å; D368-L372 WeakPolarHBondContact O-CB 3.37Å; D368-L372 WeakPolarHBondContact O-CG 3.43Å; D368-L372 PolarHBondContact O-N 3.49Å; D368-L372 VanDerWaalsContact O-N 3.14Å; D368-I410 HydrophobicContact CB-CD1 4.17Å; D368-S427 CarbonylContact C-O 3.53Å; D368-S427 WeakPolarHBondContact CA-O 3.43Å; D368-L709 HydrophobicContact CB-CD1 3.96Å; D368-L709 WeakPolarHBondContact OD1-CD2 3.49Å; D368-L709 WeakPolarHBondContact OD2-CD1 3.04Å; D368-L709 WeakPolarHBondContact OD2-CD2 3.39Å; D368-L709 VanDerWaalsContact OD2-CG 3.24Å; D368-L709 WeakPolarHBondContact OD2-CG 3.22Å |
| 369 | Y | 68.5 | Low | 63.4 | Low | 35 Ų | 35 | 39.3 Ų | 39.3 | 14% | 0.137 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52.3 | -46.7 | 179.1 | 173.9 | -95.9 | 0 | 0 | 0 | 113.5 | L373 P426 S427 N428 D760 N763 | Y369-L373 HydrophobicContact CD1-CD1 3.89Å; Y369-L373 HydrophobicContact CD2-CD1 4.43Å; Y369-L373 HydrophobicContact CE1-CD1 3.32Å; Y369-L373 HydrophobicContact CE1-CG 4.48Å; Y369-L373 HydrophobicContact CE2-CD1 3.91Å; Y369-L373 HydrophobicContact CG-CD1 4.42Å; Y369-L373 VanDerWaalsContact O-CG 3.31Å; Y369-L373 WeakPolarHBondContact O-CG 3.41Å; Y369-L373 PolarHBondContact O-N 3.41Å; Y369-L373 VanDerWaalsContact O-N 3.14Å; Y369-P426 VanDerWaalsContact CB-O 3.3Å; Y369-P426 WeakPolarHBondContact CB-O 3.5Å; Y369-S427 PolarHBondContact N-O 2.81Å; Y369-N428 VanDerWaalsContact CD2-ND2 3.29Å; Y369-N428 WeakPolarHBondContact CD2-ND2 3.41Å; Y369-N428 WeakPolarHBondContact CD2-OD1 3.14Å; Y369-D760 PolarHBondContact OH-OD1 3.14Å; Y369-N763 PolarHBondContact OH-ND2 2.81Å |
| 370 | Y | 69.9 | Low | 65.9 | Low | 15 Ų | 15 | 35 Ų | 35 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -79.1 | -33.5 | -174 | -69.2 | -68.4 | 0 | 0 | 0 | 112.9 | L271 D368 L373 A374 Y425 L756 L759 | L271-Y370 HydrophobicContact CD1-CD1 4.15Å; L271-Y370 HydrophobicContact CD1-CG 3.93Å; L271-Y370 VanDerWaalsContact CD2-O 3.29Å; L271-Y370 WeakPolarHBondContact CD2-O 2.98Å; D368-Y370 VanDerWaalsContact C-N 3.34Å; D368-Y370 PolarHBondContact O-N 2.83Å; D368-Y370 PolarHBondContact OD1-N 2.82Å; Y370-L373 PolarHBondContact O-N 2.83Å; Y370-A374 WeakPolarHBondContact O-CB 3.4Å; Y370-A374 PolarHBondContact O-N 3.48Å; Y370-Y425 AromaticContact CE2-CD1 3.79Å; Y370-Y425 HydrophobicContact CE2-CD1 3.79Å; Y370-Y425 HydrophobicContact CE2-CE1 4.3Å; Y370-L756 HydrophobicContact CD1-CD2 4.36Å; Y370-L756 HydrophobicContact CE1-CD2 3.86Å; Y370-L756 HydrophobicContact CE2-CD2 4.14Å; Y370-L759 HydrophobicContact CD1-CB 4.49Å |
| 371 | S | 73.5 | Confident | 67.8 | Low | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 175.4 | -65.3 | 0 | 0 | 0 | 0 | 110.6 | D366 D368 L373 A374 N375 L709 | D366-S371 WeakPolarHBondContact O-CB 3.32Å; D368-S371 PolarHBondContact O-N 3.06Å; D368-S371 PolarHBondContact OD1-N 3.37Å; D368-S371 WeakPolarHBondContact OD2-CB 3Å; D368-S371 PolarHBondContact OD2-N 2.99Å; D368-S371 PolarHBondContact OD2-OG 3.29Å; S371-L373 VanDerWaalsContact C-N 3.28Å; S371-L373 PolarHBondContact O-N 3.29Å; S371-A374 PolarHBondContact O-N 2.56Å; S371-N375 WeakPolarHBondContact O-CB 3.31Å; S371-N375 PolarHBondContact O-N 3.07Å; S371-L709 WeakPolarHBondContact OG-CD1 3.23Å; S371-L709 WeakPolarHBondContact OG-CD2 3.22Å; S371-L709 WeakPolarHBondContact OG-CG 3.14Å |
| 372 | L | 76.6 | Confident | 68.9 | Low | 11 Ų | 11 | 38.1 Ų | 38.1 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 177.2 | -68.4 | 175.6 | 0 | 0 | 0 | 110.6 | L367 D368 R376 N428 A632 | L367-L372 HydrophobicContact CD2-CD2 4.29Å; L367-L372 WeakPolarHBondContact O-CD1 3.32Å; D368-L372 WeakPolarHBondContact O-CB 3.37Å; D368-L372 WeakPolarHBondContact O-CG 3.43Å; D368-L372 PolarHBondContact O-N 3.49Å; D368-L372 VanDerWaalsContact O-N 3.14Å; L372-R376 WeakPolarHBondContact O-CG 3.32Å; L372-R376 PolarHBondContact O-N 2.97Å; L372-N428 HydrophobicContact CD1-CB 4.42Å; L372-A632 HydrophobicContact CD1-CB 4.46Å |
| 373 | L | 73.9 | Confident | 69.5 | Low | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.7 | -42.6 | 175.4 | -74.8 | -179.5 | 0 | 0 | 0 | 113.5 | Y369 Y370 S371 R376 K377 L759 W762 N763 | Y369-L373 HydrophobicContact CD1-CD1 3.89Å; Y369-L373 HydrophobicContact CD2-CD1 4.43Å; Y369-L373 HydrophobicContact CE1-CD1 3.32Å; Y369-L373 HydrophobicContact CE1-CG 4.48Å; Y369-L373 HydrophobicContact CE2-CD1 3.91Å; Y369-L373 HydrophobicContact CG-CD1 4.42Å; Y369-L373 VanDerWaalsContact O-CG 3.31Å; Y369-L373 WeakPolarHBondContact O-CG 3.41Å; Y369-L373 PolarHBondContact O-N 3.41Å; Y369-L373 VanDerWaalsContact O-N 3.14Å; Y370-L373 PolarHBondContact O-N 2.83Å; S371-L373 VanDerWaalsContact C-N 3.28Å; S371-L373 PolarHBondContact O-N 3.29Å; L373-R376 PolarHBondContact O-N 2.58Å; L373-K377 WeakPolarHBondContact O-CB 3.25Å; L373-K377 PolarHBondContact O-N 2.88Å; L373-L759 HydrophobicContact CB-CD2 3.82Å; L373-W762 HydrophobicContact CD2-CE3 4.28Å; L373-W762 HydrophobicContact CD2-CZ3 3.95Å; L373-N763 HydrophobicContact CD1-CB 4.35Å; L373-N763 HydrophobicContact CD2-CB 4.22Å |
| 374 | A | 73.6 | Confident | 70.1 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L271 Y370 S371 K377 T378 L759 | L271-A374 HydrophobicContact CD2-CB 3.68Å; Y370-A374 WeakPolarHBondContact O-CB 3.4Å; Y370-A374 PolarHBondContact O-N 3.48Å; S371-A374 PolarHBondContact O-N 2.56Å; A374-K377 PolarHBondContact O-N 3.3Å; A374-T378 PolarHBondContact O-N 3.44Å; A374-T378 PolarHBondContact O-OG1 3.28Å; A374-L759 HydrophobicContact CB-CD2 4.32Å |
| 375 | N | 77.8 | Confident | 69.8 | Low | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.1 | -48.9 | 173.8 | -81 | -21.2 | 0 | 0 | 0 | 111.6 | S371 K377 T378 C379 Y705 P707 | S371-N375 WeakPolarHBondContact O-CB 3.31Å; S371-N375 PolarHBondContact O-N 3.07Å; N375-K377 VanDerWaalsContact C-N 3.35Å; N375-K377 PolarHBondContact O-N 2.78Å; N375-T378 PolarHBondContact O-N 3.42Å; N375-C379 WeakPolarHBondContact O-CB 2.92Å; N375-C379 PolarHBondContact O-N 2.99Å; N375-C379 PolarHBondContact O-SG 3.49Å; N375-Y705 PolarHBondContact OD1-OH 3.31Å; N375-Y705 VanDerWaalsContact OD1-OH 3.09Å; N375-P707 WeakPolarHBondContact OD1-CB 3.37Å; N375-P707 WeakPolarHBondContact OD1-CG 3.21Å |
| 376 | R | 79 | Confident | 70 | Confident | 25 Ų | 25 | 40.2 Ų | 40.2 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.1 | -66.3 | 173.8 | -148.4 | 173.6 | 2.2 | 112 | L372 L373 T378 C379 I380 D389 L650 W762 | L372-R376 WeakPolarHBondContact O-CG 3.32Å; L372-R376 PolarHBondContact O-N 2.97Å; L373-R376 PolarHBondContact O-N 2.58Å; R376-T378 VanDerWaalsContact C-N 3.3Å; R376-T378 PolarHBondContact O-N 3.33Å; R376-C379 PolarHBondContact O-N 3.03Å; R376-I380 HydrophobicContact CB-CD1 4.14Å; R376-I380 HydrophobicContact CG-CD1 4.32Å; R376-I380 WeakPolarHBondContact O-CB 3.14Å; R376-I380 WeakPolarHBondContact O-CG1 3.47Å; R376-I380 PolarHBondContact O-N 2.97Å; R376-D389 IonicContact CZ-OD2 3.72Å; R376-D389 IonicContact NH1-OD2 2.96Å; R376-D389 PolarHBondContact NH1-OD2 3.24Å; R376-D389 IonicContact NH2-OD2 3.02Å; R376-L650 HydrophobicContact CB-CD2 4.49Å; R376-L650 HydrophobicContact CG-CD2 4.01Å; R376-W762 HydrophobicContact CB-CH2 3.54Å; R376-W762 HydrophobicContact CB-CZ3 4.03Å |
| 377 | K | 76.8 | Confident | 70.6 | Confident | 64 Ų | 64 | 40.5 Ų | 40.5 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 177.5 | -178.8 | -172.3 | 172.3 | -164.6 | 0 | 112.3 | L373 A374 N375 W762 | L373-K377 WeakPolarHBondContact O-CB 3.25Å; L373-K377 PolarHBondContact O-N 2.88Å; A374-K377 PolarHBondContact O-N 3.3Å; N375-K377 VanDerWaalsContact C-N 3.35Å; N375-K377 PolarHBondContact O-N 2.78Å; K377-W762 VanDerWaalsContact CA-CZ2 3.48Å; K377-W762 HydrophobicContact CB-CD2 4.11Å; K377-W762 HydrophobicContact CB-CE3 4.29Å; K377-W762 HydrophobicContact CB-CH2 4.22Å; K377-W762 HydrophobicContact CB-CZ2 4Å; K377-W762 HydrophobicContact CB-CZ3 4.35Å; K377-W762 HydrophobicContact CG-CD2 4.29Å; K377-W762 HydrophobicContact CG-CG 4.44Å |
| 378 | T | 75.9 | Confident | 71 | Confident | 51 Ų | 51 | 41.5 Ų | 41.5 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -75.4 | -41.2 | 179.4 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | P274 A374 N375 R376 Y705 | P274-T378 HydrophobicContact CG-CG2 4.08Å; A374-T378 PolarHBondContact O-N 3.44Å; A374-T378 PolarHBondContact O-OG1 3.28Å; N375-T378 PolarHBondContact O-N 3.42Å; R376-T378 VanDerWaalsContact C-N 3.3Å; R376-T378 PolarHBondContact O-N 3.33Å; T378-Y705 WeakPolarHBondContact CB-OH 3.19Å; T378-Y705 HydrophobicContact CG2-CE2 3.9Å; T378-Y705 PolarHBondContact OG1-OH 2.87Å |
| 379 | C | 79.4 | Confident | 71.7 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -85.3 | -30 | -173.3 | -61.6 | 0 | 0 | 0 | 0 | 113.8 | N375 R376 C649 L650 | N375-C379 WeakPolarHBondContact O-CB 2.92Å; N375-C379 PolarHBondContact O-N 2.99Å; N375-C379 PolarHBondContact O-SG 3.49Å; R376-C379 PolarHBondContact O-N 3.03Å; C379-C649 WeakPolarHBondContact CA-SG 3.19Å; C379-C649 HydrophobicContact CB-CB 3.61Å; C379-C649 WeakPolarHBondContact CB-SG 3.49Å; C379-C649 WeakPolarHBondContact SG-CB 3.49Å; C379-C649 PolarHBondContact SG-O 3.41Å; C379-C649 CovalentContact SG-SG 2.04Å; C379-C649 PolarHBondContact SG-SG 2.82Å; C379-L650 HydrophobicContact CB-CD2 3.99Å; C379-L650 HydrophobicContact CB-CG 4.17Å |
| 380 | I | 77.1 | Confident | 72.6 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -110.6 | 122.7 | -170.5 | -50.9 | 179.5 | 0 | 0 | 0 | 109.4 | R376 S382 Q384 I387 L650 | R376-I380 HydrophobicContact CB-CD1 4.14Å; R376-I380 HydrophobicContact CG-CD1 4.32Å; R376-I380 WeakPolarHBondContact O-CB 3.14Å; R376-I380 WeakPolarHBondContact O-CG1 3.47Å; R376-I380 PolarHBondContact O-N 2.97Å; I380-S382 PolarHBondContact O-N 3.44Å; I380-Q384 HydrophobicContact CG2-CB 4.5Å; I380-I387 HydrophobicContact CD1-CD1 3.39Å; I380-I387 HydrophobicContact CG2-CD1 3.87Å; I380-L650 HydrophobicContact CD1-CD1 4.45Å; I380-L650 HydrophobicContact CD1-CD2 4.33Å; I380-L650 HydrophobicContact CG1-CD2 4.49Å |
| 381 | H | 66.5 | Low | 73.5 | Confident | 134 Ų | 134 | 40.1 Ų | 40.1 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | trans | -66.5 | 131.9 | 176.1 | -71.7 | -78.2 | 0 | 0 | 0 | 111.2 | S383 Q384 | H381-S383 PolarHBondContact O-N 3.34Å; H381-Q384 PolarHBondContact O-N 3.13Å; H381-Q384 VanDerWaalsContact O-N 3.12Å | ||
| 382 | S | 58.1 | Low | 73.7 | Confident | 106 Ų | 106 | 40.2 Ų | 40.2 | 74% | 0.741 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -16.4 | -174.1 | 70.4 | 0 | 0 | 0 | 0 | 115.2 | I380 Q384 | I380-S382 PolarHBondContact O-N 3.44Å; S382-Q384 PolarHBondContact O-N 2.81Å |
| 383 | S | 52 | Low | 73.3 | Confident | 101 Ų | 101 | 40.8 Ų | 40.8 | 71% | 0.706 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.9 | 177 | 47.3 | 0 | 0 | 0 | 0 | 114.3 | H381 S385 | H381-S383 PolarHBondContact O-N 3.34Å; S383-S385 PolarHBondContact O-N 3.12Å |
| 384 | Q | 59 | Low | 72.4 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | trans | -101 | 67.2 | -175.8 | -60.3 | 171.9 | 4.1 | 0 | 0 | 111.4 | I380 H381 S382 K386 Y640 E646 | I380-Q384 HydrophobicContact CG2-CB 4.5Å; H381-Q384 PolarHBondContact O-N 3.13Å; H381-Q384 VanDerWaalsContact O-N 3.12Å; S382-Q384 PolarHBondContact O-N 2.81Å; Q384-K386 PolarHBondContact O-N 3.49Å; Q384-Y640 PolarHBondContact NE2-OH 2.89Å; Q384-E646 PolarHBondContact NE2-OE1 2.9Å; Q384-E646 PolarHBondContact OE1-OE1 3.08Å | ||
| 385 | S | 53.8 | Low | 71.4 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | trans | -73.5 | 22.9 | -167.7 | 64 | 0 | 0 | 0 | 0 | 117.4 | S383 D769 | S383-S385 PolarHBondContact O-N 3.12Å; S385-D769 VanDerWaalsContact CB-OD2 3.31Å; S385-D769 WeakPolarHBondContact CB-OD2 3.31Å; S385-D769 PolarHBondContact OG-OD2 2.78Å | ||
| 386 | K | 70.4 | Confident | 70.1 | Confident | 121 Ų | 121 | 54.6 Ų | 54.6 | 53% | 0.526 | 29% | 0.288 | S | S | . | . | trans | -114.5 | 26.6 | -174.6 | -68.9 | -172.1 | -179.4 | -178.9 | 0 | 115.5 | Q384 T637 N638 | Q384-K386 PolarHBondContact O-N 3.49Å; K386-T637 WeakPolarHBondContact O-CA 3.26Å; K386-N638 HydrophobicContact CB-CB 4.35Å; K386-N638 WeakPolarHBondContact CB-O 3.49Å; K386-N638 HydrophobicContact CD-CB 4.33Å; K386-N638 WeakPolarHBondContact CD-O 3.28Å; K386-N638 PolarHBondContact O-N 2.82Å; K386-N638 VanDerWaalsContact O-N 3.12Å | ||
| 387 | I | 78.7 | Confident | 68.7 | Low | 20 Ų | 20 | 57.6 Ų | 57.6 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.4 | 173.8 | -50.5 | -172.7 | 0 | 0 | 0 | 110 | I380 T635 Y636 T637 I766 | I380-I387 HydrophobicContact CD1-CD1 3.39Å; I380-I387 HydrophobicContact CG2-CD1 3.87Å; I387-T635 HydrophobicContact CG2-CG2 4.22Å; I387-Y636 CarbonylContact C-O 3.6Å; I387-T637 HydrophobicContact CG1-CG2 4.02Å; I387-I766 WeakPolarHBondContact O-CG2 3.09Å |
| 388 | I | 81.6 | Confident | 67.3 | Low | 32 Ų | 32 | 57.9 Ų | 57.9 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.8 | 178.6 | -43.3 | -179.9 | 0 | 0 | 0 | 109 | L390 F446 L449 T635 Y636 | I388-L390 HydrophobicContact CG2-CD2 4.41Å; I388-F446 HydrophobicContact CB-CE2 4.22Å; I388-F446 HydrophobicContact CD1-CE2 4.32Å; I388-F446 HydrophobicContact CD1-CZ 4.36Å; I388-F446 HydrophobicContact CG2-CD2 4.19Å; I388-F446 HydrophobicContact CG2-CE2 3.44Å; I388-F446 VanDerWaalsContact CG2-CE2 3.44Å; I388-F446 HydrophobicContact CG2-CZ 4.26Å; I388-L449 HydrophobicContact CD1-CD1 3.91Å; I388-T635 CarbonylContact O-C 3.49Å; I388-T635 VanDerWaalsContact O-CA 3.31Å; I388-T635 WeakPolarHBondContact O-CA 3.15Å; I388-Y636 HydrophobicContact CD1-CD1 3.99Å; I388-Y636 HydrophobicContact CD1-CE1 4.34Å; I388-Y636 HydrophobicContact CG1-CD1 4.31Å; I388-Y636 PolarHBondContact N-O 3.1Å; I388-Y636 PolarHBondContact O-N 3.09Å |
| 389 | D | 84 | Confident | 66 | Low | 32 Ų | 32 | 63.4 Ų | 63.4 | 17% | 0.171 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.1 | 171.5 | -152.8 | -48 | 0 | 0 | 0 | 109.1 | R376 L391 | R376-D389 IonicContact CZ-OD2 3.72Å; R376-D389 IonicContact NH1-OD2 2.96Å; R376-D389 PolarHBondContact NH1-OD2 3.24Å; R376-D389 IonicContact NH2-OD2 3.02Å; D389-L391 PolarHBondContact OD1-N 3.12Å; D389-L391 VanDerWaalsContact OD1-N 3.17Å |
| 390 | L | 87.7 | Confident | 64.6 | Low | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | trans | -95.4 | -10.5 | -176.8 | -50.3 | -171.8 | 0 | 0 | 0 | 112.4 | I388 Y438 L440 F446 L482 V612 L634 | I388-L390 HydrophobicContact CG2-CD2 4.41Å; L390-Y438 VanDerWaalsContact O-CD1 3.28Å; L390-Y438 WeakPolarHBondContact O-CD1 3Å; L390-Y438 WeakPolarHBondContact O-CE1 3.31Å; L390-L440 HydrophobicContact CD2-CD1 4.35Å; L390-F446 HydrophobicContact CD2-CD2 4.42Å; L390-F446 HydrophobicContact CD2-CE1 4.31Å; L390-F446 HydrophobicContact CD2-CE2 3.23Å; L390-F446 HydrophobicContact CD2-CZ 3.19Å; L390-L482 HydrophobicContact CD1-CD1 4.11Å; L390-L482 HydrophobicContact CD1-CD2 3.68Å; L390-V612 HydrophobicContact CB-CG2 4.05Å; L390-L634 HydrophobicContact CB-CD2 3.83Å; L390-L634 HydrophobicContact CB-CG 3.85Å; L390-L634 HydrophobicContact CD1-CD1 4.28Å; L390-L634 HydrophobicContact CD1-CD2 4.17Å; L390-L634 HydrophobicContact CD1-CG 3.95Å; L390-L634 HydrophobicContact CG-CG 4.18Å; L390-L634 PolarHBondContact N-O 3.07Å | ||
| 391 | L | 87.6 | Confident | 63.7 | Low | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -84.4 | 157.7 | 176.6 | -70.7 | 162 | 0 | 0 | 0 | 111.2 | D389 Y430 F432 V612 L631 L634 | D389-L391 PolarHBondContact OD1-N 3.12Å; D389-L391 VanDerWaalsContact OD1-N 3.17Å; L391-Y430 HydrophobicContact CB-CD2 4.14Å; L391-Y430 HydrophobicContact CB-CE2 3.84Å; L391-Y430 HydrophobicContact CD1-CD2 3.79Å; L391-Y430 HydrophobicContact CD1-CE2 4.05Å; L391-Y430 HydrophobicContact CD2-CD2 3.91Å; L391-Y430 HydrophobicContact CD2-CE2 4.48Å; L391-Y430 HydrophobicContact CD2-CG 4.08Å; L391-Y430 HydrophobicContact CG-CD2 4.14Å; L391-Y430 HydrophobicContact CG-CE2 4.32Å; L391-F432 HydrophobicContact CD2-CZ 4.38Å; L391-V612 HydrophobicContact CD2-CG1 4.26Å; L391-L631 HydrophobicContact CD2-CB 4.5Å; L391-L634 HydrophobicContact CD1-CB 3.86Å; L391-L634 HydrophobicContact CG-CB 3.93Å |
| 392 | P | 77.8 | Confident | 63.6 | Low | 5 Ų | 5 | 72.8 Ų | 72.8 | 3% | 0.032 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -61 | 139.4 | -178.8 | -18.7 | 27.2 | 0 | 0 | 0 | 113.3 | P405 Y430 Y438 | P392-P405 HydrophobicContact CG-CG 3.96Å; P392-Y430 HydrophobicContact CB-CE1 4.16Å; P392-Y430 HydrophobicContact CG-CD1 4.33Å; P392-Y430 HydrophobicContact CG-CE1 3.92Å; P392-Y430 PolarHBondContact O-OH 3.35Å; P392-Y438 HydrophobicContact CB-CD2 4.17Å; P392-Y438 HydrophobicContact CB-CE1 4.47Å; P392-Y438 HydrophobicContact CB-CE2 3.87Å; P392-Y438 HydrophobicContact CG-CD1 4.04Å; P392-Y438 HydrophobicContact CG-CD2 3.66Å; P392-Y438 HydrophobicContact CG-CE1 4.26Å; P392-Y438 HydrophobicContact CG-CE2 3.88Å; P392-Y438 HydrophobicContact CG-CG 3.74Å |
| 393 | D | 68.9 | Low | 64.6 | Low | 23 Ų | 23 | 70.8 Ų | 70.8 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 149.4 | 168.2 | -76 | -34.9 | 0 | 0 | 0 | 111.6 | Q395 H396 K445 R767 | D393-Q395 PolarHBondContact O-N 3.45Å; D393-Q395 VanDerWaalsContact O-N 3.09Å; D393-H396 PolarHBondContact O-N 2.75Å; D393-K445 VanDerWaalsContact CG-NZ 3.26Å; D393-K445 IonicContact OD1-NZ 3.8Å; D393-K445 WeakPolarHBondContact OD2-CE 3.35Å; D393-K445 IonicContact OD2-NZ 3.73Å; D393-K445 PolarHBondContact OD2-NZ 2.78Å; D393-R767 VanDerWaalsContact CG-NH1 3.35Å; D393-R767 VanDerWaalsContact CG-NH2 3.31Å; D393-R767 IonicContact OD1-CZ 2.87Å; D393-R767 IonicContact OD1-NH1 3.92Å; D393-R767 IonicContact OD1-NH2 2.85Å; D393-R767 PolarHBondContact OD1-NH2 3.23Å; D393-R767 IonicContact OD2-CZ 3.32Å; D393-R767 IonicContact OD2-NH1 2.88Å; D393-R767 PolarHBondContact OD2-NH1 3.11Å; D393-R767 IonicContact OD2-NH2 3.37Å; D393-R767 PolarHBondContact OD2-NH2 2.9Å |
| 394 | E | 54.6 | Low | 66 | Low | 72 Ų | 72 | 67.1 Ų | 67.1 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -49.9 | -37.4 | 176.1 | -68.3 | -169.3 | 136.7 | 0 | 0 | 114.4 | H396 Q397 K422 P426 | E394-H396 PolarHBondContact O-N 3.4Å; E394-H396 VanDerWaalsContact O-N 3.07Å; E394-Q397 PolarHBondContact O-N 3.18Å; E394-K422 IonicContact OE2-NZ 3.2Å; E394-K422 PolarHBondContact OE2-NZ 3.43Å; E394-P426 HydrophobicContact CG-CB 4.33Å; E394-P426 HydrophobicContact CG-CG 3.9Å; E394-P426 WeakPolarHBondContact OE1-CD 3.49Å; E394-P426 VanDerWaalsContact OE1-CG 3.31Å; E394-P426 WeakPolarHBondContact OE1-CG 3.37Å |
| 395 | Q | 51.9 | Low | 67.1 | Low | 170 Ų | 170 | 65 Ų | 65 | 79% | 0.794 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -65.4 | -13.4 | -177.1 | -68.9 | -165.2 | -19.6 | 0 | 0 | 113.5 | D393 | D393-Q395 PolarHBondContact O-N 3.45Å; D393-Q395 VanDerWaalsContact O-N 3.09Å |
| 396 | H | 51.6 | Low | 68.2 | Low | 63 Ų | 63 | 66.7 Ų | 66.7 | 29% | 0.292 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -106.2 | 0.1 | -176.6 | -67.1 | -57.6 | 0 | 0 | 0 | 114 | D393 E394 S398 Y443 | D393-H396 PolarHBondContact O-N 2.75Å; E394-H396 PolarHBondContact O-N 3.4Å; E394-H396 VanDerWaalsContact O-N 3.07Å; H396-S398 PolarHBondContact O-N 3.25Å; H396-Y443 HydrophobicContact CB-CD1 4.01Å; H396-Y443 HydrophobicContact CB-CE1 3.78Å; H396-Y443 AromaticContact CG-CD1 3.81Å; H396-Y443 AromaticContact ND1-CD1 3.89Å |
| 397 | Q | 49 | Very low | 68.4 | Low | 88 Ų | 88 | 62.1 Ų | 62.1 | 41% | 0.411 | 32% | 0.323 | S | S | . | . | trans | -76.1 | 64.3 | 165.9 | -70.9 | -175.4 | -17.4 | 0 | 0 | 110 | E394 | E394-Q397 PolarHBondContact O-N 3.18Š| ||
| 398 | S | 48.4 | Very low | 67.7 | Low | 71 Ų | 71 | 64.9 Ų | 64.9 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | trans | -67.6 | 131.6 | 156.3 | 49.3 | 0 | 0 | 0 | 0 | 107.5 | H396 D400 | H396-S398 PolarHBondContact O-N 3.25Å; S398-D400 PolarHBondContact O-N 3.38Å | ||
| 399 | N | 47.6 | Very low | 66.3 | Low | 167 Ų | 167 | 68.1 Ų | 68.1 | 89% | 0.893 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 0 | -174.5 | -79.1 | -15.9 | 0 | 0 | 0 | 117 | ||
| 400 | D | 50.2 | Low | 64.6 | Low | 143 Ų | 143 | 69.6 Ų | 69.6 | 77% | 0.765 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -9.1 | -167.4 | -63.8 | -25.5 | 0 | 0 | 0 | 115.1 | S398 | S398-D400 PolarHBondContact O-N 3.38Š|
| 401 | D | 58.5 | Low | 62.4 | Low | 53 Ų | 53 | 77.7 Ų | 77.7 | 28% | 0.283 | 40% | 0.402 | S | S | . | . | trans | -97 | 95.6 | 175.3 | -83.3 | -17.1 | 0 | 0 | 0 | 111.3 | N403 L404 K442 Y443 | D401-N403 PolarHBondContact O-N 2.98Å; D401-N403 VanDerWaalsContact O-N 3.13Å; D401-L404 HydrophobicContact CB-CD1 3.71Å; D401-L404 HydrophobicContact CB-CG 3.8Å; D401-L404 PolarHBondContact O-N 2.89Å; D401-K442 IonicContact OD1-NZ 2.73Å; D401-K442 PolarHBondContact OD1-NZ 3.28Å; D401-K442 IonicContact OD2-NZ 3.41Å; D401-K442 PolarHBondContact OD2-NZ 3.04Å; D401-Y443 PolarHBondContact OD2-OH 3.03Å; D401-Y443 VanDerWaalsContact OD2-OH 3.07Å | ||
| 402 | I | 64.8 | Low | 60.2 | Low | 156 Ų | 156 | 79.5 Ų | 79.5 | 80% | 0.8 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.4 | -177.6 | -63.9 | 169.6 | 0 | 0 | 0 | 113.2 | ||
| 403 | N | 78.3 | Confident | 58.4 | Low | 64 Ų | 64 | 79.8 Ų | 79.8 | 34% | 0.342 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 5.3 | -171.5 | -58.1 | -30.2 | 0 | 0 | 0 | 114.5 | D401 M436 Y437 | D401-N403 PolarHBondContact O-N 2.98Å; D401-N403 VanDerWaalsContact O-N 3.13Å; N403-M436 CarbonylContact O-C 3.48Å; N403-M436 VanDerWaalsContact O-CA 3.24Å; N403-M436 WeakPolarHBondContact O-CA 3.36Å; N403-M436 WeakPolarHBondContact O-CB 3.41Å; N403-Y437 HydrophobicContact CB-CD1 4.01Å; N403-Y437 HydrophobicContact CB-CE1 3.53Å; N403-Y437 PolarHBondContact ND2-OH 3.05Å; N403-Y437 PolarHBondContact O-N 3.14Å; N403-Y437 VanDerWaalsContact O-O 3.09Å |
| 404 | L | 82 | Confident | 56.9 | Low | 25 Ų | 25 | 86 Ų | 86 | 13% | 0.131 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -69.4 | 139.3 | 176.7 | -77.4 | 170.8 | 0 | 0 | 0 | 111.1 | D401 M436 Y438 | D401-L404 HydrophobicContact CB-CD1 3.71Å; D401-L404 HydrophobicContact CB-CG 3.8Å; D401-L404 PolarHBondContact O-N 2.89Å; L404-M436 WeakPolarHBondContact O-CE 3.47Å; L404-Y438 HydrophobicContact CD2-CD2 3.58Å; L404-Y438 HydrophobicContact CD2-CE2 4.11Å |
| 405 | P | 81.5 | Confident | 56 | Low | 3 Ų | 3 | 89.4 Ų | 89.4 | 2% | 0.019 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 145 | 180 | 25.5 | -35.1 | 0 | 0 | 0 | 112.7 | P392 V407 Y430 F432 | P392-P405 HydrophobicContact CG-CG 3.96Å; P405-V407 PolarHBondContact O-N 2.84Å; P405-Y430 HydrophobicContact CB-CD1 4.22Å; P405-Y430 HydrophobicContact CG-CD1 3.88Å; P405-F432 HydrophobicContact CB-CD1 4.06Å; P405-F432 HydrophobicContact CB-CD2 4.19Å; P405-F432 HydrophobicContact CB-CE1 3.72Å; P405-F432 HydrophobicContact CB-CE2 3.85Å; P405-F432 HydrophobicContact CB-CG 4.28Å; P405-F432 HydrophobicContact CB-CZ 3.61Å; P405-F432 HydrophobicContact CG-CE1 3.94Å; P405-F432 HydrophobicContact CG-CE2 4.34Å; P405-F432 HydrophobicContact CG-CZ 3.72Å |
| 406 | I | 78 | Confident | 55.5 | Low | 88 Ų | 88 | 82.8 Ų | 82.8 | 45% | 0.451 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 120.2 | -178.7 | -72.1 | 151.4 | 0 | 0 | 0 | 107.8 | E408 Y430 Y431 M436 | I406-E408 PolarHBondContact O-N 3.29Å; I406-Y430 WeakPolarHBondContact O-CA 3.44Å; I406-Y431 HydrophobicContact CD1-CD1 4.3Å; I406-Y431 PolarHBondContact N-O 3.42Å; I406-Y431 PolarHBondContact O-N 3.32Å; I406-M436 HydrophobicContact CB-CE 4.39Å; I406-M436 HydrophobicContact CD1-CE 3.93Å; I406-M436 HydrophobicContact CD1-SD 4.08Å; I406-M436 HydrophobicContact CG1-CE 3.62Å; I406-M436 HydrophobicContact CG1-SD 4.2Å |
| 407 | V | 73.8 | Confident | 54.9 | Low | 26 Ų | 26 | 83.7 Ų | 83.7 | 16% | 0.158 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 120.6 | 167.2 | 175.9 | 0 | 0 | 0 | 0 | 107.7 | P405 T409 P426 Y430 | P405-V407 PolarHBondContact O-N 2.84Å; V407-T409 PolarHBondContact O-N 2.92Å; V407-P426 HydrophobicContact CG1-CB 4.22Å; V407-Y430 HydrophobicContact CG2-CD1 3.72Å; V407-Y430 HydrophobicContact CG2-CE1 3.32Å |
| 408 | E | 63.9 | Low | 54.5 | Low | 77 Ų | 77 | 87 Ų | 87 | 36% | 0.36 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 127.6 | 174.9 | -152.8 | 175.6 | -145.2 | 0 | 0 | 108.6 | I406 S427 I429 | I406-E408 PolarHBondContact O-N 3.29Å; E408-S427 WeakPolarHBondContact O-CB 3.44Å; E408-S427 PolarHBondContact O-OG 3.11Å; E408-I429 HydrophobicContact CB-CB 4.22Å; E408-I429 HydrophobicContact CB-CG2 4.23Å; E408-I429 PolarHBondContact N-O 3.14Å |
| 409 | T | 53.2 | Low | 54.2 | Low | 100 Ų | 100 | 87.6 Ų | 87.6 | 61% | 0.613 | 46% | 0.458 | S | S | * | . | trans | -93.3 | 115.4 | 175 | 39 | 0 | 0 | 0 | 0 | 108.2 | V407 Q411 | V407-T409 PolarHBondContact O-N 2.92Å; T409-Q411 PolarHBondContact O-N 3.1Å | ||
| 410 | I | 47.2 | Very low | 54 | Low | 63 Ų | 63 | 85.6 Ų | 85.6 | 32% | 0.323 | 45% | 0.447 | S | S | . | . | trans | -67.2 | 120.1 | 173.4 | -62.1 | 159.5 | 0 | 0 | 0 | 107.2 | D368 G412 I413 | D368-I410 HydrophobicContact CB-CD1 4.17Å; I410-G412 PolarHBondContact O-N 2.99Å; I410-I413 HydrophobicContact CB-CD1 3.85Å; I410-I413 HydrophobicContact CB-CG1 4.33Å; I410-I413 VanDerWaalsContact O-CD1 3.24Å; I410-I413 WeakPolarHBondContact O-CD1 3.35Å; I410-I413 VanDerWaalsContact O-CG1 3.3Å; I410-I413 WeakPolarHBondContact O-CG1 3.2Å | ||
| 411 | Q | 41.7 | Very low | 53.7 | Low | 172 Ų | 172 | 85.8 Ų | 85.8 | 80% | 0.804 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 133.3 | 175.8 | -68.8 | -176.5 | -5.9 | 0 | 0 | 110.1 | T409 | T409-Q411 PolarHBondContact O-N 3.1Š|
| 412 | G | 41.9 | Very low | 53 | Low | 40 Ų | 40 | 88 Ų | 88 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 115.6 | -5.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I410 N414 Y711 | I410-G412 PolarHBondContact O-N 2.99Å; G412-N414 PolarHBondContact O-N 3.19Å; G412-N414 VanDerWaalsContact O-N 3.14Å; G412-Y711 WeakPolarHBondContact O-CE1 3.45Å; G412-Y711 PolarHBondContact O-OH 2.87Å |
| 413 | I | 39.1 | Very low | 51.9 | Low | 12 Ų | 12 | 89.7 Ų | 89.7 | 6% | 0.062 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -66.9 | -17 | -174.1 | -63.4 | 164.9 | 0 | 0 | 0 | 115.2 | I410 E415 L416 Y425 Y711 | I410-I413 HydrophobicContact CB-CD1 3.85Å; I410-I413 HydrophobicContact CB-CG1 4.33Å; I410-I413 VanDerWaalsContact O-CD1 3.24Å; I410-I413 WeakPolarHBondContact O-CD1 3.35Å; I410-I413 VanDerWaalsContact O-CG1 3.3Å; I410-I413 WeakPolarHBondContact O-CG1 3.2Å; I413-E415 PolarHBondContact O-N 3.15Å; I413-L416 PolarHBondContact O-N 2.89Å; I413-Y425 WeakPolarHBondContact CD1-O 3.42Å; I413-Y425 HydrophobicContact CG2-CD2 3.52Å; I413-Y425 HydrophobicContact CG2-CG 4.22Å; I413-Y711 VanDerWaalsContact CA-CZ 3.48Å; I413-Y711 WeakPolarHBondContact CA-OH 3.35Å; I413-Y711 HydrophobicContact CB-CE2 4.17Å; I413-Y711 HydrophobicContact CG1-CD2 4.18Å; I413-Y711 HydrophobicContact CG1-CE2 3.68Å; I413-Y711 HydrophobicContact CG2-CE2 4.18Å; I413-Y711 PolarHBondContact O-OH 2.79Å |
| 414 | N | 37.6 | Very low | 50.2 | Low | 153 Ų | 153 | 88.8 Ų | 88.8 | 82% | 0.818 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -67.9 | -7.3 | -176 | -66.9 | -26.3 | 0 | 0 | 0 | 114.6 | G412 | G412-N414 PolarHBondContact O-N 3.19Å; G412-N414 VanDerWaalsContact O-N 3.14Å |
| 415 | E | 36.2 | Very low | 48.7 | Very low | 143 Ų | 143 | 88.9 Ų | 88.9 | 67% | 0.668 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -95.4 | 2.8 | -175.8 | -65.4 | -177.6 | -179.7 | 0 | 0 | 114.8 | I413 | I413-E415 PolarHBondContact O-N 3.15Š|
| 416 | L | 41.7 | Very low | 47.3 | Very low | 32 Ų | 32 | 89.6 Ų | 89.6 | 17% | 0.168 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -89.3 | 152.1 | 179.1 | -85.4 | 168.3 | 0 | 0 | 0 | 115.4 | I413 K418 Y425 Q710 Y711 | I413-L416 PolarHBondContact O-N 2.89Å; L416-K418 PolarHBondContact O-N 2.98Å; L416-Y425 HydrophobicContact CB-CD2 4.24Å; L416-Y425 HydrophobicContact CB-CE2 3.53Å; L416-Y425 HydrophobicContact CD1-CD2 3.43Å; L416-Y425 VanDerWaalsContact CD1-CD2 3.43Å; L416-Y425 HydrophobicContact CD1-CE2 3.38Å; L416-Y425 HydrophobicContact CD1-CG 4.16Å; L416-Y425 HydrophobicContact CG-CE2 4.15Å; L416-Q710 HydrophobicContact CD1-CG 3.48Å; L416-Q710 VanDerWaalsContact CD1-CG 3.48Å; L416-Q710 VanDerWaalsContact CD2-CD 3.46Å; L416-Q710 HydrophobicContact CD2-CG 3.36Å; L416-Q710 HydrophobicContact CG-CG 3.9Å; L416-Y711 HydrophobicContact CD1-CD2 4.35Å; L416-Y711 HydrophobicContact CD1-CE2 3.27Å; L416-Y711 WeakPolarHBondContact CD1-OH 3.33Å; L416-Y711 HydrophobicContact CG-CE2 4Å; L416-Y711 WeakPolarHBondContact CG-OH 3.28Å |
| 417 | P | 38.2 | Very low | 46.4 | Very low | 81 Ų | 81 | 85.4 Ų | 85.4 | 53% | 0.526 | 44% | 0.437 | S | S | . | . | trans | -56.9 | 131.1 | 167.8 | -19.2 | 31 | 0 | 0 | 0 | 110.2 | Y419 Y425 | P417-Y419 PolarHBondContact O-N 3.37Å; P417-Y425 PolarHBondContact O-OH 3.14Å | ||
| 418 | K | 41.2 | Very low | 46.2 | Very low | 158 Ų | 158 | 85 Ų | 85 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | trans | -74.9 | 113.5 | 177.2 | -65.9 | 171.6 | -177.2 | 167.4 | 0 | 109.3 | L416 | L416-K418 PolarHBondContact O-N 2.98Š| ||
| 419 | Y | 42.3 | Very low | 46.9 | Very low | 84 Ų | 84 | 82.1 Ų | 82.1 | 33% | 0.329 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -95.8 | 128 | 165.4 | -170.2 | -106 | 0 | 0 | 0 | 109.4 | P417 N421 K422 E753 I757 | P417-Y419 PolarHBondContact O-N 3.37Å; Y419-N421 VanDerWaalsContact C-N 3.3Å; Y419-N421 PolarHBondContact O-N 3.44Å; Y419-K422 PolarHBondContact O-N 3.43Å; Y419-E753 HydrophobicContact CD2-CG 4.49Å; Y419-E753 HydrophobicContact CE2-CG 4.45Å; Y419-I757 HydrophobicContact CE2-CD1 4.38Å; Y419-I757 HydrophobicContact CE2-CG1 4.35Å |
| 420 | N | 42.2 | Very low | 48.5 | Very low | 125 Ų | 125 | 77.6 Ų | 77.6 | 67% | 0.668 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 41.6 | -177.9 | -75.6 | -24.4 | 0 | 0 | 0 | 115.6 | K422 | N420-K422 PolarHBondContact O-N 2.86Š|
| 421 | N | 43.9 | Very low | 50.5 | Low | 147 Ų | 147 | 77.4 Ų | 77.4 | 79% | 0.786 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 18.5 | 176.6 | -67.8 | -25 | 0 | 0 | 0 | 115.8 | Y419 | Y419-N421 VanDerWaalsContact C-N 3.3Å; Y419-N421 PolarHBondContact O-N 3.44Å |
| 422 | K | 44.3 | Very low | 52.8 | Low | 100 Ų | 100 | 69.2 Ų | 69.2 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | trans | -72.6 | 129.8 | 172.6 | -68.8 | -170.9 | 171.8 | -163.3 | 0 | 110.2 | E394 Y419 N420 | E394-K422 IonicContact OE2-NZ 3.2Å; E394-K422 PolarHBondContact OE2-NZ 3.43Å; Y419-K422 PolarHBondContact O-N 3.43Å; N420-K422 PolarHBondContact O-N 2.86Å | ||
| 423 | K | 42 | Very low | 54.9 | Low | 190 Ų | 190 | 70.7 Ų | 70.7 | 83% | 0.826 | 35% | 0.348 | S | S | * | . | trans | -89.3 | -14 | -172.6 | -84.6 | -175.1 | 177.1 | 179.5 | 0 | 114.9 | ||||
| 424 | S | 43.2 | Very low | 57.2 | Low | 45 Ų | 45 | 71.4 Ų | 71.4 | 32% | 0.315 | 36% | 0.359 | S | S | . | . | trans | -151.2 | 144 | -178.7 | -169 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 425 | Y | 50.1 | Low | 59.5 | Low | 28 Ų | 28 | 67 Ų | 67 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | trans | -97.1 | 126.8 | 170.8 | -66.1 | -88 | 0 | 0 | 0 | 106.8 | Y370 I413 L416 P417 | Y370-Y425 AromaticContact CE2-CD1 3.79Å; Y370-Y425 HydrophobicContact CE2-CD1 3.79Å; Y370-Y425 HydrophobicContact CE2-CE1 4.3Å; I413-Y425 WeakPolarHBondContact CD1-O 3.42Å; I413-Y425 HydrophobicContact CG2-CD2 3.52Å; I413-Y425 HydrophobicContact CG2-CG 4.22Å; L416-Y425 HydrophobicContact CB-CD2 4.24Å; L416-Y425 HydrophobicContact CB-CE2 3.53Å; L416-Y425 HydrophobicContact CD1-CD2 3.43Å; L416-Y425 VanDerWaalsContact CD1-CD2 3.43Å; L416-Y425 HydrophobicContact CD1-CE2 3.38Å; L416-Y425 HydrophobicContact CD1-CG 4.16Å; L416-Y425 HydrophobicContact CG-CE2 4.15Å; P417-Y425 PolarHBondContact O-OH 3.14Å | ||
| 426 | P | 51.5 | Low | 62 | Low | 18 Ų | 18 | 60.7 Ų | 60.7 | 12% | 0.117 | 31% | 0.311 | C | S | . | . | trans | -78 | 139.7 | -170.5 | 31 | -30.1 | 0 | 0 | 0 | 109.5 | Y369 E394 V407 N428 | Y369-P426 VanDerWaalsContact CB-O 3.3Å; Y369-P426 WeakPolarHBondContact CB-O 3.5Å; E394-P426 HydrophobicContact CG-CB 4.33Å; E394-P426 HydrophobicContact CG-CG 3.9Å; E394-P426 WeakPolarHBondContact OE1-CD 3.49Å; E394-P426 VanDerWaalsContact OE1-CG 3.31Å; E394-P426 WeakPolarHBondContact OE1-CG 3.37Å; V407-P426 HydrophobicContact CG1-CB 4.22Å; P426-N428 PolarHBondContact O-N 2.04Å | ||
| 427 | S | 58.2 | Low | 64.4 | Low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -64.5 | -17.2 | 170.5 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | D368 Y369 E408 I429 | D368-S427 CarbonylContact C-O 3.53Å; D368-S427 WeakPolarHBondContact CA-O 3.43Å; Y369-S427 PolarHBondContact N-O 2.81Å; E408-S427 WeakPolarHBondContact O-CB 3.44Å; E408-S427 PolarHBondContact O-OG 3.11Å; S427-I429 PolarHBondContact O-N 3.4Å; S427-I429 PolarHBondContact OG-N 2.66Å; S427-I429 VanDerWaalsContact OG-N 3.07Å; S427-I429 PolarHBondContact OG-O 3.16Å | ||
| 428 | N | 69.9 | Low | 66.8 | Low | 16 Ų | 16 | 58.1 Ų | 58.1 | 9% | 0.086 | 29% | 0.289 | C | S | . | . | trans | 54.2 | 14 | -167 | -95.1 | 24.2 | 0 | 0 | 0 | 114.7 | Y369 L372 P426 Y430 | Y369-N428 VanDerWaalsContact CD2-ND2 3.29Å; Y369-N428 WeakPolarHBondContact CD2-ND2 3.41Å; Y369-N428 WeakPolarHBondContact CD2-OD1 3.14Å; L372-N428 HydrophobicContact CD1-CB 4.42Å; P426-N428 PolarHBondContact O-N 2.04Å; N428-Y430 HydrophobicContact CB-CE2 4.48Å; N428-Y430 VanDerWaalsContact O-CD2 3.27Å; N428-Y430 WeakPolarHBondContact O-CD2 3.48Å; N428-Y430 WeakPolarHBondContact O-CE2 3.47Å | ||
| 429 | I | 79 | Confident | 69.1 | Low | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.7 | 171.2 | -60.9 | 169.7 | 0 | 0 | 0 | 106.2 | L367 E408 S427 W542 Y630 A632 | L367-I429 HydrophobicContact CB-CD1 4.02Å; L367-I429 HydrophobicContact CB-CG1 4Å; E408-I429 HydrophobicContact CB-CB 4.22Å; E408-I429 HydrophobicContact CB-CG2 4.23Å; E408-I429 PolarHBondContact N-O 3.14Å; S427-I429 PolarHBondContact O-N 3.4Å; S427-I429 PolarHBondContact OG-N 2.66Å; S427-I429 VanDerWaalsContact OG-N 3.07Å; S427-I429 PolarHBondContact OG-O 3.16Å; I429-W542 HydrophobicContact CG2-CH2 4.02Å; I429-W542 HydrophobicContact CG2-CZ2 3.86Å; I429-Y630 HydrophobicContact CG2-CD1 3.83Å; I429-A632 HydrophobicContact CG1-CB 4.25Å |
| 430 | Y | 86.9 | Confident | 71.1 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.9 | -177 | -66.3 | -96.1 | 0 | 0 | 0 | 108.8 | L391 P392 P405 I406 V407 N428 Y630 L631 | L391-Y430 HydrophobicContact CB-CD2 4.14Å; L391-Y430 HydrophobicContact CB-CE2 3.84Å; L391-Y430 HydrophobicContact CD1-CD2 3.79Å; L391-Y430 HydrophobicContact CD1-CE2 4.05Å; L391-Y430 HydrophobicContact CD2-CD2 3.91Å; L391-Y430 HydrophobicContact CD2-CE2 4.48Å; L391-Y430 HydrophobicContact CD2-CG 4.08Å; L391-Y430 HydrophobicContact CG-CD2 4.14Å; L391-Y430 HydrophobicContact CG-CE2 4.32Å; P392-Y430 HydrophobicContact CB-CE1 4.16Å; P392-Y430 HydrophobicContact CG-CD1 4.33Å; P392-Y430 HydrophobicContact CG-CE1 3.92Å; P392-Y430 PolarHBondContact O-OH 3.35Å; P405-Y430 HydrophobicContact CB-CD1 4.22Å; P405-Y430 HydrophobicContact CG-CD1 3.88Å; I406-Y430 WeakPolarHBondContact O-CA 3.44Å; V407-Y430 HydrophobicContact CG2-CD1 3.72Å; V407-Y430 HydrophobicContact CG2-CE1 3.32Å; N428-Y430 HydrophobicContact CB-CE2 4.48Å; N428-Y430 VanDerWaalsContact O-CD2 3.27Å; N428-Y430 WeakPolarHBondContact O-CD2 3.48Å; N428-Y430 WeakPolarHBondContact O-CE2 3.47Å; Y430-Y630 WeakPolarHBondContact O-CA 3.14Å; Y430-L631 PolarHBondContact N-O 2.99Å; Y430-L631 PolarHBondContact O-N 2Å |
| 431 | Y | 89 | Confident | 72.9 | Confident | 60 Ų | 60 | 43.3 Ų | 43.3 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 131.2 | 172.8 | 178.3 | -111.9 | 0 | 0 | 0 | 110.4 | I406 N433 M436 G629 Y630 | I406-Y431 HydrophobicContact CD1-CD1 4.3Å; I406-Y431 PolarHBondContact N-O 3.42Å; I406-Y431 PolarHBondContact O-N 3.32Å; Y431-N433 HydrophobicContact CD1-CB 4.36Å; Y431-N433 HydrophobicContact CE1-CB 3.63Å; Y431-M436 VanDerWaalsContact O-SD 3.38Å; Y431-G629 WeakPolarHBondContact CD2-O 3.47Å; Y431-Y630 AromaticContact CD2-CD1 3.9Å; Y431-Y630 HydrophobicContact CD2-CD1 3.9Å; Y431-Y630 HydrophobicContact CD2-CD2 4.07Å; Y431-Y630 AromaticContact CD2-CE1 3.6Å; Y431-Y630 HydrophobicContact CD2-CE1 3.6Å; Y431-Y630 AromaticContact CD2-CE2 3.74Å; Y431-Y630 HydrophobicContact CD2-CE2 3.74Å; Y431-Y630 HydrophobicContact CD2-CG 4.14Å; Y431-Y630 AromaticContact CD2-CZ 3.49Å; Y431-Y630 VanDerWaalsContact CD2-CZ 3.49Å; Y431-Y630 HydrophobicContact CE2-CE2 4.03Å; Y431-Y630 HydrophobicContact CG-CD1 4.37Å; Y431-Y630 HydrophobicContact CG-CE1 4.01Å |
| 432 | F | 90.8 | Very high | 74.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123 | 174.1 | -66.5 | -103.5 | 0 | 0 | 0 | 108.5 | L391 P405 M436 V612 F627 V628 G629 L631 | L391-F432 HydrophobicContact CD2-CZ 4.38Å; P405-F432 HydrophobicContact CB-CD1 4.06Å; P405-F432 HydrophobicContact CB-CD2 4.19Å; P405-F432 HydrophobicContact CB-CE1 3.72Å; P405-F432 HydrophobicContact CB-CE2 3.85Å; P405-F432 HydrophobicContact CB-CG 4.28Å; P405-F432 HydrophobicContact CB-CZ 3.61Å; P405-F432 HydrophobicContact CG-CE1 3.94Å; P405-F432 HydrophobicContact CG-CE2 4.34Å; P405-F432 HydrophobicContact CG-CZ 3.72Å; F432-M436 HydrophobicContact CD1-CB 4.18Å; F432-V612 HydrophobicContact CE1-CG1 4.44Å; F432-V612 HydrophobicContact CZ-CG1 3.99Å; F432-F627 HydrophobicContact CB-CD1 3.74Å; F432-F627 HydrophobicContact CB-CE1 4.46Å; F432-F627 VanDerWaalsContact CB-O 3.3Å; F432-F627 WeakPolarHBondContact CB-O 3.47Å; F432-F627 AromaticContact CD2-CD1 3.98Å; F432-F627 HydrophobicContact CD2-CD1 3.98Å; F432-F627 HydrophobicContact CD2-CE1 4.36Å; F432-F627 AromaticContact CG-CD1 3.9Å; F432-F627 HydrophobicContact CG-CD1 3.9Å; F432-V628 WeakPolarHBondContact O-CA 3.29Å; F432-G629 PolarHBondContact N-O 2.77Å; F432-G629 PolarHBondContact O-N 3.22Å; F432-L631 HydrophobicContact CD2-CD1 4.15Å; F432-L631 HydrophobicContact CD2-CG 4.28Å; F432-L631 HydrophobicContact CE2-CB 4.03Å; F432-L631 HydrophobicContact CE2-CD1 3.69Å; F432-L631 HydrophobicContact CE2-CG 4.05Å; F432-L631 HydrophobicContact CZ-CD1 4.12Å |
| 433 | N | 86.3 | Confident | 75.2 | Confident | 70 Ų | 70 | 38.3 Ų | 38.3 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 11.3 | -173.6 | 74.7 | 7 | 0 | 0 | 0 | 114.3 | Y431 S435 M436 | Y431-N433 HydrophobicContact CD1-CB 4.36Å; Y431-N433 HydrophobicContact CE1-CB 3.63Å; N433-S435 PolarHBondContact OD1-N 2.66Å; N433-S435 PolarHBondContact OD1-OG 2.93Å; N433-M436 HydrophobicContact CB-CG 4.33Å; N433-M436 HydrophobicContact CB-SD 4.07Å; N433-M436 VanDerWaalsContact CG-CG 3.49Å; N433-M436 WeakPolarHBondContact OD1-CG 3.36Å |
| 434 | G | 86.8 | Confident | 75.7 | Confident | 28 Ų | 28 | 36.7 Ų | 36.7 | 29% | 0.289 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 84.6 | 5.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | H626 F627 | G434-H626 WeakPolarHBondContact O-CB 3.4Å; G434-F627 PolarHBondContact N-O 2.88Å |
| 435 | S | 85.7 | Confident | 76.2 | Confident | 61 Ų | 61 | 37 Ų | 37 | 43% | 0.427 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -132.8 | -2.3 | 170.4 | 65 | 0 | 0 | 0 | 0 | 113.6 | N433 | N433-S435 PolarHBondContact OD1-N 2.66Å; N433-S435 PolarHBondContact OD1-OG 2.93Å |
| 436 | M | 89.3 | Confident | 76.6 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | trans | -97.4 | 148.4 | -172.9 | -41.9 | -176.2 | 88.3 | 0 | 0 | 110.5 | N403 L404 I406 Y431 F432 N433 | N403-M436 CarbonylContact O-C 3.48Å; N403-M436 VanDerWaalsContact O-CA 3.24Å; N403-M436 WeakPolarHBondContact O-CA 3.36Å; N403-M436 WeakPolarHBondContact O-CB 3.41Å; L404-M436 WeakPolarHBondContact O-CE 3.47Å; I406-M436 HydrophobicContact CB-CE 4.39Å; I406-M436 HydrophobicContact CD1-CE 3.93Å; I406-M436 HydrophobicContact CD1-SD 4.08Å; I406-M436 HydrophobicContact CG1-CE 3.62Å; I406-M436 HydrophobicContact CG1-SD 4.2Å; Y431-M436 VanDerWaalsContact O-SD 3.38Å; F432-M436 HydrophobicContact CD1-CB 4.18Å; N433-M436 HydrophobicContact CB-CG 4.33Å; N433-M436 HydrophobicContact CB-SD 4.07Å; N433-M436 VanDerWaalsContact CG-CG 3.49Å; N433-M436 WeakPolarHBondContact OD1-CG 3.36Å | ||
| 437 | Y | 91.6 | Very high | 76.5 | Confident | 57 Ų | 57 | 39.5 Ų | 39.5 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | trans | -155.7 | 163.6 | 177.9 | 59.8 | -93.3 | 0 | 0 | 0 | 111.1 | N403 V612 A614 F623 H626 | N403-Y437 HydrophobicContact CB-CD1 4.01Å; N403-Y437 HydrophobicContact CB-CE1 3.53Å; N403-Y437 PolarHBondContact ND2-OH 3.05Å; N403-Y437 PolarHBondContact O-N 3.14Å; N403-Y437 VanDerWaalsContact O-O 3.09Å; Y437-V612 CarbonylContact C-O 3.54Å; Y437-V612 WeakPolarHBondContact CA-O 3.35Å; Y437-A614 HydrophobicContact CG-CB 4.48Å; Y437-F623 HydrophobicContact CD1-CB 3.89Å; Y437-F623 AromaticContact CD1-CD2 3.97Å; Y437-F623 HydrophobicContact CD1-CD2 3.97Å; Y437-F623 AromaticContact CD1-CG 3.94Å; Y437-F623 HydrophobicContact CD1-CG 3.94Å; Y437-F623 HydrophobicContact CD2-CD1 4.24Å; Y437-F623 AromaticContact CD2-CD2 3.68Å; Y437-F623 HydrophobicContact CD2-CD2 3.68Å; Y437-F623 HydrophobicContact CD2-CE1 4.24Å; Y437-F623 AromaticContact CD2-CE2 3.68Å; Y437-F623 HydrophobicContact CD2-CE2 3.68Å; Y437-F623 AromaticContact CD2-CG 3.96Å; Y437-F623 HydrophobicContact CD2-CG 3.96Å; Y437-F623 AromaticContact CD2-CZ 3.97Å; Y437-F623 HydrophobicContact CD2-CZ 3.97Å; Y437-F623 HydrophobicContact CE1-CB 4.05Å; Y437-F623 AromaticContact CE1-CD2 3.61Å; Y437-F623 HydrophobicContact CE1-CD2 3.61Å; Y437-F623 HydrophobicContact CE1-CE2 4.38Å; Y437-F623 HydrophobicContact CE1-CG 4.02Å; Y437-F623 AromaticContact CE2-CD2 3.32Å; Y437-F623 HydrophobicContact CE2-CD2 3.32Å; Y437-F623 AromaticContact CE2-CE2 3.22Å; Y437-F623 HydrophobicContact CE2-CE2 3.22Å; Y437-F623 HydrophobicContact CE2-CG 4.07Å; Y437-F623 AromaticContact CE2-CZ 3.92Å; Y437-F623 HydrophobicContact CE2-CZ 3.92Å; Y437-F623 HydrophobicContact CG-CB 4.26Å; Y437-F623 HydrophobicContact CG-CD1 4.28Å; Y437-F623 HydrophobicContact CG-CD2 4Å; Y437-F623 HydrophobicContact CG-CE2 4.44Å; Y437-F623 AromaticContact CG-CG 3.91Å; Y437-F623 HydrophobicContact CG-CG 3.91Å; Y437-F623 AromaticContact CZ-CD2 3.27Å; Y437-F623 AromaticContact CZ-CE2 3.62Å; Y437-H626 AromaticContact CD1-NE2 3.94Å | ||
| 438 | Y | 89.9 | Confident | 76.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 108.5 | 171.8 | -177.1 | -124 | 0 | 0 | 0 | 110.3 | L390 P392 L404 L440 Y443 S611 V612 | L390-Y438 VanDerWaalsContact O-CD1 3.28Å; L390-Y438 WeakPolarHBondContact O-CD1 3Å; L390-Y438 WeakPolarHBondContact O-CE1 3.31Å; P392-Y438 HydrophobicContact CB-CD2 4.17Å; P392-Y438 HydrophobicContact CB-CE1 4.47Å; P392-Y438 HydrophobicContact CB-CE2 3.87Å; P392-Y438 HydrophobicContact CG-CD1 4.04Å; P392-Y438 HydrophobicContact CG-CD2 3.66Å; P392-Y438 HydrophobicContact CG-CE1 4.26Å; P392-Y438 HydrophobicContact CG-CE2 3.88Å; P392-Y438 HydrophobicContact CG-CG 3.74Å; L404-Y438 HydrophobicContact CD2-CD2 3.58Å; L404-Y438 HydrophobicContact CD2-CE2 4.11Å; Y438-L440 HydrophobicContact CD1-CD2 3.74Å; Y438-L440 HydrophobicContact CD1-CG 4.4Å; Y438-L440 HydrophobicContact CE1-CD2 3.49Å; Y438-L440 VanDerWaalsContact CE1-CD2 3.49Å; Y438-L440 PolarHBondContact O-N 3.27Å; Y438-Y443 HydrophobicContact CD2-CD2 4.21Å; Y438-Y443 AromaticContact CD2-CE2 3.69Å; Y438-Y443 HydrophobicContact CD2-CE2 3.69Å; Y438-Y443 AromaticContact CE2-CD2 3.35Å; Y438-Y443 HydrophobicContact CE2-CD2 3.35Å; Y438-Y443 HydrophobicContact CE2-CE1 4.34Å; Y438-Y443 AromaticContact CE2-CE2 3.07Å; Y438-Y443 HydrophobicContact CE2-CE2 3.07Å; Y438-Y443 HydrophobicContact CE2-CG 4.13Å; Y438-Y443 AromaticContact CE2-CZ 3.62Å; Y438-Y443 AromaticContact CZ-CD2 3.51Å; Y438-Y443 AromaticContact CZ-CE2 3.78Å; Y438-Y443 WeakPolarHBondContact OH-CD2 3.48Å; Y438-S611 CarbonylContact O-C 3.58Å; Y438-S611 VanDerWaalsContact O-CA 3.23Å; Y438-S611 WeakPolarHBondContact O-CA 3.36Å; Y438-V612 PolarHBondContact N-O 2.76Å; Y438-V612 PolarHBondContact O-N 3.24Å |
| 439 | D | 87.7 | Confident | 75.5 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 108 | 177.5 | -178.4 | -8.2 | 0 | 0 | 0 | 110.2 | N441 K442 Y443 R609 F623 | D439-N441 VanDerWaalsContact C-N 3.28Å; D439-N441 PolarHBondContact O-N 3.41Å; D439-N441 WeakPolarHBondContact OD1-CB 3.01Å; D439-N441 PolarHBondContact OD1-N 3.47Å; D439-K442 HydrophobicContact CB-CB 4.47Å; D439-K442 PolarHBondContact O-N 2.99Å; D439-Y443 WeakPolarHBondContact O-CD2 3.5Å; D439-Y443 WeakPolarHBondContact O-CE2 3.17Å; D439-R609 IonicContact OD1-NE 3.57Å; D439-R609 IonicContact OD2-CZ 3.75Å; D439-R609 IonicContact OD2-NE 3.12Å; D439-R609 PolarHBondContact OD2-NE 3.12Å; D439-R609 IonicContact OD2-NH2 2.98Å; D439-R609 PolarHBondContact OD2-NH2 2.78Å; D439-F623 HydrophobicContact CB-CZ 4.07Å |
| 440 | L | 85 | Confident | 74.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -69.9 | -23.9 | -177.9 | -69.1 | 171.3 | 0 | 0 | 0 | 112.9 | L390 Y438 F446 L482 T610 V612 | L390-L440 HydrophobicContact CD2-CD1 4.35Å; Y438-L440 HydrophobicContact CD1-CD2 3.74Å; Y438-L440 HydrophobicContact CD1-CG 4.4Å; Y438-L440 HydrophobicContact CE1-CD2 3.49Å; Y438-L440 VanDerWaalsContact CE1-CD2 3.49Å; Y438-L440 PolarHBondContact O-N 3.27Å; L440-F446 HydrophobicContact CB-CB 4.05Å; L440-F446 HydrophobicContact CB-CG 4.17Å; L440-F446 HydrophobicContact CD1-CD1 4.32Å; L440-F446 HydrophobicContact CD1-CD2 4.34Å; L440-F446 HydrophobicContact CD1-CE1 4.35Å; L440-F446 HydrophobicContact CD1-CE2 4.37Å; L440-F446 HydrophobicContact CD1-CG 4.33Å; L440-F446 HydrophobicContact CD1-CZ 4.43Å; L440-F446 HydrophobicContact CD2-CD2 4.34Å; L440-L482 HydrophobicContact CD1-CD1 4.31Å; L440-T610 WeakPolarHBondContact CB-O 3.48Å; L440-T610 HydrophobicContact CD1-CG2 3.82Å; L440-T610 PolarHBondContact N-O 3.38Å; L440-V612 HydrophobicContact CD1-CG2 4.23Å |
| 441 | N | 80 | Confident | 73.6 | Confident | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.214 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -34.3 | -179.2 | -70.3 | 34.1 | 0 | 0 | 0 | 111.6 | D439 Y443 V608 R609 T610 | D439-N441 VanDerWaalsContact C-N 3.28Å; D439-N441 PolarHBondContact O-N 3.41Å; D439-N441 WeakPolarHBondContact OD1-CB 3.01Å; D439-N441 PolarHBondContact OD1-N 3.47Å; N441-Y443 PolarHBondContact O-N 2.94Å; N441-V608 PolarHBondContact ND2-O 3.32Å; N441-R609 WeakPolarHBondContact ND2-CA 3.27Å; N441-T610 PolarHBondContact OD1-N 3.47Å |
| 442 | K | 71.7 | Confident | 73.2 | Confident | 112 Ų | 112 | 50.4 Ų | 50.4 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.4 | -179.8 | -168.7 | 178.6 | -179.3 | -175.6 | 0 | 113 | D401 D439 | D401-K442 IonicContact OD1-NZ 2.73Å; D401-K442 PolarHBondContact OD1-NZ 3.28Å; D401-K442 IonicContact OD2-NZ 3.41Å; D401-K442 PolarHBondContact OD2-NZ 3.04Å; D439-K442 HydrophobicContact CB-CB 4.47Å; D439-K442 PolarHBondContact O-N 2.99Å |
| 443 | Y | 63.9 | Low | 72.5 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 12% | 0.122 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 12.2 | -169.9 | -62.9 | -80.5 | 0 | 0 | 0 | 114.8 | H396 D401 Y438 D439 N441 K445 | H396-Y443 HydrophobicContact CB-CD1 4.01Å; H396-Y443 HydrophobicContact CB-CE1 3.78Å; H396-Y443 AromaticContact CG-CD1 3.81Å; H396-Y443 AromaticContact ND1-CD1 3.89Å; D401-Y443 PolarHBondContact OD2-OH 3.03Å; D401-Y443 VanDerWaalsContact OD2-OH 3.07Å; Y438-Y443 HydrophobicContact CD2-CD2 4.21Å; Y438-Y443 AromaticContact CD2-CE2 3.69Å; Y438-Y443 HydrophobicContact CD2-CE2 3.69Å; Y438-Y443 AromaticContact CE2-CD2 3.35Å; Y438-Y443 HydrophobicContact CE2-CD2 3.35Å; Y438-Y443 HydrophobicContact CE2-CE1 4.34Å; Y438-Y443 AromaticContact CE2-CE2 3.07Å; Y438-Y443 HydrophobicContact CE2-CE2 3.07Å; Y438-Y443 HydrophobicContact CE2-CG 4.13Å; Y438-Y443 AromaticContact CE2-CZ 3.62Å; Y438-Y443 AromaticContact CZ-CD2 3.51Å; Y438-Y443 AromaticContact CZ-CE2 3.78Å; Y438-Y443 WeakPolarHBondContact OH-CD2 3.48Å; D439-Y443 WeakPolarHBondContact O-CD2 3.5Å; D439-Y443 WeakPolarHBondContact O-CE2 3.17Å; N441-Y443 PolarHBondContact O-N 2.94Å; Y443-K445 PolarHBondContact O-N 3.24Å |
| 444 | H | 54 | Low | 72.1 | Confident | 155 Ų | 155 | 49.9 Ų | 49.9 | 72% | 0.718 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 7.7 | 178.6 | -69.9 | -69.5 | 0 | 0 | 0 | 115.9 | F446 | H444-F446 VanDerWaalsContact C-N 3.32Š|
| 445 | K | 52.7 | Low | 71.8 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -77.4 | -21 | 179 | -77.5 | 179.3 | 178.8 | 178.9 | 0 | 112.2 | D393 Y443 | D393-K445 VanDerWaalsContact CG-NZ 3.26Å; D393-K445 IonicContact OD1-NZ 3.8Å; D393-K445 WeakPolarHBondContact OD2-CE 3.35Å; D393-K445 IonicContact OD2-NZ 3.73Å; D393-K445 PolarHBondContact OD2-NZ 2.78Å; Y443-K445 PolarHBondContact O-N 3.24Å |
| 446 | F | 58.1 | Low | 71.9 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | trans | -129.9 | 6.2 | -156.5 | -118.7 | -96.9 | 0 | 0 | 0 | 115.9 | I388 L390 L440 H444 K448 L449 | I388-F446 HydrophobicContact CB-CE2 4.22Å; I388-F446 HydrophobicContact CD1-CE2 4.32Å; I388-F446 HydrophobicContact CD1-CZ 4.36Å; I388-F446 HydrophobicContact CG2-CD2 4.19Å; I388-F446 HydrophobicContact CG2-CE2 3.44Å; I388-F446 VanDerWaalsContact CG2-CE2 3.44Å; I388-F446 HydrophobicContact CG2-CZ 4.26Å; L390-F446 HydrophobicContact CD2-CD2 4.42Å; L390-F446 HydrophobicContact CD2-CE1 4.31Å; L390-F446 HydrophobicContact CD2-CE2 3.23Å; L390-F446 HydrophobicContact CD2-CZ 3.19Å; L440-F446 HydrophobicContact CB-CB 4.05Å; L440-F446 HydrophobicContact CB-CG 4.17Å; L440-F446 HydrophobicContact CD1-CD1 4.32Å; L440-F446 HydrophobicContact CD1-CD2 4.34Å; L440-F446 HydrophobicContact CD1-CE1 4.35Å; L440-F446 HydrophobicContact CD1-CE2 4.37Å; L440-F446 HydrophobicContact CD1-CG 4.33Å; L440-F446 HydrophobicContact CD1-CZ 4.43Å; L440-F446 HydrophobicContact CD2-CD2 4.34Å; H444-F446 VanDerWaalsContact C-N 3.32Å; F446-K448 PolarHBondContact O-N 3.23Å; F446-L449 HydrophobicContact CD1-CB 3.78Å; F446-L449 HydrophobicContact CD1-CD1 3.93Å; F446-L449 HydrophobicContact CD1-CD2 4.49Å; F446-L449 HydrophobicContact CD1-CG 4.26Å; F446-L449 HydrophobicContact CE1-CB 3.67Å; F446-L449 HydrophobicContact CE1-CD1 3.49Å; F446-L449 VanDerWaalsContact CE1-CD1 3.49Å; F446-L449 HydrophobicContact CE1-CD2 3.56Å; F446-L449 HydrophobicContact CE1-CG 3.74Å; F446-L449 HydrophobicContact CZ-CD1 3.85Å; F446-L449 HydrophobicContact CZ-CD2 4.11Å; F446-L449 HydrophobicContact CZ-CG 4.44Å; F446-L449 PolarHBondContact O-N 3.26Å | ||
| 447 | N | 50.6 | Low | 72 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 9.2 | -175.8 | -66.4 | 22.7 | 0 | 0 | 0 | 116.1 | H450 | N447-H450 PolarHBondContact O-NE2 2.61Š|
| 448 | K | 52.1 | Low | 72.1 | Confident | 187 Ų | 187 | 49.1 Ų | 49.1 | 81% | 0.813 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | -4.8 | -178.5 | -72.8 | -169.5 | 177.2 | -174.5 | 0 | 115.3 | F446 H450 | F446-K448 PolarHBondContact O-N 3.23Å; K448-H450 PolarHBondContact O-N 3.31Å; K448-H450 VanDerWaalsContact O-N 3.12Å |
| 449 | L | 53.9 | Low | 72.3 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 7% | 0.068 | 23% | 0.231 | C | C | . | . | trans | -85.3 | 73.3 | 166.7 | -91.8 | 93 | 0 | 0 | 0 | 109 | I388 F446 F452 Y636 | I388-L449 HydrophobicContact CD1-CD1 3.91Å; F446-L449 HydrophobicContact CD1-CB 3.78Å; F446-L449 HydrophobicContact CD1-CD1 3.93Å; F446-L449 HydrophobicContact CD1-CD2 4.49Å; F446-L449 HydrophobicContact CD1-CG 4.26Å; F446-L449 HydrophobicContact CE1-CB 3.67Å; F446-L449 HydrophobicContact CE1-CD1 3.49Å; F446-L449 VanDerWaalsContact CE1-CD1 3.49Å; F446-L449 HydrophobicContact CE1-CD2 3.56Å; F446-L449 HydrophobicContact CE1-CG 3.74Å; F446-L449 HydrophobicContact CZ-CD1 3.85Å; F446-L449 HydrophobicContact CZ-CD2 4.11Å; F446-L449 HydrophobicContact CZ-CG 4.44Å; F446-L449 PolarHBondContact O-N 3.26Å; L449-F452 HydrophobicContact CD2-CD1 4.14Å; L449-F452 HydrophobicContact CD2-CE1 3.5Å; L449-F452 HydrophobicContact CD2-CE2 4.15Å; L449-F452 HydrophobicContact CD2-CZ 3.52Å; L449-Y636 HydrophobicContact CD1-CD1 4.43Å; L449-Y636 HydrophobicContact CD1-CE1 3.93Å; L449-Y636 HydrophobicContact CD2-CD1 3.82Å; L449-Y636 HydrophobicContact CD2-CD2 4.37Å; L449-Y636 HydrophobicContact CD2-CE1 3.24Å; L449-Y636 HydrophobicContact CD2-CE2 3.86Å; L449-Y636 HydrophobicContact CD2-CG 4.35Å; L449-Y636 HydrophobicContact CG-CE1 4Å | ||
| 450 | H | 56.2 | Low | 72.7 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | trans | -82.5 | -20.4 | 170.2 | -75 | -91.3 | 0 | 0 | 0 | 111.7 | N447 K448 | N447-H450 PolarHBondContact O-NE2 2.61Å; K448-H450 PolarHBondContact O-N 3.31Å; K448-H450 VanDerWaalsContact O-N 3.12Å | ||
| 451 | H | 70.7 | Confident | 73.1 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 32% | 0.315 | 23% | 0.228 | S | C | . | . | trans | -139.8 | 91.1 | -163.2 | -61.5 | 94.3 | 0 | 0 | 0 | 111.1 | D453 E511 | H451-D453 WeakPolarHBondContact CA-OD1 3.34Å; H451-D453 VanDerWaalsContact CB-OD1 3.25Å; H451-D453 WeakPolarHBondContact CB-OD1 3.39Å; H451-D453 IonicContact CD2-OD1 2.62Å; H451-D453 IonicContact CG-OD1 3.32Å; H451-E511 IonicContact CD2-OE2 3.95Å; H451-E511 IonicContact NE2-OE2 3.67Å; H451-E511 PolarHBondContact NE2-OE2 3.34Å | ||
| 452 | F | 79.5 | Confident | 73.8 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -71.6 | -19.5 | 170.7 | -72.9 | -91.9 | 0 | 0 | 0 | 112 | L449 F457 F495 Y636 | L449-F452 HydrophobicContact CD2-CD1 4.14Å; L449-F452 HydrophobicContact CD2-CE1 3.5Å; L449-F452 HydrophobicContact CD2-CE2 4.15Å; L449-F452 HydrophobicContact CD2-CZ 3.52Å; F452-F457 HydrophobicContact CB-CE1 4.24Å; F452-F457 HydrophobicContact CD1-CE1 4.33Å; F452-F457 WeakPolarHBondContact O-CE1 3.17Å; F452-F495 HydrophobicContact CB-CB 4.13Å; F452-F495 HydrophobicContact CB-CD2 3.46Å; F452-F495 VanDerWaalsContact CB-CD2 3.46Å; F452-F495 HydrophobicContact CB-CE2 4.05Å; F452-F495 HydrophobicContact CB-CG 3.84Å; F452-F495 HydrophobicContact CD1-CD1 4.15Å; F452-F495 HydrophobicContact CD1-CD2 4.02Å; F452-F495 HydrophobicContact CD1-CE1 4.15Å; F452-F495 HydrophobicContact CD1-CE2 4.01Å; F452-F495 HydrophobicContact CD1-CG 4.1Å; F452-F495 HydrophobicContact CD1-CZ 4.08Å; F452-F495 HydrophobicContact CD2-CB 3.59Å; F452-F495 AromaticContact CD2-CD1 3.86Å; F452-F495 HydrophobicContact CD2-CD1 3.86Å; F452-F495 HydrophobicContact CD2-CD2 4.09Å; F452-F495 AromaticContact CD2-CG 3.56Å; F452-F495 HydrophobicContact CD2-CG 3.56Å; F452-F495 HydrophobicContact CE1-CD1 4.17Å; F452-F495 HydrophobicContact CE1-CE1 4.06Å; F452-F495 HydrophobicContact CE1-CZ 4.34Å; F452-F495 HydrophobicContact CE2-CB 4.22Å; F452-F495 AromaticContact CE2-CD1 3.88Å; F452-F495 HydrophobicContact CE2-CD1 3.88Å; F452-F495 HydrophobicContact CE2-CG 4.07Å; F452-F495 HydrophobicContact CG-CB 4Å; F452-F495 AromaticContact CG-CD1 4Å; F452-F495 HydrophobicContact CG-CD1 4Å; F452-F495 AromaticContact CG-CD2 3.61Å; F452-F495 HydrophobicContact CG-CD2 3.61Å; F452-F495 HydrophobicContact CG-CE1 4.43Å; F452-F495 HydrophobicContact CG-CE2 4.08Å; F452-F495 AromaticContact CG-CG 3.57Å; F452-F495 HydrophobicContact CG-CG 3.57Å; F452-F495 HydrophobicContact CG-CZ 4.47Å; F452-F495 HydrophobicContact CZ-CD1 4.02Å; F452-F495 HydrophobicContact CZ-CE1 4.26Å; F452-Y636 HydrophobicContact CD1-CD2 4.46Å; F452-Y636 AromaticContact CD1-CE2 3.84Å; F452-Y636 HydrophobicContact CD1-CE2 3.84Å; F452-Y636 AromaticContact CE1-CD2 3.95Å; F452-Y636 HydrophobicContact CE1-CD2 3.95Å; F452-Y636 AromaticContact CE1-CE2 3.69Å; F452-Y636 HydrophobicContact CE1-CE2 3.69Å |
| 453 | D | 77.7 | Confident | 74.8 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -75.8 | -21.7 | -172.9 | 66.6 | -36 | 0 | 0 | 0 | 114.8 | H451 I508 R510 E511 P551 | H451-D453 WeakPolarHBondContact CA-OD1 3.34Å; H451-D453 VanDerWaalsContact CB-OD1 3.25Å; H451-D453 WeakPolarHBondContact CB-OD1 3.39Å; H451-D453 IonicContact CD2-OD1 2.62Å; H451-D453 IonicContact CG-OD1 3.32Å; D453-I508 HydrophobicContact CB-CG2 3.87Å; D453-R510 HydrophobicContact CB-CG 4.28Å; D453-E511 PolarHBondContact OD2-N 3.19Å; D453-P551 WeakPolarHBondContact O-CB 3.38Å |
| 454 | N | 77.2 | Confident | 76.1 | Confident | 54 Ų | 54 | 43.9 Ų | 43.9 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -109.7 | -2.5 | -170.8 | -71.8 | -52.3 | 0 | 0 | 0 | 114.6 | T513 | N454-T513 WeakPolarHBondContact ND2-CG2 3.42Š|
| 455 | Q | 80.9 | Confident | 77.9 | Confident | 79 Ų | 79 | 36.9 Ų | 36.9 | 37% | 0.369 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -126.3 | 142.8 | -175.2 | -67.5 | -175.1 | -11.5 | 0 | 0 | 111.7 | F457 N638 | Q455-F457 WeakPolarHBondContact O-CD1 3.4Å; Q455-N638 PolarHBondContact OE1-ND2 3.43Å; Q455-N638 PolarHBondContact OE1-OD1 3.22Å |
| 456 | L | 87.5 | Confident | 79.4 | Confident | 61 Ų | 61 | 35.1 Ų | 35.1 | 32% | 0.319 | 17% | 0.168 | S | C | . | . | trans | -60.6 | 134.1 | 168.8 | -66.4 | 160.5 | 0 | 0 | 0 | 109.3 | Y549 R550 P551 G639 Y640 I641 | L456-Y549 WeakPolarHBondContact CA-O 3.47Å; L456-R550 HydrophobicContact CD2-CB 4.13Å; L456-R550 HydrophobicContact CD2-CG 3.94Å; L456-P551 HydrophobicContact CG-CG 4.41Å; L456-G639 CarbonylContact O-C 3.52Å; L456-G639 WeakPolarHBondContact O-CA 3.37Å; L456-G639 PolarHBondContact O-N 3.01Å; L456-Y640 PolarHBondContact O-N 2.97Å; L456-I641 HydrophobicContact CB-CG1 4.18Å; L456-I641 HydrophobicContact CD2-CD1 3.49Å; L456-I641 VanDerWaalsContact CD2-CD1 3.49Å; L456-I641 HydrophobicContact CD2-CG1 4.05Å | ||
| 457 | F | 91.4 | Very high | 80.2 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 163.7 | 174.9 | 67.2 | -104.6 | 0 | 0 | 0 | 113.6 | F452 Q455 I459 F495 I508 Y549 Y636 T637 Y640 | F452-F457 HydrophobicContact CB-CE1 4.24Å; F452-F457 HydrophobicContact CD1-CE1 4.33Å; F452-F457 WeakPolarHBondContact O-CE1 3.17Å; Q455-F457 WeakPolarHBondContact O-CD1 3.4Å; F457-I459 HydrophobicContact CD2-CD1 4.04Å; F457-I459 HydrophobicContact CD2-CG1 3.85Å; F457-I459 HydrophobicContact CE2-CD1 3.65Å; F457-I459 HydrophobicContact CE2-CG1 3.95Å; F457-I459 HydrophobicContact CZ-CD1 4.44Å; F457-F495 AromaticContact CZ-CE2 3.88Å; F457-F495 HydrophobicContact CZ-CE2 3.88Å; F457-F495 HydrophobicContact CZ-CZ 4.4Å; F457-I508 HydrophobicContact CE1-CD1 4.37Å; F457-I508 HydrophobicContact CZ-CD1 4.02Å; F457-Y549 AromaticContact CD1-CD1 3.77Å; F457-Y549 HydrophobicContact CD1-CD1 3.77Å; F457-Y549 HydrophobicContact CD1-CG 4.25Å; F457-Y549 VanDerWaalsContact CE1-CB 3.49Å; F457-Y549 AromaticContact CE1-CD1 3.28Å; F457-Y549 HydrophobicContact CE1-CD1 3.28Å; F457-Y549 HydrophobicContact CE1-CE1 4.22Å; F457-Y549 AromaticContact CE1-CG 3.63Å; F457-Y549 HydrophobicContact CE1-CG 3.63Å; F457-Y549 AromaticContact CZ-CD1 3.94Å; F457-Y549 HydrophobicContact CZ-CD1 3.94Å; F457-Y549 AromaticContact CZ-CG 3.79Å; F457-Y549 HydrophobicContact CZ-CG 3.79Å; F457-Y549 PolarHBondContact N-O 3.49Å; F457-Y549 PolarHBondContact O-N 3.37Å; F457-Y636 HydrophobicContact CB-CD2 4.11Å; F457-Y636 HydrophobicContact CB-CE2 3.39Å; F457-Y636 HydrophobicContact CD1-CE2 4.13Å; F457-Y636 HydrophobicContact CD2-CD2 4.45Å; F457-Y636 HydrophobicContact CD2-CE2 4.16Å; F457-Y636 HydrophobicContact CG-CD2 4.36Å; F457-Y636 AromaticContact CG-CE2 3.66Å; F457-Y636 HydrophobicContact CG-CE2 3.66Å; F457-T637 VanDerWaalsContact CA-O 3.3Å; F457-T637 WeakPolarHBondContact CA-O 3.18Å; F457-T637 WeakPolarHBondContact CB-O 3.44Å; F457-Y640 CarbonylContact C-O 3.53Å; F457-Y640 WeakPolarHBondContact CA-O 3.47Å |
| 458 | T | 93.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.2 | 163.9 | -54.8 | 0 | 0 | 0 | 0 | 109.2 | L547 T548 Y636 T637 Y640 I641 Q642 | T458-L547 CarbonylContact C-O 3.6Å; T458-L547 WeakPolarHBondContact CA-O 3.15Å; T458-T548 HydrophobicContact CG2-CG2 4.08Å; T458-Y636 CarbonylContact O-C 3.54Å; T458-Y636 WeakPolarHBondContact O-CA 3.41Å; T458-T637 WeakPolarHBondContact CA-OG1 3.5Å; T458-T637 WeakPolarHBondContact CB-OG1 3.48Å; T458-T637 PolarHBondContact N-OG1 3.07Å; T458-T637 PolarHBondContact O-N 2.86Å; T458-T637 PolarHBondContact O-OG1 3.31Å; T458-Y640 PolarHBondContact N-O 2.78Å; T458-I641 WeakPolarHBondContact OG1-CA 3.03Å; T458-Q642 HydrophobicContact CG2-CB 4.28Å; T458-Q642 HydrophobicContact CG2-CG 4.4Å; T458-Q642 PolarHBondContact OG1-N 2.87Å |
| 459 | I | 95.2 | Very high | 80.7 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.7 | 170.3 | -63.8 | 166.9 | 0 | 0 | 0 | 107.7 | F457 F461 L482 F495 V497 S546 L547 L634 T635 Y636 | F457-I459 HydrophobicContact CD2-CD1 4.04Å; F457-I459 HydrophobicContact CD2-CG1 3.85Å; F457-I459 HydrophobicContact CE2-CD1 3.65Å; F457-I459 HydrophobicContact CE2-CG1 3.95Å; F457-I459 HydrophobicContact CZ-CD1 4.44Å; I459-F461 HydrophobicContact CG2-CD1 3.97Å; I459-F461 HydrophobicContact CG2-CE1 4.34Å; I459-L482 HydrophobicContact CD1-CD2 4.11Å; I459-F495 HydrophobicContact CD1-CE1 4.16Å; I459-F495 HydrophobicContact CD1-CZ 3.56Å; I459-V497 HydrophobicContact CD1-CG2 4.43Å; I459-S546 CarbonylContact O-C 3.54Å; I459-S546 VanDerWaalsContact O-CA 3.3Å; I459-S546 WeakPolarHBondContact O-CA 3.24Å; I459-L547 HydrophobicContact CB-CB 4.34Å; I459-L547 PolarHBondContact N-O 3.45Å; I459-L547 PolarHBondContact O-N 2.95Å; I459-L634 HydrophobicContact CG2-CD1 3.89Å; I459-T635 CarbonylContact C-O 3.57Å; I459-T635 VanDerWaalsContact CA-O 3.25Å; I459-T635 WeakPolarHBondContact CA-O 3.19Å; I459-Y636 HydrophobicContact CD1-CD2 4.43Å; I459-Y636 HydrophobicContact CG1-CD2 3.86Å |
| 460 | N | 94.3 | Very high | 80.3 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139.4 | 173.3 | -52 | -69.3 | 0 | 0 | 0 | 110.1 | Y545 S546 L634 T635 Q642 | N460-Y545 CarbonylContact C-O 3.51Å; N460-Y545 WeakPolarHBondContact CA-O 3.19Å; N460-S546 VanDerWaalsContact OD1-CB 3.31Å; N460-S546 WeakPolarHBondContact OD1-CB 3.31Å; N460-S546 PolarHBondContact OD1-OG 3.23Å; N460-L634 CarbonylContact O-C 3.56Å; N460-L634 WeakPolarHBondContact O-CA 3.45Å; N460-T635 PolarHBondContact N-O 2.85Å; N460-T635 PolarHBondContact O-N 2.79Å; N460-Q642 PolarHBondContact ND2-OE1 3.42Å |
| 461 | F | 94.9 | Very high | 80 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 147.6 | 170.3 | 57 | -80.3 | 0 | 0 | 0 | 111.6 | I459 M463 I481 V497 L504 Y545 L547 L631 L634 | I459-F461 HydrophobicContact CG2-CD1 3.97Å; I459-F461 HydrophobicContact CG2-CE1 4.34Å; F461-M463 HydrophobicContact CD2-CB 3.96Å; F461-M463 HydrophobicContact CE2-CB 4.06Å; F461-M463 HydrophobicContact CE2-SD 4.42Å; F461-I481 HydrophobicContact CD2-CD1 4.5Å; F461-I481 HydrophobicContact CD2-CG2 4.49Å; F461-I481 HydrophobicContact CE2-CD1 3.66Å; F461-I481 HydrophobicContact CE2-CG2 4.48Å; F461-I481 HydrophobicContact CZ-CD1 3.94Å; F461-V497 HydrophobicContact CE1-CG1 4.44Å; F461-V497 HydrophobicContact CZ-CG1 4.3Å; F461-L504 HydrophobicContact CZ-CD1 4.41Å; F461-Y545 HydrophobicContact CD2-CD2 4.1Å; F461-Y545 HydrophobicContact CD2-CG 4.39Å; F461-Y545 AromaticContact CE2-CD2 3.68Å; F461-Y545 HydrophobicContact CE2-CD2 3.68Å; F461-Y545 AromaticContact CE2-CG 3.71Å; F461-Y545 HydrophobicContact CE2-CG 3.71Å; F461-Y545 HydrophobicContact CZ-CD2 4.3Å; F461-Y545 AromaticContact CZ-CG 3.84Å; F461-Y545 HydrophobicContact CZ-CG 3.84Å; F461-Y545 PolarHBondContact N-O 2.81Å; F461-Y545 PolarHBondContact O-N 2.88Å; F461-L547 HydrophobicContact CE1-CD1 4.25Å; F461-L631 HydrophobicContact CD2-CD2 4.4Å; F461-L634 HydrophobicContact CB-CB 4.02Å; F461-L634 HydrophobicContact CB-CD1 3.62Å; F461-L634 HydrophobicContact CB-CG 4.41Å; F461-L634 HydrophobicContact CD1-CD1 3.97Å; F461-L634 HydrophobicContact CG-CD1 4.01Å |
| 462 | W | 93.5 | Very high | 78.8 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 6% | 0.064 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 133.9 | 163.1 | -64.3 | 85.5 | 0 | 0 | 0 | 108.4 | C365 L367 W542 H543 H544 L631 A632 | C365-W462 HydrophobicContact CB-CH2 4.16Å; C365-W462 HydrophobicContact CB-CZ3 4.4Å; C365-W462 WeakPolarHBondContact SG-CH2 2.99Å; L367-W462 HydrophobicContact CD1-CB 4.16Å; L367-W462 HydrophobicContact CD1-CD2 4.45Å; L367-W462 HydrophobicContact CD1-CE3 4.46Å; L367-W462 HydrophobicContact CD1-CG 4.34Å; L367-W462 HydrophobicContact CD2-CB 4.28Å; L367-W462 HydrophobicContact CD2-CD2 3.38Å; L367-W462 HydrophobicContact CD2-CE3 3.79Å; L367-W462 HydrophobicContact CD2-CG 3.6Å; L367-W462 HydrophobicContact CD2-CZ2 4.24Å; L367-W462 HydrophobicContact CD2-CZ3 4.37Å; W462-W542 HydrophobicContact CB-CE3 3.85Å; W462-W542 HydrophobicContact CB-CZ3 3.72Å; W462-H543 WeakPolarHBondContact CA-O 3.49Å; W462-H544 AromaticContact CD1-CD2 3.84Å; W462-H544 HydrophobicContact CD2-CB 3.96Å; W462-H544 AromaticContact CD2-CD2 3.93Å; W462-H544 AromaticContact CE2-CD2 3.47Å; W462-H544 VanDerWaalsContact CE2-CD2 3.47Å; W462-H544 HydrophobicContact CE3-CB 3.84Å; W462-H544 HydrophobicContact CH2-CB 3.74Å; W462-H544 HydrophobicContact CZ2-CB 3.89Å; W462-H544 AromaticContact CZ2-CD2 3.82Å; W462-H544 HydrophobicContact CZ3-CB 3.74Å; W462-H544 AromaticContact NE1-CD2 3.42Å; W462-H544 PolarHBondContact NE1-CD2 3.01Å; W462-L631 WeakPolarHBondContact O-CA 3.35Å; W462-A632 HydrophobicContact CB-CB 4.13Å; W462-A632 WeakPolarHBondContact CB-O 3.08Å; W462-A632 PolarHBondContact N-O 3.4Å; W462-A632 PolarHBondContact O-N 3.23Å |
| 463 | M | 93.5 | Very high | 77.2 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.6 | 176.3 | -176.1 | -175.5 | 76.8 | 0 | 0 | 110.2 | F461 H465 I481 L499 W542 H543 Y545 F627 Y630 L631 | F461-M463 HydrophobicContact CD2-CB 3.96Å; F461-M463 HydrophobicContact CE2-CB 4.06Å; F461-M463 HydrophobicContact CE2-SD 4.42Å; M463-H465 HydrophobicContact CE-CB 4.41Å; M463-I481 HydrophobicContact SD-CD1 3.62Å; M463-I481 HydrophobicContact SD-CG1 4.46Å; M463-L499 HydrophobicContact CE-CD1 4.1Å; M463-L499 HydrophobicContact CE-CD2 4.2Å; M463-L499 HydrophobicContact SD-CD1 3.89Å; M463-L499 HydrophobicContact SD-CD2 4.24Å; M463-L499 HydrophobicContact SD-CG 4.48Å; M463-W542 VanDerWaalsContact C-CE3 3.48Å; M463-H543 PolarHBondContact N-O 3.33Å; M463-H543 PolarHBondContact O-N 3.14Å; M463-Y545 HydrophobicContact CB-CD2 4.01Å; M463-Y545 HydrophobicContact CB-CE2 3.8Å; M463-Y545 HydrophobicContact CE-CE2 3.82Å; M463-F627 HydrophobicContact CG-CE2 4.21Å; M463-F627 HydrophobicContact CG-CZ 3.77Å; M463-F627 HydrophobicContact SD-CE2 3.84Å; M463-F627 HydrophobicContact SD-CZ 4.04Å; M463-Y630 WeakPolarHBondContact CA-O 2.96Å; M463-L631 HydrophobicContact CB-CD2 4.02Å; M463-L631 HydrophobicContact CG-CD2 3.92Å |
| 464 | K | 91.5 | Very high | 75.9 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 27% | 0.274 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 108.5 | 161.8 | 173.9 | 175.5 | -179.1 | 168.5 | 0 | 108.4 | S540 N541 W542 G629 Y630 | K464-S540 WeakPolarHBondContact CE-O 3.48Å; K464-S540 WeakPolarHBondContact CG-O 3.49Å; K464-N541 WeakPolarHBondContact CA-O 3.09Å; K464-W542 HydrophobicContact CB-CD2 3.54Å; K464-W542 HydrophobicContact CB-CE3 3.79Å; K464-W542 HydrophobicContact CB-CG 3.93Å; K464-W542 HydrophobicContact CB-CH2 4.44Å; K464-W542 HydrophobicContact CB-CZ2 4.21Å; K464-W542 HydrophobicContact CB-CZ3 4.24Å; K464-W542 HydrophobicContact CD-CD2 4.31Å; K464-W542 HydrophobicContact CD-CG 4.16Å; K464-G629 WeakPolarHBondContact O-CA 3.07Å; K464-Y630 HydrophobicContact CB-CD2 4.43Å; K464-Y630 HydrophobicContact CD-CD2 4.37Å; K464-Y630 HydrophobicContact CG-CD2 4.35Å; K464-Y630 PolarHBondContact N-O 3.44Å; K464-Y630 PolarHBondContact O-N 2.9Å |
| 465 | H | 90.8 | Very high | 74.5 | Confident | 9 Ų | 9 | 70 Ų | 70 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 150.7 | -179.4 | -168.6 | -139.6 | 0 | 0 | 0 | 110.9 | M463 F469 E479 V537 S540 F627 V628 | M463-H465 HydrophobicContact CE-CB 4.41Å; H465-F469 AromaticContact CE1-CD2 3.84Å; H465-E479 IonicContact CD2-OE2 2.85Å; H465-E479 IonicContact CE1-OE1 3.91Å; H465-E479 IonicContact NE2-OE1 3.72Å; H465-E479 PolarHBondContact NE2-OE1 3.48Å; H465-E479 IonicContact NE2-OE2 2.76Å; H465-E479 PolarHBondContact NE2-OE2 3.46Å; H465-E479 VanDerWaalsContact NE2-OE2 3.17Å; H465-V537 VanDerWaalsContact CB-O 3.22Å; H465-V537 WeakPolarHBondContact CB-O 3.32Å; H465-S540 WeakPolarHBondContact O-CA 3.26Å; H465-F627 AromaticContact CD2-CE2 3.98Å; H465-V628 PolarHBondContact CD2-O 2.99Å; H465-V628 VanDerWaalsContact CD2-O 3.22Å |
| 466 | S | 85.5 | Confident | 73.4 | Confident | 15 Ų | 15 | 71.9 Ų | 71.9 | 11% | 0.105 | 35% | 0.353 | C | S | . | . | trans | -74.8 | 135.6 | 179.2 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | I468 V628 | S466-I468 PolarHBondContact O-N 3.09Å; S466-I468 PolarHBondContact OG-N 2.93Å; S466-V628 VanDerWaalsContact CB-O 3.26Å; S466-V628 WeakPolarHBondContact CB-O 3.25Å; S466-V628 PolarHBondContact N-O 3.06Å; S466-V628 VanDerWaalsContact N-O 3.16Å | ||
| 467 | S | 74.9 | Confident | 73 | Confident | 96 Ų | 96 | 72.1 Ų | 72.1 | 67% | 0.671 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.3 | 172.3 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | F469 S540 | S467-F469 PolarHBondContact O-N 2.92Å; S467-S540 WeakPolarHBondContact CA-OG 3.42Å; S467-S540 WeakPolarHBondContact CB-OG 2.84Å; S467-S540 PolarHBondContact N-OG 3.45Å |
| 468 | I | 60.4 | Low | 72.9 | Confident | 121 Ų | 121 | 76.7 Ų | 76.7 | 62% | 0.621 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 12.5 | -177.6 | -51.6 | 167.5 | 0 | 0 | 0 | 111.5 | S466 N470 | S466-I468 PolarHBondContact O-N 3.09Å; S466-I468 PolarHBondContact OG-N 2.93Å; I468-N470 PolarHBondContact O-N 2.78Å |
| 469 | F | 52.1 | Low | 72.9 | Confident | 73 Ų | 73 | 76.9 Ų | 76.9 | 32% | 0.32 | 37% | 0.372 | S | S | . | . | trans | -66 | 83 | 167 | -143.8 | -85.5 | 0 | 0 | 0 | 109.6 | H465 S467 R471 L477 E479 | H465-F469 AromaticContact CE1-CD2 3.84Å; S467-F469 PolarHBondContact O-N 2.92Å; F469-R471 PolarHBondContact O-N 2.86Å; F469-L477 HydrophobicContact CZ-CB 4.16Å; F469-E479 WeakPolarHBondContact CD2-OE1 3.33Å; F469-E479 WeakPolarHBondContact CE2-OE1 3.46Å | ||
| 470 | N | 46.3 | Very low | 72.9 | Confident | 106 Ų | 106 | 76.8 Ų | 76.8 | 57% | 0.567 | 37% | 0.372 | S | S | * | . | trans | -59.8 | 101.8 | 176.6 | -123.4 | -19.9 | 0 | 0 | 0 | 106.2 | I468 N472 N473 | I468-N470 PolarHBondContact O-N 2.78Å; N470-N472 PolarHBondContact O-N 3.48Å; N470-N473 PolarHBondContact O-N 3.36Å | ||
| 471 | R | 48.2 | Very low | 73 | Confident | 232 Ų | 232 | 76.6 Ų | 76.6 | 88% | 0.875 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -7.9 | 174.9 | -76.2 | -170.6 | 174 | -158.6 | -1.3 | 114.5 | F469 | F469-R471 PolarHBondContact O-N 2.86Š|
| 472 | N | 47 | Very low | 73 | Confident | 135 Ų | 135 | 76.6 Ų | 76.6 | 72% | 0.722 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -16.5 | -169.3 | -67 | -12.1 | 0 | 0 | 0 | 115.4 | N470 | N470-N472 PolarHBondContact O-N 3.48Š|
| 473 | N | 46.1 | Very low | 73.1 | Confident | 126 Ų | 126 | 75.8 Ų | 75.8 | 67% | 0.674 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -126.2 | 116.2 | -179.9 | -71.6 | -10.7 | 0 | 0 | 0 | 110.8 | N470 | N470-N473 PolarHBondContact O-N 3.36Š|
| 474 | E | 50.2 | Low | 72.9 | Confident | 145 Ų | 145 | 75.7 Ų | 75.7 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | trans | 68.5 | 88.3 | 174.3 | -64.3 | 178.7 | -167.4 | 0 | 0 | 116.9 | N476 L477 | E474-N476 PolarHBondContact O-N 2.93Å; E474-L477 HydrophobicContact CB-CD1 3.54Å; E474-L477 HydrophobicContact CG-CD1 4.38Å; E474-L477 WeakPolarHBondContact OE2-CD1 3.47Å | ||
| 475 | K | 47.1 | Very low | 72.8 | Confident | 181 Ų | 181 | 72.8 Ų | 72.8 | 79% | 0.787 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 11 | 171.9 | -80.4 | -174.7 | 173.6 | -178.9 | 0 | 116.1 | N501 | K475-N501 PolarHBondContact O-OD1 3.27Š|
| 476 | N | 58.9 | Low | 72.5 | Confident | 120 Ų | 120 | 72.4 Ų | 72.4 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.2 | 13.8 | -172.7 | -76.2 | -28.8 | 0 | 0 | 0 | 114.7 | E474 R478 | E474-N476 PolarHBondContact O-N 2.93Å; N476-R478 PolarHBondContact O-N 3.21Å |
| 477 | L | 78.6 | Confident | 72.3 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | trans | -65 | 139.6 | 177.8 | -110.2 | 100.8 | 0 | 0 | 0 | 111.9 | F469 E474 H500 | F469-L477 HydrophobicContact CZ-CB 4.16Å; E474-L477 HydrophobicContact CB-CD1 3.54Å; E474-L477 HydrophobicContact CG-CD1 4.38Å; E474-L477 WeakPolarHBondContact OE2-CD1 3.47Å; L477-H500 PolarHBondContact O-ND1 3.18Å; L477-H500 VanDerWaalsContact O-ND1 3.15Å | ||
| 478 | R | 89.9 | Confident | 72.5 | Confident | 96 Ų | 96 | 75.3 Ų | 75.3 | 36% | 0.362 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 137.2 | 168.2 | -64.7 | -178.3 | -175.5 | 176.3 | 4.6 | 108.1 | N476 F498 L499 H500 Q625 | N476-R478 PolarHBondContact O-N 3.21Å; R478-F498 HydrophobicContact CB-CD2 4.15Å; R478-F498 HydrophobicContact CG-CD2 4.11Å; R478-F498 HydrophobicContact CG-CE2 4.06Å; R478-L499 WeakPolarHBondContact CA-O 3.5Å; R478-H500 HydrophobicContact CG-CB 4.42Å; R478-Q625 HydrophobicContact CB-CB 4.37Å; R478-Q625 HydrophobicContact CB-CG 4.12Å; R478-Q625 CarbonylContact O-C 3.59Å; R478-Q625 VanDerWaalsContact O-CA 3.25Å; R478-Q625 WeakPolarHBondContact O-CA 3.34Å; R478-Q625 WeakPolarHBondContact O-CB 3.35Å |
| 479 | E | 92.7 | Very high | 73.1 | Confident | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.019 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 113.1 | 176.5 | -68.4 | -171.2 | -142.5 | 0 | 0 | 109.6 | H465 F469 F498 L499 F627 V628 | H465-E479 IonicContact CD2-OE2 2.85Å; H465-E479 IonicContact CE1-OE1 3.91Å; H465-E479 IonicContact NE2-OE1 3.72Å; H465-E479 PolarHBondContact NE2-OE1 3.48Å; H465-E479 IonicContact NE2-OE2 2.76Å; H465-E479 PolarHBondContact NE2-OE2 3.46Å; H465-E479 VanDerWaalsContact NE2-OE2 3.17Å; F469-E479 WeakPolarHBondContact CD2-OE1 3.33Å; F469-E479 WeakPolarHBondContact CE2-OE1 3.46Å; E479-F498 CarbonylContact O-C 3.57Å; E479-F498 WeakPolarHBondContact O-CA 3.44Å; E479-F498 VanDerWaalsContact O-CB 3.25Å; E479-F498 WeakPolarHBondContact O-CB 3.4Å; E479-L499 HydrophobicContact CB-CB 4.24Å; E479-L499 PolarHBondContact N-O 2.99Å; E479-L499 PolarHBondContact O-N 3.38Å; E479-F627 HydrophobicContact CB-CD2 4.3Å; E479-F627 WeakPolarHBondContact OE2-CD2 3.28Å; E479-V628 PolarHBondContact OE2-N 2.95Å |
| 480 | N | 95.1 | Very high | 74.3 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.8 | -175.8 | -70.9 | -93.3 | 0 | 0 | 0 | 111.6 | C483 F498 G613 A614 C615 Q625 F627 | N480-C483 HydrophobicContact CB-CB 4.25Å; N480-F498 HydrophobicContact CB-CB 4.4Å; N480-G613 CarbonylContact O-C 3.54Å; N480-G613 WeakPolarHBondContact O-CA 3.46Å; N480-G613 PolarHBondContact O-N 3.23Å; N480-A614 PolarHBondContact O-N 2.88Å; N480-C615 HydrophobicContact CB-CB 4.38Å; N480-Q625 PolarHBondContact N-O 3.42Å; N480-Q625 WeakPolarHBondContact ND2-CB 3.48Å; N480-Q625 PolarHBondContact ND2-O 3.27Å; N480-Q625 PolarHBondContact ND2-OE1 3.19Å; N480-F627 WeakPolarHBondContact O-CB 3.5Å |
| 481 | I | 96.2 | Very high | 75.9 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -49 | 169.3 | -59.6 | 173.8 | 0 | 0 | 0 | 108.9 | F461 M463 V497 L499 L504 V612 G613 F627 L631 | F461-I481 HydrophobicContact CD2-CD1 4.5Å; F461-I481 HydrophobicContact CD2-CG2 4.49Å; F461-I481 HydrophobicContact CE2-CD1 3.66Å; F461-I481 HydrophobicContact CE2-CG2 4.48Å; F461-I481 HydrophobicContact CZ-CD1 3.94Å; M463-I481 HydrophobicContact SD-CD1 3.62Å; M463-I481 HydrophobicContact SD-CG1 4.46Å; I481-V497 HydrophobicContact CB-CG1 4.41Å; I481-V497 WeakPolarHBondContact CB-O 3.36Å; I481-V497 HydrophobicContact CD1-CG1 4.3Å; I481-V497 PolarHBondContact N-O 3.05Å; I481-L499 HydrophobicContact CD1-CD2 4.1Å; I481-L499 HydrophobicContact CD1-CG 4.39Å; I481-L504 HydrophobicContact CD1-CD1 4.19Å; I481-V612 CarbonylContact O-C 3.55Å; I481-V612 VanDerWaalsContact O-CA 3.29Å; I481-V612 WeakPolarHBondContact O-CA 3.37Å; I481-V612 WeakPolarHBondContact O-CG1 3.3Å; I481-G613 PolarHBondContact O-N 3.12Å; I481-F627 HydrophobicContact CG1-CD2 4.24Å; I481-F627 HydrophobicContact CG1-CE2 4.43Å; I481-L631 HydrophobicContact CG2-CD1 3.99Å; I481-L631 HydrophobicContact CG2-CD2 4.09Å |
| 482 | L | 95.1 | Very high | 77.6 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 128.9 | 177.6 | 175.5 | 61.1 | 0 | 0 | 0 | 108.4 | L390 L440 I459 F495 A496 V497 T610 S611 V612 | L390-L482 HydrophobicContact CD1-CD1 4.11Å; L390-L482 HydrophobicContact CD1-CD2 3.68Å; L440-L482 HydrophobicContact CD1-CD1 4.31Å; I459-L482 HydrophobicContact CD1-CD2 4.11Å; L482-F495 HydrophobicContact CD2-CD1 4.44Å; L482-F495 HydrophobicContact CD2-CE1 3.63Å; L482-F495 HydrophobicContact CD2-CZ 4.47Å; L482-F495 HydrophobicContact CG-CD1 4.38Å; L482-F495 HydrophobicContact CG-CE1 3.89Å; L482-A496 CarbonylContact O-C 3.56Å; L482-A496 VanDerWaalsContact O-CA 3.26Å; L482-A496 WeakPolarHBondContact O-CA 3.49Å; L482-V497 HydrophobicContact CB-CB 4.39Å; L482-V497 PolarHBondContact N-O 3.5Å; L482-V497 VanDerWaalsContact N-O 3.16Å; L482-V497 PolarHBondContact O-N 2.76Å; L482-T610 HydrophobicContact CD1-CG2 3.88Å; L482-S611 WeakPolarHBondContact CA-O 3.24Å; L482-V612 HydrophobicContact CD1-CG2 4.09Å |
| 483 | C | 94.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144.3 | 177.4 | -156.6 | 0 | 0 | 0 | 0 | 110.8 | N480 F495 T610 S611 C615 | N480-C483 HydrophobicContact CB-CB 4.25Å; C483-F495 CarbonylContact C-O 3.5Å; C483-T610 CarbonylContact O-C 3.58Å; C483-T610 WeakPolarHBondContact O-CA 3.08Å; C483-T610 WeakPolarHBondContact O-CG2 3.36Å; C483-S611 PolarHBondContact N-O 3.4Å; C483-S611 PolarHBondContact O-N 3.18Å; C483-C615 HydrophobicContact CB-CB 3.46Å; C483-C615 VanDerWaalsContact CB-CB 3.46Å; C483-C615 WeakPolarHBondContact CB-SG 3.05Å; C483-C615 WeakPolarHBondContact SG-CB 3.42Å; C483-C615 CovalentContact SG-SG 2.04Å; C483-C615 PolarHBondContact SG-SG 3.14Å |
| 484 | S | 90.7 | Very high | 81.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 114.7 | 167 | -160.9 | 0 | 0 | 0 | 0 | 107.9 | H493 H494 F495 R609 T610 | S484-H493 CarbonylContact O-C 3.59Å; S484-H494 PolarHBondContact O-N 3.33Å; S484-F495 PolarHBondContact N-O 3.45Å; S484-F495 PolarHBondContact O-N 2.98Å; S484-F495 VanDerWaalsContact O-N 3.17Å; S484-R609 WeakPolarHBondContact CA-O 3.36Å; S484-T610 PolarHBondContact OG-OG1 2.78Å |
| 485 | S | 88.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 164.2 | -178.9 | 57 | 0 | 0 | 0 | 0 | 111.7 | E487 R492 V608 R609 W616 | S485-E487 PolarHBondContact O-N 2.98Å; S485-R492 VanDerWaalsContact CA-O 3.22Å; S485-R492 WeakPolarHBondContact CA-O 3.37Å; S485-R492 VanDerWaalsContact CB-O 3.31Å; S485-R492 WeakPolarHBondContact CB-O 3.46Å; S485-V608 CarbonylContact O-C 3.44Å; S485-V608 VanDerWaalsContact O-CA 3.27Å; S485-V608 WeakPolarHBondContact O-CA 3.23Å; S485-R609 PolarHBondContact N-O 2.81Å; S485-R609 PolarHBondContact O-N 3.06Å; S485-W616 WeakPolarHBondContact CB-O 3.34Å; S485-W616 WeakPolarHBondContact OG-CB 3.24Å; S485-W616 PolarHBondContact OG-O 2.8Å |
| 486 | D | 84.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.7 | 131.8 | 171.5 | -75.8 | -54.2 | 0 | 0 | 0 | 111.1 | K490 R492 H494 W616 V618 | D486-K490 HydrophobicContact CB-CB 4.46Å; D486-K490 WeakPolarHBondContact CB-O 3.43Å; D486-K490 WeakPolarHBondContact OD2-CB 3.5Å; D486-R492 PolarHBondContact N-O 2.77Å; D486-R492 IonicContact OD1-CZ 3.97Å; D486-R492 IonicContact OD1-NE 3.72Å; D486-R492 IonicContact OD1-NH2 2.67Å; D486-R492 PolarHBondContact OD1-NH2 2.98Å; D486-R492 WeakPolarHBondContact OD2-CA 3.3Å; D486-R492 WeakPolarHBondContact OD2-CB 3.14Å; D486-R492 WeakPolarHBondContact OD2-CG 2.99Å; D486-R492 IonicContact OD2-CZ 3.6Å; D486-R492 PolarHBondContact OD2-N 3.04Å; D486-R492 IonicContact OD2-NE 3.62Å; D486-R492 PolarHBondContact OD2-NE 2.94Å; D486-R492 IonicContact OD2-NH2 3.62Å; D486-R492 PolarHBondContact OD2-NH2 2.88Å; D486-H494 IonicContact OD1-CE1 3.32Å; D486-H494 IonicContact OD1-NE2 3.89Å; D486-H494 PolarHBondContact OD1-NE2 3.39Å; D486-H494 IonicContact OD2-NE2 3.33Å; D486-W616 VanDerWaalsContact O-CD1 3.27Å; D486-V618 HydrophobicContact CB-CG2 4.26Å; D486-V618 WeakPolarHBondContact O-CG2 3.47Å |
| 487 | E | 80.7 | Confident | 87.6 | Confident | 36 Ų | 36 | 31.5 Ų | 31.5 | 17% | 0.168 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -77 | -31.8 | 172.4 | -170.3 | 174.9 | 149.4 | 0 | 0 | 111.5 | S485 F607 R609 W616 | S485-E487 PolarHBondContact O-N 2.98Å; E487-F607 HydrophobicContact CB-CB 3.98Å; E487-F607 WeakPolarHBondContact CB-O 3.45Å; E487-F607 PolarHBondContact N-O 2.75Å; E487-F607 VanDerWaalsContact OE2-CB 3.24Å; E487-F607 WeakPolarHBondContact OE2-CB 3.37Å; E487-R609 HydrophobicContact CB-CB 4.32Å; E487-R609 HydrophobicContact CG-CB 4.5Å; E487-W616 PolarHBondContact O-NE1 2.91Å |
| 488 | Y | 80.9 | Confident | 88.4 | Confident | 136 Ų | 136 | 28.6 Ų | 28.6 | 53% | 0.533 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -132.3 | 158 | -173.3 | -55.3 | -76.1 | 0 | 0 | 0 | 112.4 | K490 F607 | Y488-K490 PolarHBondContact O-N 3.24Å; Y488-F607 HydrophobicContact CD2-CB 4.29Å; Y488-F607 HydrophobicContact CD2-CD2 4.35Å; Y488-F607 HydrophobicContact CE2-CB 3.97Å; Y488-F607 AromaticContact CE2-CD2 3.9Å; Y488-F607 HydrophobicContact CE2-CD2 3.9Å; Y488-F607 HydrophobicContact CE2-CG 4.22Å |
| 489 | E | 72.6 | Confident | 88.6 | Confident | 145 Ų | 145 | 24.3 Ų | 24.3 | 68% | 0.678 | 11% | 0.108 | S | C | * | . | S | Bend | trans | 62 | -57.6 | 172.7 | -56.8 | -176.6 | 175.8 | 0 | 0 | 117.2 | ||
| 490 | K | 76.5 | Confident | 88.5 | Confident | 55 Ų | 55 | 26.2 Ų | 26.2 | 24% | 0.239 | 12% | 0.117 | C | C | . | . | trans | -112 | 159.7 | -168.1 | -67.3 | 170.3 | -169 | 152.7 | 0 | 111.1 | D486 Y488 R492 H599 E606 V618 | D486-K490 HydrophobicContact CB-CB 4.46Å; D486-K490 WeakPolarHBondContact CB-O 3.43Å; D486-K490 WeakPolarHBondContact OD2-CB 3.5Å; Y488-K490 PolarHBondContact O-N 3.24Å; K490-R492 HydrophobicContact CB-CG 4.25Å; K490-H599 PolarHBondContact NZ-O 2.9Å; K490-E606 IonicContact NZ-OE1 3.65Å; K490-E606 PolarHBondContact NZ-OE1 2.91Å; K490-V618 WeakPolarHBondContact O-CB 3.28Å; K490-V618 WeakPolarHBondContact O-CG2 2.96Å | ||
| 491 | N | 80.9 | Confident | 88.1 | Confident | 54 Ų | 54 | 30 Ų | 30 | 29% | 0.289 | 14% | 0.137 | S | C | . | . | trans | -105.8 | 43.2 | 177.7 | -86.1 | 2.2 | 0 | 0 | 0 | 111.3 | V618 R619 | N491-V618 VanDerWaalsContact OD1-CA 3.3Å; N491-V618 WeakPolarHBondContact OD1-CA 3.2Å; N491-V618 VanDerWaalsContact OD1-CB 3.27Å; N491-V618 WeakPolarHBondContact OD1-CB 3.25Å; N491-V618 PolarHBondContact OD1-N 2.97Å; N491-R619 VanDerWaalsContact ND2-CB 3.31Å; N491-R619 WeakPolarHBondContact ND2-CB 3.37Å; N491-R619 WeakPolarHBondContact ND2-CD 3.44Å; N491-R619 WeakPolarHBondContact ND2-CG 3.17Å; N491-R619 PolarHBondContact OD1-N 2.94Å | ||
| 492 | R | 83.3 | Confident | 87.8 | Confident | 37 Ų | 37 | 32.8 Ų | 32.8 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | trans | -91.7 | 136.2 | -177.9 | -53.8 | 167.5 | -60.5 | 175.5 | 7 | 109.4 | S485 D486 K490 H494 M597 H599 E606 | S485-R492 VanDerWaalsContact CA-O 3.22Å; S485-R492 WeakPolarHBondContact CA-O 3.37Å; S485-R492 VanDerWaalsContact CB-O 3.31Å; S485-R492 WeakPolarHBondContact CB-O 3.46Å; D486-R492 PolarHBondContact N-O 2.77Å; D486-R492 IonicContact OD1-CZ 3.97Å; D486-R492 IonicContact OD1-NE 3.72Å; D486-R492 IonicContact OD1-NH2 2.67Å; D486-R492 PolarHBondContact OD1-NH2 2.98Å; D486-R492 WeakPolarHBondContact OD2-CA 3.3Å; D486-R492 WeakPolarHBondContact OD2-CB 3.14Å; D486-R492 WeakPolarHBondContact OD2-CG 2.99Å; D486-R492 IonicContact OD2-CZ 3.6Å; D486-R492 PolarHBondContact OD2-N 3.04Å; D486-R492 IonicContact OD2-NE 3.62Å; D486-R492 PolarHBondContact OD2-NE 2.94Å; D486-R492 IonicContact OD2-NH2 3.62Å; D486-R492 PolarHBondContact OD2-NH2 2.88Å; K490-R492 HydrophobicContact CB-CG 4.25Å; R492-H494 PolarHBondContact O-CD2 3.2Å; R492-M597 HydrophobicContact CB-CE 4.29Å; R492-H599 PolarHBondContact NH1-O 2.81Å; R492-E606 IonicContact CZ-OE2 2.89Å; R492-E606 IonicContact NH1-OE2 2.62Å; R492-E606 IonicContact NH2-OE1 3.65Å; R492-E606 PolarHBondContact NH2-OE1 3.27Å; R492-E606 IonicContact NH2-OE2 3.04Å; R492-E606 PolarHBondContact NH2-OE2 2.82Å | ||
| 493 | H | 87.8 | Confident | 87.6 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 9% | 0.093 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.1 | 170.2 | -59.4 | -177.5 | 0 | 0 | 0 | 107 | S484 L507 R509 H617 | S484-H493 CarbonylContact O-C 3.59Å; H493-L507 HydrophobicContact CB-CD2 3.72Å; H493-R509 WeakPolarHBondContact O-CD 3.34Å; H493-H617 AromaticContact CE1-NE2 3.9Å; H493-H617 AromaticContact NE2-CD2 3.79Å; H493-H617 AromaticContact NE2-NE2 3.68Å |
| 494 | H | 87.4 | Confident | 87.7 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -41.4 | -179.2 | -67 | -121.2 | 0 | 0 | 0 | 109.9 | S484 D486 R492 R509 E511 | S484-H494 PolarHBondContact O-N 3.33Å; D486-H494 IonicContact OD1-CE1 3.32Å; D486-H494 IonicContact OD1-NE2 3.89Å; D486-H494 PolarHBondContact OD1-NE2 3.39Å; D486-H494 IonicContact OD2-NE2 3.33Å; R492-H494 PolarHBondContact O-CD2 3.2Å; H494-R509 PolarHBondContact O-N 3.04Å; H494-E511 IonicContact CE1-OE1 3.64Å; H494-E511 IonicContact CG-OE1 3.8Å; H494-E511 IonicContact ND1-OE1 3.84Å; H494-E511 PolarHBondContact ND1-OE1 3Å |
| 495 | F | 91.6 | Very high | 88 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 138.3 | 177.2 | 175.7 | -92.2 | 0 | 0 | 0 | 109.5 | F452 F457 I459 L482 C483 S484 V497 V506 L507 I508 | F452-F495 HydrophobicContact CB-CB 4.13Å; F452-F495 HydrophobicContact CB-CD2 3.46Å; F452-F495 VanDerWaalsContact CB-CD2 3.46Å; F452-F495 HydrophobicContact CB-CE2 4.05Å; F452-F495 HydrophobicContact CB-CG 3.84Å; F452-F495 HydrophobicContact CD1-CD1 4.15Å; F452-F495 HydrophobicContact CD1-CD2 4.02Å; F452-F495 HydrophobicContact CD1-CE1 4.15Å; F452-F495 HydrophobicContact CD1-CE2 4.01Å; F452-F495 HydrophobicContact CD1-CG 4.1Å; F452-F495 HydrophobicContact CD1-CZ 4.08Å; F452-F495 HydrophobicContact CD2-CB 3.59Å; F452-F495 AromaticContact CD2-CD1 3.86Å; F452-F495 HydrophobicContact CD2-CD1 3.86Å; F452-F495 HydrophobicContact CD2-CD2 4.09Å; F452-F495 AromaticContact CD2-CG 3.56Å; F452-F495 HydrophobicContact CD2-CG 3.56Å; F452-F495 HydrophobicContact CE1-CD1 4.17Å; F452-F495 HydrophobicContact CE1-CE1 4.06Å; F452-F495 HydrophobicContact CE1-CZ 4.34Å; F452-F495 HydrophobicContact CE2-CB 4.22Å; F452-F495 AromaticContact CE2-CD1 3.88Å; F452-F495 HydrophobicContact CE2-CD1 3.88Å; F452-F495 HydrophobicContact CE2-CG 4.07Å; F452-F495 HydrophobicContact CG-CB 4Å; F452-F495 AromaticContact CG-CD1 4Å; F452-F495 HydrophobicContact CG-CD1 4Å; F452-F495 AromaticContact CG-CD2 3.61Å; F452-F495 HydrophobicContact CG-CD2 3.61Å; F452-F495 HydrophobicContact CG-CE1 4.43Å; F452-F495 HydrophobicContact CG-CE2 4.08Å; F452-F495 AromaticContact CG-CG 3.57Å; F452-F495 HydrophobicContact CG-CG 3.57Å; F452-F495 HydrophobicContact CG-CZ 4.47Å; F452-F495 HydrophobicContact CZ-CD1 4.02Å; F452-F495 HydrophobicContact CZ-CE1 4.26Å; F457-F495 AromaticContact CZ-CE2 3.88Å; F457-F495 HydrophobicContact CZ-CE2 3.88Å; F457-F495 HydrophobicContact CZ-CZ 4.4Å; I459-F495 HydrophobicContact CD1-CE1 4.16Å; I459-F495 HydrophobicContact CD1-CZ 3.56Å; L482-F495 HydrophobicContact CD2-CD1 4.44Å; L482-F495 HydrophobicContact CD2-CE1 3.63Å; L482-F495 HydrophobicContact CD2-CZ 4.47Å; L482-F495 HydrophobicContact CG-CD1 4.38Å; L482-F495 HydrophobicContact CG-CE1 3.89Å; C483-F495 CarbonylContact C-O 3.5Å; S484-F495 PolarHBondContact N-O 3.45Å; S484-F495 PolarHBondContact O-N 2.98Å; S484-F495 VanDerWaalsContact O-N 3.17Å; F495-V497 HydrophobicContact CE1-CG2 3.93Å; F495-V497 HydrophobicContact CZ-CG2 3.71Å; F495-V506 HydrophobicContact CE2-CG1 4.36Å; F495-L507 CarbonylContact C-O 3.58Å; F495-L507 VanDerWaalsContact CA-O 3.28Å; F495-L507 WeakPolarHBondContact CA-O 3.47Å; F495-I508 HydrophobicContact CD2-CD1 4.48Å; F495-I508 HydrophobicContact CD2-CG1 3.88Å; F495-I508 HydrophobicContact CE2-CD1 4.22Å; F495-I508 HydrophobicContact CE2-CG1 3.95Å |
| 496 | A | 94.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 141.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L482 F498 V506 L507 | L482-A496 CarbonylContact O-C 3.56Å; L482-A496 VanDerWaalsContact O-CA 3.26Å; L482-A496 WeakPolarHBondContact O-CA 3.49Å; A496-F498 HydrophobicContact CB-CD1 3.82Å; A496-F498 HydrophobicContact CB-CE1 4.36Å; A496-V506 CarbonylContact O-C 3.47Å; A496-V506 WeakPolarHBondContact O-CA 3.35Å; A496-L507 HydrophobicContact CB-CB 4.24Å; A496-L507 HydrophobicContact CB-CD2 4.49Å; A496-L507 PolarHBondContact N-O 2.73Å; A496-L507 PolarHBondContact O-N 3.43Å |
| 497 | V | 97.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 113.4 | 163 | -177 | 0 | 0 | 0 | 0 | 106.2 | I459 F461 I481 L482 F495 L504 V505 V506 L547 | I459-V497 HydrophobicContact CD1-CG2 4.43Å; F461-V497 HydrophobicContact CE1-CG1 4.44Å; F461-V497 HydrophobicContact CZ-CG1 4.3Å; I481-V497 HydrophobicContact CB-CG1 4.41Å; I481-V497 WeakPolarHBondContact CB-O 3.36Å; I481-V497 HydrophobicContact CD1-CG1 4.3Å; I481-V497 PolarHBondContact N-O 3.05Å; L482-V497 HydrophobicContact CB-CB 4.39Å; L482-V497 PolarHBondContact N-O 3.5Å; L482-V497 VanDerWaalsContact N-O 3.16Å; L482-V497 PolarHBondContact O-N 2.76Å; F495-V497 HydrophobicContact CE1-CG2 3.93Å; F495-V497 HydrophobicContact CZ-CG2 3.71Å; V497-L504 HydrophobicContact CG1-CD1 3.86Å; V497-V505 WeakPolarHBondContact CA-O 3.13Å; V497-V506 HydrophobicContact CG2-CG1 4.38Å; V497-L547 HydrophobicContact CG1-CD1 3.86Å; V497-L547 HydrophobicContact CG2-CD1 3.77Å |
| 498 | F | 96.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 156.7 | -172.9 | 67.6 | -86 | 0 | 0 | 0 | 112.4 | R478 E479 N480 A496 H500 V505 L507 | R478-F498 HydrophobicContact CB-CD2 4.15Å; R478-F498 HydrophobicContact CG-CD2 4.11Å; R478-F498 HydrophobicContact CG-CE2 4.06Å; E479-F498 CarbonylContact O-C 3.57Å; E479-F498 WeakPolarHBondContact O-CA 3.44Å; E479-F498 VanDerWaalsContact O-CB 3.25Å; E479-F498 WeakPolarHBondContact O-CB 3.4Å; N480-F498 HydrophobicContact CB-CB 4.4Å; A496-F498 HydrophobicContact CB-CD1 3.82Å; A496-F498 HydrophobicContact CB-CE1 4.36Å; F498-H500 HydrophobicContact CD2-CB 4.01Å; F498-H500 HydrophobicContact CE2-CB 3.81Å; F498-V505 HydrophobicContact CD1-CB 4.13Å; F498-V505 HydrophobicContact CD1-CG1 4.28Å; F498-V505 HydrophobicContact CD2-CB 4.09Å; F498-V505 HydrophobicContact CE1-CB 3.79Å; F498-V505 HydrophobicContact CE1-CG1 3.49Å; F498-V505 VanDerWaalsContact CE1-CG1 3.49Å; F498-V505 HydrophobicContact CE2-CB 3.74Å; F498-V505 HydrophobicContact CE2-CG1 3.94Å; F498-V505 HydrophobicContact CE2-CG2 4.06Å; F498-V505 HydrophobicContact CG-CB 4.28Å; F498-V505 HydrophobicContact CZ-CB 3.61Å; F498-V505 HydrophobicContact CZ-CG1 3.3Å; F498-V505 HydrophobicContact CZ-CG2 4.28Å; F498-V505 PolarHBondContact N-O 2.97Å; F498-V505 PolarHBondContact O-N 3.23Å; F498-L507 HydrophobicContact CE1-CB 4.16Å |
| 499 | L | 94.5 | Very high | 89.4 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 137.2 | 172.5 | -48.7 | -177.5 | 0 | 0 | 0 | 109.5 | M463 R478 E479 I481 K503 L504 V537 F627 | M463-L499 HydrophobicContact CE-CD1 4.1Å; M463-L499 HydrophobicContact CE-CD2 4.2Å; M463-L499 HydrophobicContact SD-CD1 3.89Å; M463-L499 HydrophobicContact SD-CD2 4.24Å; M463-L499 HydrophobicContact SD-CG 4.48Å; R478-L499 WeakPolarHBondContact CA-O 3.5Å; E479-L499 HydrophobicContact CB-CB 4.24Å; E479-L499 PolarHBondContact N-O 2.99Å; E479-L499 PolarHBondContact O-N 3.38Å; I481-L499 HydrophobicContact CD1-CD2 4.1Å; I481-L499 HydrophobicContact CD1-CG 4.39Å; L499-K503 WeakPolarHBondContact CA-O 3.5Å; L499-L504 HydrophobicContact CD2-CB 4.47Å; L499-L504 HydrophobicContact CD2-CD1 3.71Å; L499-V537 HydrophobicContact CD1-CG1 4.27Å; L499-V537 HydrophobicContact CD2-CG1 3.83Å; L499-V537 HydrophobicContact CG-CG1 4.48Å; L499-F627 HydrophobicContact CD1-CD2 4.36Å; L499-F627 HydrophobicContact CD1-CE2 3.92Å |
| 500 | H | 90.7 | Very high | 89.6 | Confident | 44 Ų | 44 | 24.9 Ų | 24.9 | 20% | 0.204 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 121.8 | 174 | -177.9 | 59.7 | 0 | 0 | 0 | 110 | L477 R478 F498 C502 K503 V505 | L477-H500 PolarHBondContact O-ND1 3.18Å; L477-H500 VanDerWaalsContact O-ND1 3.15Å; R478-H500 HydrophobicContact CG-CB 4.42Å; F498-H500 HydrophobicContact CD2-CB 4.01Å; F498-H500 HydrophobicContact CE2-CB 3.81Å; H500-C502 VanDerWaalsContact C-N 3.3Å; H500-C502 PolarHBondContact O-N 3.36Å; H500-K503 PolarHBondContact N-O 2.94Å; H500-K503 WeakPolarHBondContact O-CB 3.24Å; H500-K503 PolarHBondContact O-N 3.01Å; H500-V505 HydrophobicContact CB-CG2 4.3Å |
| 501 | N | 86.8 | Confident | 89.4 | Confident | 80 Ų | 80 | 23 Ų | 23 | 43% | 0.428 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 46.6 | -179.4 | -65.8 | -23.8 | 0 | 0 | 0 | 113.4 | K475 K503 | K475-N501 PolarHBondContact O-OD1 3.27Å; N501-K503 PolarHBondContact O-N 2.76Å |
| 502 | C | 88.5 | Confident | 88.5 | Confident | 58 Ų | 58 | 21.9 Ų | 21.9 | 39% | 0.392 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 19.3 | -175.7 | -66.1 | 0 | 0 | 0 | 0 | 115.8 | H500 C538 | H500-C502 VanDerWaalsContact C-N 3.3Å; H500-C502 PolarHBondContact O-N 3.36Å; C502-C538 WeakPolarHBondContact CA-SG 3.48Å; C502-C538 HydrophobicContact CB-CB 3.77Å; C502-C538 WeakPolarHBondContact CB-SG 3.43Å; C502-C538 WeakPolarHBondContact SG-CB 3.25Å; C502-C538 CovalentContact SG-SG 2.04Å; C502-C538 PolarHBondContact SG-SG 2.53Å |
| 503 | K | 91.9 | Very high | 87.3 | Confident | 44 Ų | 44 | 23.4 Ų | 23.4 | 19% | 0.191 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140 | 172.7 | -56.1 | -168.7 | 177.2 | -149.5 | 0 | 110.1 | L499 H500 N501 V505 F532 D533 | L499-K503 WeakPolarHBondContact CA-O 3.5Å; H500-K503 PolarHBondContact N-O 2.94Å; H500-K503 WeakPolarHBondContact O-CB 3.24Å; H500-K503 PolarHBondContact O-N 3.01Å; N501-K503 PolarHBondContact O-N 2.76Å; K503-V505 HydrophobicContact CB-CG2 4.32Å; K503-F532 CarbonylContact C-O 3.56Å; K503-F532 VanDerWaalsContact CA-O 3.28Å; K503-F532 WeakPolarHBondContact CA-O 3.37Å; K503-F532 WeakPolarHBondContact CB-O 3.48Å; K503-D533 HydrophobicContact CD-CB 4.42Å; K503-D533 VanDerWaalsContact CE-CG 3.49Å; K503-D533 WeakPolarHBondContact CE-OD2 3.45Å; K503-D533 IonicContact NZ-OD1 2.75Å; K503-D533 IonicContact NZ-OD2 2.72Å; K503-D533 PolarHBondContact NZ-OD2 3.07Å |
| 504 | L | 96 | Very high | 85.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 121.3 | 167.3 | 179.4 | 67.6 | 0 | 0 | 0 | 108.1 | F461 I481 V497 L499 F532 V537 Y545 L547 L575 | F461-L504 HydrophobicContact CZ-CD1 4.41Å; I481-L504 HydrophobicContact CD1-CD1 4.19Å; V497-L504 HydrophobicContact CG1-CD1 3.86Å; L499-L504 HydrophobicContact CD2-CB 4.47Å; L499-L504 HydrophobicContact CD2-CD1 3.71Å; L504-F532 HydrophobicContact CB-CB 4.29Å; L504-F532 PolarHBondContact N-O 3.11Å; L504-F532 PolarHBondContact O-N 3.2Å; L504-V537 HydrophobicContact CB-CG2 3.85Å; L504-Y545 HydrophobicContact CD2-CD1 3.77Å; L504-Y545 HydrophobicContact CD2-CE1 4.27Å; L504-L547 HydrophobicContact CD2-CD2 4.4Å; L504-L575 HydrophobicContact CD2-CD1 3.88Å; L504-L575 HydrophobicContact CD2-CD2 4.05Å |
| 505 | V | 96.1 | Very high | 84.3 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130 | -175.9 | -173.8 | 0 | 0 | 0 | 0 | 110 | V497 F498 H500 K503 Q529 W530 R531 | V497-V505 WeakPolarHBondContact CA-O 3.13Å; F498-V505 HydrophobicContact CD1-CB 4.13Å; F498-V505 HydrophobicContact CD1-CG1 4.28Å; F498-V505 HydrophobicContact CD2-CB 4.09Å; F498-V505 HydrophobicContact CE1-CB 3.79Å; F498-V505 HydrophobicContact CE1-CG1 3.49Å; F498-V505 VanDerWaalsContact CE1-CG1 3.49Å; F498-V505 HydrophobicContact CE2-CB 3.74Å; F498-V505 HydrophobicContact CE2-CG1 3.94Å; F498-V505 HydrophobicContact CE2-CG2 4.06Å; F498-V505 HydrophobicContact CG-CB 4.28Å; F498-V505 HydrophobicContact CZ-CB 3.61Å; F498-V505 HydrophobicContact CZ-CG1 3.3Å; F498-V505 HydrophobicContact CZ-CG2 4.28Å; F498-V505 PolarHBondContact N-O 2.97Å; F498-V505 PolarHBondContact O-N 3.23Å; H500-V505 HydrophobicContact CB-CG2 4.3Å; K503-V505 HydrophobicContact CB-CG2 4.32Å; V505-Q529 HydrophobicContact CG1-CG 3.69Å; V505-Q529 VanDerWaalsContact CG1-NE2 3.27Å; V505-W530 CarbonylContact C-O 3.6Å; V505-W530 VanDerWaalsContact CA-O 3.3Å; V505-W530 WeakPolarHBondContact CA-O 3.36Å; V505-R531 HydrophobicContact CG1-CG 4.11Å; V505-R531 HydrophobicContact CG2-CB 4.4Å; V505-R531 HydrophobicContact CG2-CG 4.12Å |
| 506 | V | 95.9 | Very high | 82.4 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.6 | 171 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | F495 A496 V497 I508 Q529 W530 F532 L547 L573 | F495-V506 HydrophobicContact CE2-CG1 4.36Å; A496-V506 CarbonylContact O-C 3.47Å; A496-V506 WeakPolarHBondContact O-CA 3.35Å; V497-V506 HydrophobicContact CG2-CG1 4.38Å; V506-I508 HydrophobicContact CG1-CD1 4.35Å; V506-I508 HydrophobicContact CG1-CG1 4.09Å; V506-Q529 CarbonylContact O-C 3.57Å; V506-Q529 VanDerWaalsContact O-CA 3.24Å; V506-Q529 WeakPolarHBondContact O-CA 3.44Å; V506-W530 PolarHBondContact N-O 2.9Å; V506-W530 PolarHBondContact O-N 3.07Å; V506-F532 HydrophobicContact CG2-CE2 4.24Å; V506-L547 HydrophobicContact CG2-CD1 3.63Å; V506-L547 HydrophobicContact CG2-CD2 3.79Å; V506-L547 HydrophobicContact CG2-CG 4.34Å; V506-L573 HydrophobicContact CB-CD1 4.04Å; V506-L573 HydrophobicContact CB-CD2 4.5Å; V506-L573 HydrophobicContact CG1-CD1 3.66Å; V506-L573 HydrophobicContact CG2-CD1 4.49Å; V506-L573 HydrophobicContact CG2-CD2 4.32Å |
| 507 | L | 94 | Very high | 80.4 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.1 | 174.9 | 176.1 | 72.4 | 0 | 0 | 0 | 108.4 | H493 F495 A496 F498 R509 S528 Q529 | H493-L507 HydrophobicContact CB-CD2 3.72Å; F495-L507 CarbonylContact C-O 3.58Å; F495-L507 VanDerWaalsContact CA-O 3.28Å; F495-L507 WeakPolarHBondContact CA-O 3.47Å; A496-L507 HydrophobicContact CB-CB 4.24Å; A496-L507 HydrophobicContact CB-CD2 4.49Å; A496-L507 PolarHBondContact N-O 2.73Å; A496-L507 PolarHBondContact O-N 3.43Å; F498-L507 HydrophobicContact CE1-CB 4.16Å; L507-R509 HydrophobicContact CD1-CG 4.05Å; L507-R509 HydrophobicContact CG-CG 4.27Å; L507-S528 CarbonylContact C-O 3.34Å; L507-S528 WeakPolarHBondContact CA-O 3.29Å; L507-Q529 HydrophobicContact CD1-CB 4.22Å |
| 508 | I | 91.1 | Very high | 78.1 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 105 | 172.5 | -49.8 | -175.3 | 0 | 0 | 0 | 107 | D453 F457 F495 V506 S528 W530 Y549 L573 | D453-I508 HydrophobicContact CB-CG2 3.87Å; F457-I508 HydrophobicContact CE1-CD1 4.37Å; F457-I508 HydrophobicContact CZ-CD1 4.02Å; F495-I508 HydrophobicContact CD2-CD1 4.48Å; F495-I508 HydrophobicContact CD2-CG1 3.88Å; F495-I508 HydrophobicContact CE2-CD1 4.22Å; F495-I508 HydrophobicContact CE2-CG1 3.95Å; V506-I508 HydrophobicContact CG1-CD1 4.35Å; V506-I508 HydrophobicContact CG1-CG1 4.09Å; I508-S528 CarbonylContact C-O 3.47Å; I508-S528 PolarHBondContact N-O 3.44Å; I508-S528 VanDerWaalsContact O-CA 3.27Å; I508-S528 WeakPolarHBondContact O-CA 3.14Å; I508-W530 HydrophobicContact CB-CZ3 4Å; I508-W530 HydrophobicContact CD1-CZ3 4.06Å; I508-W530 HydrophobicContact CG1-CZ3 3.92Å; I508-Y549 HydrophobicContact CD1-CD1 4.22Å; I508-Y549 HydrophobicContact CD1-CD2 3.7Å; I508-Y549 HydrophobicContact CD1-CE1 4.2Å; I508-Y549 HydrophobicContact CD1-CE2 3.69Å; I508-Y549 HydrophobicContact CD1-CG 3.96Å; I508-L573 HydrophobicContact CD1-CD1 3.79Å |
| 509 | R | 84.6 | Confident | 75.9 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 31% | 0.306 | 26% | 0.256 | S | S | . | . | trans | -92.4 | 131.4 | 173.4 | -64.2 | -168.4 | 177.3 | 174 | -7.2 | 109.1 | H493 H494 L507 M597 | H493-R509 WeakPolarHBondContact O-CD 3.34Å; H494-R509 PolarHBondContact O-N 3.04Å; L507-R509 HydrophobicContact CD1-CG 4.05Å; L507-R509 HydrophobicContact CG-CG 4.27Å; R509-M597 HydrophobicContact CB-CG 4.26Å; R509-M597 HydrophobicContact CB-SD 3.73Å; R509-M597 HydrophobicContact CG-SD 4.48Å | ||
| 510 | R | 76.6 | Confident | 73.8 | Confident | 16 Ų | 16 | 49 Ų | 49 | 6% | 0.06 | 27% | 0.273 | C | S | . | . | trans | -77.6 | 138.9 | 178.8 | -76.6 | -156.4 | 167.6 | 108 | 28.9 | 112.4 | D453 Y549 P596 M597 | D453-R510 HydrophobicContact CB-CG 4.28Å; R510-Y549 PolarHBondContact NH2-OH 2.72Å; R510-P596 HydrophobicContact CB-CB 4.25Å; R510-M597 PolarHBondContact O-N 2.62Å | ||
| 511 | E | 71.4 | Confident | 71.9 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | trans | -108.1 | 132.4 | 176.3 | -76 | -173.5 | -131.3 | 0 | 0 | 110.4 | H451 D453 H494 T513 L600 | H451-E511 IonicContact CD2-OE2 3.95Å; H451-E511 IonicContact NE2-OE2 3.67Å; H451-E511 PolarHBondContact NE2-OE2 3.34Å; D453-E511 PolarHBondContact OD2-N 3.19Å; H494-E511 IonicContact CE1-OE1 3.64Å; H494-E511 IonicContact CG-OE1 3.8Å; H494-E511 IonicContact ND1-OE1 3.84Å; H494-E511 PolarHBondContact ND1-OE1 3Å; E511-T513 PolarHBondContact O-N 3.47Å; E511-L600 HydrophobicContact CB-CD1 3.82Å; E511-L600 HydrophobicContact CG-CD1 4.04Å; E511-L600 HydrophobicContact CG-CD2 4.22Å | ||
| 512 | P | 62.7 | Low | 70.3 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 21% | 0.208 | 30% | 0.303 | C | S | . | . | trans | -64.6 | 121.3 | 177.1 | 22 | -31.3 | 0 | 0 | 0 | 111 | L518 M597 L600 | P512-L518 HydrophobicContact CG-CD2 4.27Å; P512-M597 WeakPolarHBondContact CD-O 3.48Å; P512-M597 WeakPolarHBondContact CG-O 3.43Å; P512-L600 HydrophobicContact CG-CD1 3.81Å; P512-L600 HydrophobicContact CG-CG 4.13Å | ||
| 513 | T | 58.4 | Low | 68.9 | Low | 68 Ų | 68 | 55.8 Ų | 55.8 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -78.6 | -23.1 | -177.4 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | N454 E511 | N454-T513 WeakPolarHBondContact ND2-CG2 3.42Å; E511-T513 PolarHBondContact O-N 3.47Å |
| 514 | N | 57.3 | Low | 67.7 | Low | 85 Ų | 85 | 55.5 Ų | 55.5 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -133.3 | 136.5 | -180 | -72 | -42.8 | 0 | 0 | 0 | 111.3 | S516 I517 | N514-S516 PolarHBondContact O-N 2.86Å; N514-S516 VanDerWaalsContact O-N 3.14Å; N514-I517 HydrophobicContact CB-CD1 4.03Å; N514-I517 HydrophobicContact CB-CG1 4.22Å; N514-I517 PolarHBondContact O-N 3.14Å; N514-I517 VanDerWaalsContact O-N 3.15Å |
| 515 | E | 54.4 | Low | 66.6 | Low | 137 Ų | 137 | 59.7 Ų | 59.7 | 64% | 0.64 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -55.3 | -30.4 | 174.7 | -69 | 174.8 | -159.3 | 0 | 0 | 113 | I517 L518 V602 | E515-I517 PolarHBondContact O-N 3.16Å; E515-L518 PolarHBondContact O-N 3.26Å; E515-V602 HydrophobicContact CG-CG1 3.88Å; E515-V602 HydrophobicContact CG-CG2 4.05Å; E515-V602 WeakPolarHBondContact OE1-CG1 3.24Å |
| 516 | S | 52.3 | Low | 65.7 | Low | 88 Ų | 88 | 60.1 Ų | 60.1 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -68.6 | -12.3 | -178.4 | 64.3 | 0 | 0 | 0 | 0 | 114.5 | N514 S519 | N514-S516 PolarHBondContact O-N 2.86Å; N514-S516 VanDerWaalsContact O-N 3.14Å; S516-S519 PolarHBondContact O-OG 3.1Å; S516-S519 VanDerWaalsContact O-OG 3.09Å |
| 517 | I | 51.4 | Low | 65.2 | Low | 33 Ų | 33 | 60.8 Ų | 60.8 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -89.8 | -20.7 | -178.5 | -57.2 | 171.1 | 0 | 0 | 0 | 111 | N514 E515 S519 S520 N558 | N514-I517 HydrophobicContact CB-CD1 4.03Å; N514-I517 HydrophobicContact CB-CG1 4.22Å; N514-I517 PolarHBondContact O-N 3.14Å; N514-I517 VanDerWaalsContact O-N 3.15Å; E515-I517 PolarHBondContact O-N 3.16Å; I517-S519 PolarHBondContact O-N 3.43Å; I517-S519 VanDerWaalsContact O-N 3.1Å; I517-S520 PolarHBondContact O-N 3.03Å; I517-S520 PolarHBondContact O-OG 2.81Å; I517-N558 WeakPolarHBondContact CD1-OD1 3.17Å |
| 518 | L | 49.3 | Very low | 65 | Low | 75 Ų | 75 | 60.6 Ų | 60.6 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.3 | 175.9 | -70.4 | 165.8 | 0 | 0 | 0 | 112.9 | P512 E515 V602 | P512-L518 HydrophobicContact CG-CD2 4.27Å; E515-L518 PolarHBondContact O-N 3.26Å; L518-V602 HydrophobicContact CD1-CG2 4.2Å |
| 519 | S | 50.2 | Low | 65 | Low | 104 Ų | 104 | 61.9 Ų | 61.9 | 73% | 0.727 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.5 | 175.1 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | S516 I517 | S516-S519 PolarHBondContact O-OG 3.1Å; S516-S519 VanDerWaalsContact O-OG 3.09Å; I517-S519 PolarHBondContact O-N 3.43Å; I517-S519 VanDerWaalsContact O-N 3.1Å |
| 520 | S | 50.4 | Low | 65.5 | Low | 56 Ų | 56 | 58.2 Ų | 58.2 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -88.8 | 120.6 | 172.1 | 66.1 | 0 | 0 | 0 | 0 | 109.1 | I517 S522 | I517-S520 PolarHBondContact O-N 3.03Å; I517-S520 PolarHBondContact O-OG 2.81Å; S520-S522 PolarHBondContact O-N 2.8Å |
| 521 | D | 51 | Low | 66.3 | Low | 171 Ų | 171 | 62.3 Ų | 62.3 | 91% | 0.914 | 35% | 0.354 | S | S | * | . | trans | -66.1 | 47.5 | 166.9 | -77.7 | -32 | 0 | 0 | 0 | 111 | S523 | D521-S523 VanDerWaalsContact C-N 3.31Å; D521-S523 PolarHBondContact O-N 2.91Å | ||
| 522 | S | 53.7 | Low | 67.4 | Low | 48 Ų | 48 | 61.8 Ų | 61.8 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | trans | -73.9 | 90.9 | 174.2 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | S520 Q524 M595 | S520-S522 PolarHBondContact O-N 2.8Å; S522-Q524 PolarHBondContact O-N 3.01Å; S522-M595 WeakPolarHBondContact O-CE 3.39Å | ||
| 523 | S | 59.3 | Low | 68.8 | Low | 104 Ų | 104 | 63 Ų | 63 | 73% | 0.727 | 36% | 0.356 | S | S | * | . | trans | -71.5 | 26.2 | 173.9 | 68 | 0 | 0 | 0 | 0 | 113.3 | D521 L525 M595 | D521-S523 VanDerWaalsContact C-N 3.31Å; D521-S523 PolarHBondContact O-N 2.91Å; S523-L525 PolarHBondContact O-N 2.86Å; S523-M595 VanDerWaalsContact C-SD 3.54Å | ||
| 524 | Q | 66.8 | Low | 70.4 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | trans | -84 | 111.1 | -171.7 | -169.7 | 177.4 | -5.8 | 0 | 0 | 110.3 | S522 L526 L563 | S522-Q524 PolarHBondContact O-N 3.01Å; Q524-L526 HydrophobicContact CG-CD2 4.11Å; Q524-L526 HydrophobicContact CG-CG 4.41Å; Q524-L563 VanDerWaalsContact NE2-CB 3.31Å | ||
| 525 | L | 73.1 | Confident | 71.9 | Confident | 88 Ų | 88 | 63 Ų | 63 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | trans | -68.3 | 134.8 | 168.1 | -64.6 | 175 | 0 | 0 | 0 | 109.3 | S523 E593 M595 | S523-L525 PolarHBondContact O-N 2.86Å; L525-E593 HydrophobicContact CB-CB 3.83Å; L525-E593 WeakPolarHBondContact CB-OE2 3.05Å; L525-M595 HydrophobicContact CD2-CG 3.9Å; L525-M595 HydrophobicContact CD2-SD 4.03Å | ||
| 526 | L | 76.9 | Confident | 73.7 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.3 | -178.9 | -65.5 | 165.8 | 0 | 0 | 0 | 109.5 | Q524 S528 I571 E593 N594 P596 | Q524-L526 HydrophobicContact CG-CD2 4.11Å; Q524-L526 HydrophobicContact CG-CG 4.41Å; L526-S528 PolarHBondContact O-N 2.87Å; L526-I571 HydrophobicContact CD2-CD1 4.38Å; L526-E593 CarbonylContact O-C 3.6Å; L526-E593 WeakPolarHBondContact O-CA 3.47Å; L526-E593 WeakPolarHBondContact O-CB 3.5Å; L526-N594 PolarHBondContact N-O 2.8Å; L526-N594 VanDerWaalsContact N-O 3.08Å; L526-N594 PolarHBondContact O-N 3.29Å; L526-P596 HydrophobicContact CD1-CG 4.13Å |
| 527 | P | 85.3 | Confident | 75.5 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 10% | 0.104 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.5 | 123.7 | 174.4 | -29 | 35.8 | 0 | 0 | 0 | 111.1 | W530 I571 I591 | P527-W530 HydrophobicContact CB-CH2 3.88Å; P527-W530 HydrophobicContact CB-CZ2 3.45Å; P527-W530 VanDerWaalsContact CB-CZ2 3.45Å; P527-W530 WeakPolarHBondContact O-CH2 3.27Å; P527-I571 HydrophobicContact CG-CD1 4.36Å; P527-I591 HydrophobicContact CB-CG2 3.84Å; P527-I591 HydrophobicContact CG-CG2 4.4Å |
| 528 | S | 88.2 | Confident | 77.1 | Confident | 5 Ų | 5 | 56 Ų | 56 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | -21.4 | -174.1 | 68.5 | 0 | 0 | 0 | 0 | 113.1 | L507 I508 L526 A592 N594 | L507-S528 CarbonylContact C-O 3.34Å; L507-S528 WeakPolarHBondContact CA-O 3.29Å; I508-S528 CarbonylContact C-O 3.47Å; I508-S528 PolarHBondContact N-O 3.44Å; I508-S528 VanDerWaalsContact O-CA 3.27Å; I508-S528 WeakPolarHBondContact O-CA 3.14Å; L526-S528 PolarHBondContact O-N 2.87Å; S528-A592 PolarHBondContact N-O 3.34Å; S528-A592 PolarHBondContact OG-O 2.83Å; S528-N594 WeakPolarHBondContact OG-CB 3.27Å; S528-N594 PolarHBondContact OG-N 2.81Å; S528-N594 PolarHBondContact OG-ND2 2.91Å |
| 529 | Q | 92.1 | Very high | 79 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 131.4 | 179.9 | -178.6 | 179 | -16.8 | 0 | 0 | 110.5 | V505 V506 L507 R531 I591 A592 | V505-Q529 HydrophobicContact CG1-CG 3.69Å; V505-Q529 VanDerWaalsContact CG1-NE2 3.27Å; V506-Q529 CarbonylContact O-C 3.57Å; V506-Q529 VanDerWaalsContact O-CA 3.24Å; V506-Q529 WeakPolarHBondContact O-CA 3.44Å; L507-Q529 HydrophobicContact CD1-CB 4.22Å; Q529-R531 HydrophobicContact CG-CG 4.34Å; Q529-I591 CarbonylContact O-C 3.53Å; Q529-I591 WeakPolarHBondContact O-CA 3.21Å; Q529-A592 HydrophobicContact CB-CB 4.25Å; Q529-A592 PolarHBondContact N-O 2.81Å; Q529-A592 PolarHBondContact O-N 2.81Å |
| 530 | W | 94.4 | Very high | 80.7 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.3 | 175.7 | -63.8 | -103.4 | 0 | 0 | 0 | 108.4 | V505 V506 I508 P527 F532 Y549 I571 L573 Q590 I591 | V505-W530 CarbonylContact C-O 3.6Å; V505-W530 VanDerWaalsContact CA-O 3.3Å; V505-W530 WeakPolarHBondContact CA-O 3.36Å; V506-W530 PolarHBondContact N-O 2.9Å; V506-W530 PolarHBondContact O-N 3.07Å; I508-W530 HydrophobicContact CB-CZ3 4Å; I508-W530 HydrophobicContact CD1-CZ3 4.06Å; I508-W530 HydrophobicContact CG1-CZ3 3.92Å; P527-W530 HydrophobicContact CB-CH2 3.88Å; P527-W530 HydrophobicContact CB-CZ2 3.45Å; P527-W530 VanDerWaalsContact CB-CZ2 3.45Å; P527-W530 WeakPolarHBondContact O-CH2 3.27Å; W530-F532 HydrophobicContact CB-CD2 4.48Å; W530-F532 HydrophobicContact CB-CE2 3.69Å; W530-F532 HydrophobicContact CB-CZ 4.01Å; W530-Y549 HydrophobicContact CH2-CE2 4.16Å; W530-I571 HydrophobicContact CZ2-CG2 4.27Å; W530-L573 HydrophobicContact CB-CD2 4.17Å; W530-L573 HydrophobicContact CD2-CB 3.87Å; W530-L573 HydrophobicContact CD2-CD1 3.98Å; W530-L573 HydrophobicContact CD2-CD2 4.37Å; W530-L573 HydrophobicContact CD2-CG 4.29Å; W530-L573 HydrophobicContact CE3-CB 4.48Å; W530-L573 HydrophobicContact CE3-CD1 3.84Å; W530-L573 HydrophobicContact CG-CB 4.12Å; W530-L573 HydrophobicContact CG-CD1 4.47Å; W530-L573 HydrophobicContact CG-CD2 4.03Å; W530-L573 HydrophobicContact CG-CG 4.42Å; W530-L573 HydrophobicContact CZ2-CB 4.02Å; W530-L573 HydrophobicContact CZ3-CD1 4.22Å; W530-Q590 CarbonylContact C-O 3.54Å; W530-Q590 WeakPolarHBondContact CA-O 3.42Å; W530-I591 HydrophobicContact CG-CG1 4.5Å |
| 531 | R | 93.7 | Very high | 82.5 | Confident | 101 Ų | 101 | 53.2 Ų | 53.2 | 38% | 0.381 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 110.9 | 178 | -54.9 | 176.5 | 179.1 | 177.4 | -1.1 | 108.4 | V505 Q529 V589 Q590 | V505-R531 HydrophobicContact CG1-CG 4.11Å; V505-R531 HydrophobicContact CG2-CB 4.4Å; V505-R531 HydrophobicContact CG2-CG 4.12Å; Q529-R531 HydrophobicContact CG-CG 4.34Å; R531-V589 WeakPolarHBondContact O-CA 3.27Å; R531-Q590 HydrophobicContact CB-CB 4.25Å; R531-Q590 PolarHBondContact N-O 2.9Å; R531-Q590 PolarHBondContact O-N 2.94Å |
| 532 | F | 95.3 | Very high | 84.2 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.4 | 177.5 | -61 | -83.3 | 0 | 0 | 0 | 109.6 | K503 L504 V506 W530 L547 L573 L575 L588 V589 | K503-F532 CarbonylContact C-O 3.56Å; K503-F532 VanDerWaalsContact CA-O 3.28Å; K503-F532 WeakPolarHBondContact CA-O 3.37Å; K503-F532 WeakPolarHBondContact CB-O 3.48Å; L504-F532 HydrophobicContact CB-CB 4.29Å; L504-F532 PolarHBondContact N-O 3.11Å; L504-F532 PolarHBondContact O-N 3.2Å; V506-F532 HydrophobicContact CG2-CE2 4.24Å; W530-F532 HydrophobicContact CB-CD2 4.48Å; W530-F532 HydrophobicContact CB-CE2 3.69Å; W530-F532 HydrophobicContact CB-CZ 4.01Å; F532-L547 HydrophobicContact CE2-CD2 4.42Å; F532-L573 HydrophobicContact CE2-CD2 3.57Å; F532-L573 HydrophobicContact CZ-CD2 3.45Å; F532-L573 VanDerWaalsContact CZ-CD2 3.45Å; F532-L575 HydrophobicContact CB-CD2 3.69Å; F532-L575 HydrophobicContact CD1-CB 3.7Å; F532-L575 HydrophobicContact CD1-CD2 3.69Å; F532-L575 HydrophobicContact CD1-CG 4.36Å; F532-L575 HydrophobicContact CD2-CB 4.34Å; F532-L575 HydrophobicContact CD2-CD2 4.11Å; F532-L575 HydrophobicContact CE1-CB 3.52Å; F532-L575 HydrophobicContact CE1-CD2 4.39Å; F532-L575 HydrophobicContact CE2-CB 4.18Å; F532-L575 HydrophobicContact CG-CB 4.14Å; F532-L575 HydrophobicContact CG-CD2 3.55Å; F532-L575 HydrophobicContact CG-CG 4.48Å; F532-L575 HydrophobicContact CZ-CB 3.78Å; F532-L588 CarbonylContact C-O 3.54Å; F532-L588 WeakPolarHBondContact CA-O 3.29Å; F532-V589 HydrophobicContact CD1-CB 4.45Å; F532-V589 HydrophobicContact CD1-CG1 4.17Å; F532-V589 HydrophobicContact CD1-CG2 3.69Å; F532-V589 HydrophobicContact CE1-CB 4.38Å; F532-V589 HydrophobicContact CE1-CG1 3.76Å; F532-V589 HydrophobicContact CE1-CG2 3.71Å; F532-V589 HydrophobicContact CZ-CG1 4.28Å |
| 533 | D | 92 | Very high | 86 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 32% | 0.316 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 94.3 | 173.5 | -153 | -6.2 | 0 | 0 | 0 | 108.1 | K503 L588 | K503-D533 HydrophobicContact CD-CB 4.42Å; K503-D533 VanDerWaalsContact CE-CG 3.49Å; K503-D533 WeakPolarHBondContact CE-OD2 3.45Å; K503-D533 IonicContact NZ-OD1 2.75Å; K503-D533 IonicContact NZ-OD2 2.72Å; K503-D533 PolarHBondContact NZ-OD2 3.07Å; D533-L588 PolarHBondContact N-O 3.24Å; D533-L588 WeakPolarHBondContact O-CD2 3.24Å |
| 534 | V | 91.6 | Very high | 87.6 | Confident | 13 Ų | 13 | 41 Ų | 41 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | trans | -133.3 | 131 | -178.5 | -62.2 | 0 | 0 | 0 | 0 | 108.9 | E536 V537 L575 L577 V582 | V534-E536 PolarHBondContact O-N 3.09Å; V534-V537 HydrophobicContact CG2-CB 4.48Å; V534-V537 HydrophobicContact CG2-CG2 3.56Å; V534-V537 PolarHBondContact O-N 2.92Å; V534-L575 HydrophobicContact CG1-CD2 4.4Å; V534-L577 HydrophobicContact CB-CD2 4.29Å; V534-V582 HydrophobicContact CG1-CG1 4.31Å; V534-V582 HydrophobicContact CG1-CG2 4.32Å | ||
| 535 | D | 89.4 | Confident | 89.1 | Confident | 140 Ų | 140 | 39.2 Ų | 39.2 | 75% | 0.749 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -64.8 | -31 | -171.9 | -71.3 | -34.1 | 0 | 0 | 0 | 111.9 | V537 C538 D539 | D535-V537 PolarHBondContact O-N 3.47Å; D535-V537 VanDerWaalsContact O-N 3.11Å; D535-C538 PolarHBondContact O-N 3Å; D535-C538 VanDerWaalsContact O-N 3.14Å; D535-D539 PolarHBondContact O-N 3.45Å |
| 536 | E | 91 | Very high | 90.2 | Very high | 66 Ų | 66 | 35 Ų | 35 | 31% | 0.308 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -63 | -14.4 | -178.6 | -65.1 | 85 | 173.1 | 0 | 0 | 113.8 | V534 C538 H543 Y545 L577 | V534-E536 PolarHBondContact O-N 3.09Å; E536-C538 VanDerWaalsContact C-N 3.31Å; E536-H543 VanDerWaalsContact CG-CE1 3.48Å; E536-H543 WeakPolarHBondContact CG-CE1 3.47Å; E536-H543 PolarHBondContact O-CD2 2.99Å; E536-Y545 VanDerWaalsContact C-OH 3.22Å; E536-Y545 PolarHBondContact O-OH 2.83Å; E536-L577 HydrophobicContact CB-CD1 4.21Å; E536-L577 HydrophobicContact CB-CD2 3.89Å; E536-L577 HydrophobicContact CG-CD2 3.71Å; E536-L577 HydrophobicContact CG-CG 4.47Å; E536-L577 VanDerWaalsContact OE2-CD2 3.3Å; E536-L577 WeakPolarHBondContact OE2-CD2 3.46Å |
| 537 | V | 90.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -67 | -33.8 | 174.1 | 163.7 | 0 | 0 | 0 | 0 | 111.7 | H465 L499 L504 V534 D535 Y545 | H465-V537 VanDerWaalsContact CB-O 3.22Å; H465-V537 WeakPolarHBondContact CB-O 3.32Å; L499-V537 HydrophobicContact CD1-CG1 4.27Å; L499-V537 HydrophobicContact CD2-CG1 3.83Å; L499-V537 HydrophobicContact CG-CG1 4.48Å; L504-V537 HydrophobicContact CB-CG2 3.85Å; V534-V537 HydrophobicContact CG2-CB 4.48Å; V534-V537 HydrophobicContact CG2-CG2 3.56Å; V534-V537 PolarHBondContact O-N 2.92Å; D535-V537 PolarHBondContact O-N 3.47Å; D535-V537 VanDerWaalsContact O-N 3.11Å; V537-Y545 WeakPolarHBondContact CA-OH 3.33Å; V537-Y545 HydrophobicContact CG2-CE1 4.18Å; V537-Y545 PolarHBondContact N-OH 3.3Å |
| 538 | C | 85.7 | Confident | 91.5 | Very high | 43 Ų | 43 | 34 Ų | 34 | 29% | 0.291 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -121.3 | 9.5 | -170 | -89.1 | 0 | 0 | 0 | 0 | 114 | C502 D535 E536 S540 | C502-C538 WeakPolarHBondContact CA-SG 3.48Å; C502-C538 HydrophobicContact CB-CB 3.77Å; C502-C538 WeakPolarHBondContact CB-SG 3.43Å; C502-C538 WeakPolarHBondContact SG-CB 3.25Å; C502-C538 CovalentContact SG-SG 2.04Å; C502-C538 PolarHBondContact SG-SG 2.53Å; D535-C538 PolarHBondContact O-N 3Å; D535-C538 VanDerWaalsContact O-N 3.14Å; E536-C538 VanDerWaalsContact C-N 3.31Å; C538-S540 PolarHBondContact O-N 3.48Å |
| 539 | D | 87.9 | Confident | 91.8 | Very high | 61 Ų | 61 | 33.8 Ų | 33.8 | 33% | 0.326 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -81.4 | -4.5 | -179.3 | 81.4 | -19.7 | 0 | 0 | 0 | 113.4 | D535 N541 H543 | D535-D539 PolarHBondContact O-N 3.45Å; D539-N541 VanDerWaalsContact CG-ND2 3.31Å; D539-N541 PolarHBondContact O-N 2.98Å; D539-N541 WeakPolarHBondContact OD1-CB 3.36Å; D539-N541 PolarHBondContact OD1-N 3.36Å; D539-N541 WeakPolarHBondContact OD2-CB 3.47Å; D539-N541 PolarHBondContact OD2-ND2 3.06Å; D539-H543 IonicContact OD1-CD2 3.33Å; D539-H543 IonicContact OD1-NE2 3.45Å; D539-H543 PolarHBondContact OD1-NE2 3.46Å; D539-H543 IonicContact OD2-CD2 3.51Å; D539-H543 IonicContact OD2-CE1 3.35Å; D539-H543 IonicContact OD2-NE2 3.53Å; D539-H543 PolarHBondContact OD2-NE2 3.04Å |
| 540 | S | 85.2 | Confident | 91.7 | Very high | 28 Ų | 28 | 37.7 Ų | 37.7 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | trans | 61.1 | 24.4 | -177.3 | -49.8 | 0 | 0 | 0 | 0 | 114.5 | K464 H465 S467 C538 | K464-S540 WeakPolarHBondContact CE-O 3.48Å; K464-S540 WeakPolarHBondContact CG-O 3.49Å; H465-S540 WeakPolarHBondContact O-CA 3.26Å; S467-S540 WeakPolarHBondContact CA-OG 3.42Å; S467-S540 WeakPolarHBondContact CB-OG 2.84Å; S467-S540 PolarHBondContact N-OG 3.45Å; C538-S540 PolarHBondContact O-N 3.48Å | ||
| 541 | N | 88.5 | Confident | 91.2 | Very high | 88 Ų | 88 | 38.5 Ų | 38.5 | 47% | 0.471 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -105.5 | 168.3 | 173.4 | -61.8 | -49.5 | 0 | 0 | 0 | 111.6 | K464 D539 | K464-N541 WeakPolarHBondContact CA-O 3.09Å; D539-N541 VanDerWaalsContact CG-ND2 3.31Å; D539-N541 PolarHBondContact O-N 2.98Å; D539-N541 WeakPolarHBondContact OD1-CB 3.36Å; D539-N541 PolarHBondContact OD1-N 3.36Å; D539-N541 WeakPolarHBondContact OD2-CB 3.47Å; D539-N541 PolarHBondContact OD2-ND2 3.06Å |
| 542 | W | 88.3 | Confident | 90.5 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 16% | 0.155 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 123.1 | 174.8 | -81.9 | 111.9 | 0 | 0 | 0 | 110.6 | L367 I429 W462 M463 K464 Y630 A632 | L367-W542 HydrophobicContact CD1-CD2 3.3Å; L367-W542 HydrophobicContact CD1-CE3 3.35Å; L367-W542 HydrophobicContact CD1-CG 3.9Å; L367-W542 HydrophobicContact CD1-CH2 3.75Å; L367-W542 HydrophobicContact CD1-CZ2 3.73Å; L367-W542 HydrophobicContact CD1-CZ3 3.57Å; I429-W542 HydrophobicContact CG2-CH2 4.02Å; I429-W542 HydrophobicContact CG2-CZ2 3.86Å; W462-W542 HydrophobicContact CB-CE3 3.85Å; W462-W542 HydrophobicContact CB-CZ3 3.72Å; M463-W542 VanDerWaalsContact C-CE3 3.48Å; K464-W542 HydrophobicContact CB-CD2 3.54Å; K464-W542 HydrophobicContact CB-CE3 3.79Å; K464-W542 HydrophobicContact CB-CG 3.93Å; K464-W542 HydrophobicContact CB-CH2 4.44Å; K464-W542 HydrophobicContact CB-CZ2 4.21Å; K464-W542 HydrophobicContact CB-CZ3 4.24Å; K464-W542 HydrophobicContact CD-CD2 4.31Å; K464-W542 HydrophobicContact CD-CG 4.16Å; W542-Y630 VanDerWaalsContact CH2-CB 3.42Å; W542-Y630 HydrophobicContact CZ2-CG 4.24Å; W542-A632 HydrophobicContact CH2-CB 4.1Å; W542-A632 HydrophobicContact CZ3-CB 4.21Å |
| 543 | H | 91.6 | Very high | 89.3 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 150.7 | 172.8 | -66.7 | -77.5 | 0 | 0 | 0 | 110.9 | W462 M463 E536 D539 Y545 L577 D578 | W462-H543 WeakPolarHBondContact CA-O 3.49Å; M463-H543 PolarHBondContact N-O 3.33Å; M463-H543 PolarHBondContact O-N 3.14Å; E536-H543 VanDerWaalsContact CG-CE1 3.48Å; E536-H543 WeakPolarHBondContact CG-CE1 3.47Å; E536-H543 PolarHBondContact O-CD2 2.99Å; D539-H543 IonicContact OD1-CD2 3.33Å; D539-H543 IonicContact OD1-NE2 3.45Å; D539-H543 PolarHBondContact OD1-NE2 3.46Å; D539-H543 IonicContact OD2-CD2 3.51Å; D539-H543 IonicContact OD2-CE1 3.35Å; D539-H543 IonicContact OD2-NE2 3.53Å; D539-H543 PolarHBondContact OD2-NE2 3.04Å; H543-Y545 HydrophobicContact CB-CD2 4.32Å; H543-Y545 HydrophobicContact CB-CE2 3.52Å; H543-Y545 WeakPolarHBondContact O-CD2 3.46Å; H543-L577 HydrophobicContact CB-CD1 4.1Å; H543-D578 WeakPolarHBondContact CA-OD1 3.22Å; H543-D578 IonicContact CE1-OD2 2.75Å; H543-D578 IonicContact CG-OD2 2.64Å; H543-D578 IonicContact ND1-OD1 2.74Å; H543-D578 IonicContact ND1-OD2 3.09Å; H543-D578 PolarHBondContact ND1-OD2 3.07Å |
| 544 | H | 92.9 | Very high | 88.1 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.6 | 172.2 | -176.4 | -97.1 | 0 | 0 | 0 | 110.9 | W462 S546 D578 T651 | W462-H544 AromaticContact CD1-CD2 3.84Å; W462-H544 HydrophobicContact CD2-CB 3.96Å; W462-H544 AromaticContact CD2-CD2 3.93Å; W462-H544 AromaticContact CE2-CD2 3.47Å; W462-H544 VanDerWaalsContact CE2-CD2 3.47Å; W462-H544 HydrophobicContact CE3-CB 3.84Å; W462-H544 HydrophobicContact CH2-CB 3.74Å; W462-H544 HydrophobicContact CZ2-CB 3.89Å; W462-H544 AromaticContact CZ2-CD2 3.82Å; W462-H544 HydrophobicContact CZ3-CB 3.74Å; W462-H544 AromaticContact NE1-CD2 3.42Å; W462-H544 PolarHBondContact NE1-CD2 3.01Å; H544-S546 PolarHBondContact CE1-OG 3.43Å; H544-S546 PolarHBondContact ND1-OG 2.89Å; H544-D578 PolarHBondContact N-OD1 3.32Å; H544-D578 PolarHBondContact O-N 3.08Å; H544-T651 HydrophobicContact CB-CG2 3.81Å; H544-T651 WeakPolarHBondContact ND1-CG2 3.29Å |
| 545 | Y | 96.4 | Very high | 87 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.7 | 179.2 | -61.7 | -95.4 | 0 | 0 | 0 | 109.4 | N460 F461 M463 L504 E536 V537 H543 L575 L577 | N460-Y545 CarbonylContact C-O 3.51Å; N460-Y545 WeakPolarHBondContact CA-O 3.19Å; F461-Y545 HydrophobicContact CD2-CD2 4.1Å; F461-Y545 HydrophobicContact CD2-CG 4.39Å; F461-Y545 AromaticContact CE2-CD2 3.68Å; F461-Y545 HydrophobicContact CE2-CD2 3.68Å; F461-Y545 AromaticContact CE2-CG 3.71Å; F461-Y545 HydrophobicContact CE2-CG 3.71Å; F461-Y545 HydrophobicContact CZ-CD2 4.3Å; F461-Y545 AromaticContact CZ-CG 3.84Å; F461-Y545 HydrophobicContact CZ-CG 3.84Å; F461-Y545 PolarHBondContact N-O 2.81Å; F461-Y545 PolarHBondContact O-N 2.88Å; M463-Y545 HydrophobicContact CB-CD2 4.01Å; M463-Y545 HydrophobicContact CB-CE2 3.8Å; M463-Y545 HydrophobicContact CE-CE2 3.82Å; L504-Y545 HydrophobicContact CD2-CD1 3.77Å; L504-Y545 HydrophobicContact CD2-CE1 4.27Å; E536-Y545 VanDerWaalsContact C-OH 3.22Å; E536-Y545 PolarHBondContact O-OH 2.83Å; V537-Y545 WeakPolarHBondContact CA-OH 3.33Å; V537-Y545 HydrophobicContact CG2-CE1 4.18Å; V537-Y545 PolarHBondContact N-OH 3.3Å; H543-Y545 HydrophobicContact CB-CD2 4.32Å; H543-Y545 HydrophobicContact CB-CE2 3.52Å; H543-Y545 WeakPolarHBondContact O-CD2 3.46Å; Y545-L575 HydrophobicContact CD1-CD1 4.15Å; Y545-L577 HydrophobicContact CD1-CD1 3.77Å; Y545-L577 HydrophobicContact CE1-CD1 3.45Å; Y545-L577 VanDerWaalsContact CE1-CD1 3.45Å; Y545-L577 HydrophobicContact CE2-CD1 4.45Å; Y545-L577 HydrophobicContact CG-CD1 4.41Å |
| 546 | S | 96.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.5 | 170.1 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | I459 N460 H544 Y576 | I459-S546 CarbonylContact O-C 3.54Å; I459-S546 VanDerWaalsContact O-CA 3.3Å; I459-S546 WeakPolarHBondContact O-CA 3.24Å; N460-S546 VanDerWaalsContact OD1-CB 3.31Å; N460-S546 WeakPolarHBondContact OD1-CB 3.31Å; N460-S546 PolarHBondContact OD1-OG 3.23Å; H544-S546 PolarHBondContact CE1-OG 3.43Å; H544-S546 PolarHBondContact ND1-OG 2.89Å; S546-Y576 PolarHBondContact N-O 2.65Å; S546-Y576 PolarHBondContact O-N 3.12Å |
| 547 | L | 96.6 | Very high | 84.3 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115 | 174.8 | -63.8 | 169.9 | 0 | 0 | 0 | 108.9 | T458 I459 F461 V497 L504 V506 F532 L573 Q574 L575 | T458-L547 CarbonylContact C-O 3.6Å; T458-L547 WeakPolarHBondContact CA-O 3.15Å; I459-L547 HydrophobicContact CB-CB 4.34Å; I459-L547 PolarHBondContact N-O 3.45Å; I459-L547 PolarHBondContact O-N 2.95Å; F461-L547 HydrophobicContact CE1-CD1 4.25Å; V497-L547 HydrophobicContact CG1-CD1 3.86Å; V497-L547 HydrophobicContact CG2-CD1 3.77Å; L504-L547 HydrophobicContact CD2-CD2 4.4Å; V506-L547 HydrophobicContact CG2-CD1 3.63Å; V506-L547 HydrophobicContact CG2-CD2 3.79Å; V506-L547 HydrophobicContact CG2-CG 4.34Å; F532-L547 HydrophobicContact CE2-CD2 4.42Å; L547-L573 HydrophobicContact CD2-CD2 4.29Å; L547-Q574 WeakPolarHBondContact CA-O 3.48Å; L547-L575 HydrophobicContact CD2-CB 4.22Å; L547-L575 HydrophobicContact CD2-CD1 3.73Å |
| 548 | T | 94.3 | Very high | 82.9 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.3 | 172.6 | 64 | 0 | 0 | 0 | 0 | 109.2 | T458 L573 Q574 Y576 I641 I647 | T458-T548 HydrophobicContact CG2-CG2 4.08Å; T548-L573 CarbonylContact O-C 3.53Å; T548-L573 VanDerWaalsContact O-CA 3.27Å; T548-L573 WeakPolarHBondContact O-CA 3.36Å; T548-Q574 PolarHBondContact N-O 3.05Å; T548-Q574 PolarHBondContact O-N 3.05Å; T548-Q574 WeakPolarHBondContact OG1-CB 3.27Å; T548-Q574 PolarHBondContact OG1-OE1 3.37Å; T548-Y576 HydrophobicContact CG2-CD2 4.23Å; T548-Y576 HydrophobicContact CG2-CE2 3.85Å; T548-I641 HydrophobicContact CG2-CG2 3.94Å; T548-I647 HydrophobicContact CG2-CD1 3.73Å |
| 549 | Y | 93.1 | Very high | 81.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 123.8 | 178.4 | -179.2 | -114.7 | 0 | 0 | 0 | 111.4 | L456 F457 I508 R510 W530 P551 I571 L573 I641 | L456-Y549 WeakPolarHBondContact CA-O 3.47Å; F457-Y549 AromaticContact CD1-CD1 3.77Å; F457-Y549 HydrophobicContact CD1-CD1 3.77Å; F457-Y549 HydrophobicContact CD1-CG 4.25Å; F457-Y549 VanDerWaalsContact CE1-CB 3.49Å; F457-Y549 AromaticContact CE1-CD1 3.28Å; F457-Y549 HydrophobicContact CE1-CD1 3.28Å; F457-Y549 HydrophobicContact CE1-CE1 4.22Å; F457-Y549 AromaticContact CE1-CG 3.63Å; F457-Y549 HydrophobicContact CE1-CG 3.63Å; F457-Y549 AromaticContact CZ-CD1 3.94Å; F457-Y549 HydrophobicContact CZ-CD1 3.94Å; F457-Y549 AromaticContact CZ-CG 3.79Å; F457-Y549 HydrophobicContact CZ-CG 3.79Å; F457-Y549 PolarHBondContact N-O 3.49Å; F457-Y549 PolarHBondContact O-N 3.37Å; I508-Y549 HydrophobicContact CD1-CD1 4.22Å; I508-Y549 HydrophobicContact CD1-CD2 3.7Å; I508-Y549 HydrophobicContact CD1-CE1 4.2Å; I508-Y549 HydrophobicContact CD1-CE2 3.69Å; I508-Y549 HydrophobicContact CD1-CG 3.96Å; R510-Y549 PolarHBondContact NH2-OH 2.72Å; W530-Y549 HydrophobicContact CH2-CE2 4.16Å; Y549-P551 HydrophobicContact CE1-CB 3.79Å; Y549-P551 HydrophobicContact CE1-CG 4.47Å; Y549-I571 HydrophobicContact CE2-CG2 4.12Å; Y549-L573 HydrophobicContact CD2-CB 4.06Å; Y549-L573 HydrophobicContact CD2-CD1 4.04Å; Y549-L573 HydrophobicContact CD2-CG 4.39Å; Y549-I641 WeakPolarHBondContact O-CD1 3.26Å |
| 550 | R | 90 | Very high | 80.5 | Confident | 111 Ų | 111 | 41.3 Ų | 41.3 | 42% | 0.419 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 109.3 | 168.3 | -179.1 | 170 | -88.1 | 102.7 | -3.2 | 109.9 | L456 E572 I641 | L456-R550 HydrophobicContact CD2-CB 4.13Å; L456-R550 HydrophobicContact CD2-CG 3.94Å; R550-E572 HydrophobicContact CB-CB 4.38Å; R550-E572 PolarHBondContact N-O 2.95Å; R550-E572 PolarHBondContact O-N 3.34Å; R550-I641 HydrophobicContact CB-CD1 3.94Å |
| 551 | P | 85.1 | Confident | 79.3 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 155.1 | 172.2 | 31.5 | -35.6 | 0 | 0 | 0 | 110.2 | D453 L456 Y549 | D453-P551 WeakPolarHBondContact O-CB 3.38Å; L456-P551 HydrophobicContact CG-CG 4.41Å; Y549-P551 HydrophobicContact CE1-CB 3.79Å; Y549-P551 HydrophobicContact CE1-CG 4.47Å |
| 552 | P | 77.5 | Confident | 77.9 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 8% | 0.078 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 160.8 | 175.6 | 26.5 | -31.3 | 0 | 0 | 0 | 111.2 | V556 V557 I571 | P552-V556 HydrophobicContact CB-CB 4.37Å; P552-V557 HydrophobicContact CB-CG2 4.46Å; P552-V557 HydrophobicContact CG-CG2 3.74Å; P552-I571 HydrophobicContact CB-CD1 3.9Å; P552-I571 HydrophobicContact CB-CG1 3.58Å; P552-I571 HydrophobicContact CG-CD1 3.86Å; P552-I571 HydrophobicContact CG-CG1 3.86Å |
| 553 | E | 71.7 | Confident | 76.4 | Confident | 106 Ų | 106 | 45.8 Ų | 45.8 | 50% | 0.495 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -56 | 140.7 | 170.4 | -61 | -176 | 158 | 0 | 0 | 111.2 | T555 V556 V557 K561 | E553-T555 WeakPolarHBondContact CB-OG1 3.25Å; E553-T555 PolarHBondContact O-N 3.07Å; E553-T555 PolarHBondContact OE2-OG1 3.43Å; E553-V556 HydrophobicContact CB-CG2 4.47Å; E553-V556 WeakPolarHBondContact O-CB 3.38Å; E553-V556 PolarHBondContact O-N 3.03Å; E553-V557 PolarHBondContact O-N 3.05Å; E553-K561 IonicContact OE2-NZ 3.58Å; E553-K561 PolarHBondContact OE2-NZ 3.25Å |
| 554 | T | 67.2 | Low | 74.7 | Confident | 107 Ų | 107 | 46.6 Ų | 46.6 | 66% | 0.656 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -56.8 | -24.5 | 178 | 52 | 0 | 0 | 0 | 0 | 113.1 | V557 N558 | T554-V557 PolarHBondContact O-N 2.77Å; T554-N558 WeakPolarHBondContact O-CB 3.43Å; T554-N558 PolarHBondContact O-N 2.86Å; T554-N558 PolarHBondContact O-ND2 2.84Å |
| 555 | T | 66.8 | Low | 72.7 | Confident | 48 Ų | 48 | 52 Ų | 52 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 174.9 | 53.4 | 0 | 0 | 0 | 0 | 112.9 | E553 Q560 K561 | E553-T555 WeakPolarHBondContact CB-OG1 3.25Å; E553-T555 PolarHBondContact O-N 3.07Å; E553-T555 PolarHBondContact OE2-OG1 3.43Å; T555-Q560 WeakPolarHBondContact O-CB 3.17Å; T555-Q560 PolarHBondContact O-N 3.18Å; T555-K561 PolarHBondContact O-N 2.97Å |
| 556 | V | 64.8 | Low | 70.5 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.7 | -43.6 | 174.4 | 180 | 0 | 0 | 0 | 0 | 109.6 | P552 E553 N558 G559 K561 L563 | P552-V556 HydrophobicContact CB-CB 4.37Å; E553-V556 HydrophobicContact CB-CG2 4.47Å; E553-V556 WeakPolarHBondContact O-CB 3.38Å; E553-V556 PolarHBondContact O-N 3.03Å; V556-N558 VanDerWaalsContact C-N 3.3Å; V556-N558 PolarHBondContact O-N 3.09Å; V556-G559 PolarHBondContact O-N 2.52Å; V556-K561 WeakPolarHBondContact CA-O 3.39Å; V556-K561 HydrophobicContact CG2-CB 4.35Å; V556-K561 HydrophobicContact CG2-CD 4.18Å; V556-K561 HydrophobicContact CG2-CG 4.49Å; V556-L563 HydrophobicContact CG1-CB 4.4Å; V556-L563 HydrophobicContact CG1-CD1 4.29Å |
| 557 | V | 60 | Low | 68.1 | Low | 33 Ų | 33 | 60.6 Ų | 60.6 | 20% | 0.2 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 178.6 | -179 | 0 | 0 | 0 | 0 | 111.9 | P552 E553 T554 G559 | P552-V557 HydrophobicContact CB-CG2 4.46Å; P552-V557 HydrophobicContact CG-CG2 3.74Å; E553-V557 PolarHBondContact O-N 3.05Å; T554-V557 PolarHBondContact O-N 2.77Å; V557-G559 PolarHBondContact O-N 2.81Å |
| 558 | N | 61 | Low | 65.9 | Low | 48 Ų | 48 | 68.6 Ų | 68.6 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 4.4 | 178.5 | -68.2 | -21.8 | 0 | 0 | 0 | 113.9 | I517 T554 V556 Q560 | I517-N558 WeakPolarHBondContact CD1-OD1 3.17Å; T554-N558 WeakPolarHBondContact O-CB 3.43Å; T554-N558 PolarHBondContact O-N 2.86Å; T554-N558 PolarHBondContact O-ND2 2.84Å; V556-N558 VanDerWaalsContact C-N 3.3Å; V556-N558 PolarHBondContact O-N 3.09Å; N558-Q560 HydrophobicContact CB-CG 4.05Å; N558-Q560 PolarHBondContact O-N 2.97Å; N558-Q560 VanDerWaalsContact O-N 3.17Å |
| 559 | G | 60.4 | Low | 63.8 | Low | 39 Ų | 39 | 72.2 Ų | 72.2 | 40% | 0.402 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 10.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V556 V557 K561 | V556-G559 PolarHBondContact O-N 2.52Å; V557-G559 PolarHBondContact O-N 2.81Å; G559-K561 VanDerWaalsContact C-N 3.31Å |
| 560 | Q | 62.6 | Low | 62 | Low | 151 Ų | 151 | 74.1 Ų | 74.1 | 71% | 0.706 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -78.7 | -18.8 | -179.5 | -64.9 | 175.8 | -7.2 | 0 | 0 | 112.2 | T555 N558 | T555-Q560 WeakPolarHBondContact O-CB 3.17Å; T555-Q560 PolarHBondContact O-N 3.18Å; N558-Q560 HydrophobicContact CB-CG 4.05Å; N558-Q560 PolarHBondContact O-N 2.97Å; N558-Q560 VanDerWaalsContact O-N 3.17Å |
| 561 | K | 60.5 | Low | 60.4 | Low | 91 Ų | 91 | 69.4 Ų | 69.4 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -136.3 | 120.9 | 176.4 | -173 | -175.3 | 179.5 | -162.5 | 0 | 108.1 | E553 T555 V556 G559 | E553-K561 IonicContact OE2-NZ 3.58Å; E553-K561 PolarHBondContact OE2-NZ 3.25Å; T555-K561 PolarHBondContact O-N 2.97Å; V556-K561 WeakPolarHBondContact CA-O 3.39Å; V556-K561 HydrophobicContact CG2-CB 4.35Å; V556-K561 HydrophobicContact CG2-CD 4.18Å; V556-K561 HydrophobicContact CG2-CG 4.49Å; G559-K561 VanDerWaalsContact C-N 3.31Å |
| 562 | T | 59.7 | Low | 60.2 | Low | 118 Ų | 118 | 71.9 Ų | 71.9 | 72% | 0.724 | 41% | 0.411 | S | S | * | . | trans | -69.2 | 134.3 | 171.1 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | G564 | T562-G564 PolarHBondContact O-N 2.84Š| ||
| 563 | L | 56.1 | Low | 60.9 | Low | 43 Ų | 43 | 72 Ų | 72 | 23% | 0.225 | 41% | 0.411 | C | S | . | . | trans | -58.9 | 113.5 | 171.4 | -166.9 | 75.2 | 0 | 0 | 0 | 107.4 | Q524 V556 S567 D570 | Q524-L563 VanDerWaalsContact NE2-CB 3.31Å; V556-L563 HydrophobicContact CG1-CB 4.4Å; V556-L563 HydrophobicContact CG1-CD1 4.29Å; L563-S567 WeakPolarHBondContact CD1-O 3.05Å; L563-D570 HydrophobicContact CD1-CB 4.08Å | ||
| 564 | G | 55.7 | Low | 61.9 | Low | 37 Ų | 37 | 68.6 Ų | 68.6 | 38% | 0.381 | 40% | 0.395 | S | S | . | . | trans | -64.3 | 148.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T562 N566 S567 | T562-G564 PolarHBondContact O-N 2.84Å; G564-N566 PolarHBondContact O-N 2.81Å; G564-S567 WeakPolarHBondContact O-CA 3.32Å; G564-S567 VanDerWaalsContact O-CB 3.25Å; G564-S567 WeakPolarHBondContact O-CB 3.22Å; G564-S567 PolarHBondContact O-N 2.81Å | ||
| 565 | S | 51.1 | Low | 63.2 | Low | 118 Ų | 118 | 63.5 Ų | 63.5 | 83% | 0.825 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -13.3 | 174.1 | -172.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 566 | N | 49 | Very low | 64.6 | Low | 159 Ų | 159 | 61.7 Ų | 61.7 | 85% | 0.85 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 3.7 | 174.6 | -61.6 | -5.3 | 0 | 0 | 0 | 112.9 | G564 | G564-N566 PolarHBondContact O-N 2.81Š|
| 567 | S | 47.1 | Very low | 65.9 | Low | 24 Ų | 24 | 62.4 Ų | 62.4 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | trans | -106.9 | 22.9 | -176.1 | -113.8 | 0 | 0 | 0 | 0 | 112.2 | L563 G564 S569 D570 | L563-S567 WeakPolarHBondContact CD1-O 3.05Å; G564-S567 WeakPolarHBondContact O-CA 3.32Å; G564-S567 VanDerWaalsContact O-CB 3.25Å; G564-S567 WeakPolarHBondContact O-CB 3.22Å; G564-S567 PolarHBondContact O-N 2.81Å; S567-S569 PolarHBondContact O-N 2.82Å; S567-D570 WeakPolarHBondContact CB-OD2 3.45Å; S567-D570 PolarHBondContact O-N 2.88Å; S567-D570 PolarHBondContact OG-OD2 2.95Å | ||
| 568 | E | 49.7 | Very low | 67.3 | Low | 169 Ų | 169 | 63.7 Ų | 63.7 | 79% | 0.79 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -51.6 | -20.8 | 160.5 | -88.5 | -176.9 | 151.9 | 0 | 0 | 111.3 | ||
| 569 | S | 51.6 | Low | 68.5 | Low | 78 Ų | 78 | 61.8 Ų | 61.8 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -70.5 | -16.5 | 173.8 | 57.7 | 0 | 0 | 0 | 0 | 116.3 | S567 | S567-S569 PolarHBondContact O-N 2.82Š|
| 570 | D | 54.3 | Low | 69.7 | Low | 41 Ų | 41 | 67.8 Ų | 67.8 | 22% | 0.219 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -81 | -21.5 | -172.3 | -73.9 | -14.3 | 0 | 0 | 0 | 113.4 | L563 S567 | L563-D570 HydrophobicContact CD1-CB 4.08Å; S567-D570 WeakPolarHBondContact CB-OD2 3.45Å; S567-D570 PolarHBondContact O-N 2.88Å; S567-D570 PolarHBondContact OG-OD2 2.95Å |
| 571 | I | 57.5 | Low | 71 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.062 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -120 | 104.9 | 176.7 | -55.2 | 171.1 | 0 | 0 | 0 | 107.3 | L526 P527 W530 Y549 P552 | L526-I571 HydrophobicContact CD2-CD1 4.38Å; P527-I571 HydrophobicContact CG-CD1 4.36Å; W530-I571 HydrophobicContact CZ2-CG2 4.27Å; Y549-I571 HydrophobicContact CE2-CG2 4.12Å; P552-I571 HydrophobicContact CB-CD1 3.9Å; P552-I571 HydrophobicContact CB-CG1 3.58Å; P552-I571 HydrophobicContact CG-CD1 3.86Å; P552-I571 HydrophobicContact CG-CG1 3.86Å |
| 572 | E | 79.7 | Confident | 72.4 | Confident | 74 Ų | 74 | 61 Ų | 61 | 35% | 0.346 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 109.2 | -173.1 | -152.7 | -179.6 | -171.9 | 0 | 0 | 109.5 | R550 Q574 | R550-E572 HydrophobicContact CB-CB 4.38Å; R550-E572 PolarHBondContact N-O 2.95Å; R550-E572 PolarHBondContact O-N 3.34Å; E572-Q574 HydrophobicContact CG-CG 3.73Å; E572-Q574 PolarHBondContact OE1-NE2 2.74Å |
| 573 | L | 91.6 | Very high | 73.6 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.4 | 162.4 | -169.3 | 147 | 0 | 0 | 0 | 107.9 | V506 I508 W530 F532 L547 T548 Y549 | V506-L573 HydrophobicContact CB-CD1 4.04Å; V506-L573 HydrophobicContact CB-CD2 4.5Å; V506-L573 HydrophobicContact CG1-CD1 3.66Å; V506-L573 HydrophobicContact CG2-CD1 4.49Å; V506-L573 HydrophobicContact CG2-CD2 4.32Å; I508-L573 HydrophobicContact CD1-CD1 3.79Å; W530-L573 HydrophobicContact CB-CD2 4.17Å; W530-L573 HydrophobicContact CD2-CB 3.87Å; W530-L573 HydrophobicContact CD2-CD1 3.98Å; W530-L573 HydrophobicContact CD2-CD2 4.37Å; W530-L573 HydrophobicContact CD2-CG 4.29Å; W530-L573 HydrophobicContact CE3-CB 4.48Å; W530-L573 HydrophobicContact CE3-CD1 3.84Å; W530-L573 HydrophobicContact CG-CB 4.12Å; W530-L573 HydrophobicContact CG-CD1 4.47Å; W530-L573 HydrophobicContact CG-CD2 4.03Å; W530-L573 HydrophobicContact CG-CG 4.42Å; W530-L573 HydrophobicContact CZ2-CB 4.02Å; W530-L573 HydrophobicContact CZ3-CD1 4.22Å; F532-L573 HydrophobicContact CE2-CD2 3.57Å; F532-L573 HydrophobicContact CZ-CD2 3.45Å; F532-L573 VanDerWaalsContact CZ-CD2 3.45Å; L547-L573 HydrophobicContact CD2-CD2 4.29Å; T548-L573 CarbonylContact O-C 3.53Å; T548-L573 VanDerWaalsContact O-CA 3.27Å; T548-L573 WeakPolarHBondContact O-CA 3.36Å; Y549-L573 HydrophobicContact CD2-CB 4.06Å; Y549-L573 HydrophobicContact CD2-CD1 4.04Å; Y549-L573 HydrophobicContact CD2-CG 4.39Å |
| 574 | Q | 93.2 | Very high | 74.8 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 16% | 0.164 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.4 | 179.1 | -50.7 | 171.6 | -48.8 | 0 | 0 | 110.1 | L547 T548 E572 Y576 L581 | L547-Q574 WeakPolarHBondContact CA-O 3.48Å; T548-Q574 PolarHBondContact N-O 3.05Å; T548-Q574 PolarHBondContact O-N 3.05Å; T548-Q574 WeakPolarHBondContact OG1-CB 3.27Å; T548-Q574 PolarHBondContact OG1-OE1 3.37Å; E572-Q574 HydrophobicContact CG-CG 3.73Å; E572-Q574 PolarHBondContact OE1-NE2 2.74Å; Q574-Y576 HydrophobicContact CB-CE2 3.99Å; Q574-Y576 PolarHBondContact OE1-OH 2.79Å; Q574-L581 HydrophobicContact CB-CD1 3.71Å; Q574-L581 HydrophobicContact CG-CD1 4.19Å |
| 575 | L | 95.6 | Very high | 76.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.2 | 170.1 | 172.8 | 62.6 | 0 | 0 | 0 | 108.6 | L504 F532 V534 Y545 L547 V582 | L504-L575 HydrophobicContact CD2-CD1 3.88Å; L504-L575 HydrophobicContact CD2-CD2 4.05Å; F532-L575 HydrophobicContact CB-CD2 3.69Å; F532-L575 HydrophobicContact CD1-CB 3.7Å; F532-L575 HydrophobicContact CD1-CD2 3.69Å; F532-L575 HydrophobicContact CD1-CG 4.36Å; F532-L575 HydrophobicContact CD2-CB 4.34Å; F532-L575 HydrophobicContact CD2-CD2 4.11Å; F532-L575 HydrophobicContact CE1-CB 3.52Å; F532-L575 HydrophobicContact CE1-CD2 4.39Å; F532-L575 HydrophobicContact CE2-CB 4.18Å; F532-L575 HydrophobicContact CG-CB 4.14Å; F532-L575 HydrophobicContact CG-CD2 3.55Å; F532-L575 HydrophobicContact CG-CG 4.48Å; F532-L575 HydrophobicContact CZ-CB 3.78Å; V534-L575 HydrophobicContact CG1-CD2 4.4Å; Y545-L575 HydrophobicContact CD1-CD1 4.15Å; L547-L575 HydrophobicContact CD2-CB 4.22Å; L547-L575 HydrophobicContact CD2-CD1 3.73Å; L575-V582 HydrophobicContact CB-CB 4.34Å; L575-V582 HydrophobicContact CB-CG2 4.24Å; L575-V582 HydrophobicContact CD2-CG2 3.91Å; L575-V582 HydrophobicContact CG-CB 4.48Å; L575-V582 HydrophobicContact CG-CG2 3.85Å; L575-V582 WeakPolarHBondContact O-CB 3.48Å; L575-V582 PolarHBondContact O-N 3.43Å |
| 576 | Y | 94.4 | Very high | 77.5 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 4% | 0.039 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.2 | 163.5 | -58.8 | -115.6 | 0 | 0 | 0 | 108.2 | S546 T548 Q574 R580 L581 D644 I647 | S546-Y576 PolarHBondContact N-O 2.65Å; S546-Y576 PolarHBondContact O-N 3.12Å; T548-Y576 HydrophobicContact CG2-CD2 4.23Å; T548-Y576 HydrophobicContact CG2-CE2 3.85Å; Q574-Y576 HydrophobicContact CB-CE2 3.99Å; Q574-Y576 PolarHBondContact OE1-OH 2.79Å; Y576-R580 CarbonylContact C-O 3.51Å; Y576-R580 WeakPolarHBondContact CA-O 3.46Å; Y576-L581 HydrophobicContact CD1-CB 4.02Å; Y576-L581 HydrophobicContact CD2-CD1 4.31Å; Y576-L581 HydrophobicContact CE1-CB 3.86Å; Y576-L581 HydrophobicContact CE1-CD1 4.2Å; Y576-L581 HydrophobicContact CE2-CD1 3.89Å; Y576-D644 VanDerWaalsContact CE1-OD1 3.3Å; Y576-D644 WeakPolarHBondContact CE1-OD1 3.41Å; Y576-D644 VanDerWaalsContact CZ-OD1 3.24Å; Y576-D644 PolarHBondContact OH-OD1 2.75Å; Y576-I647 HydrophobicContact CD1-CD1 4.4Å; Y576-I647 HydrophobicContact CD1-CG2 4.05Å; Y576-I647 HydrophobicContact CD2-CD1 3.94Å; Y576-I647 HydrophobicContact CE1-CD1 4.4Å; Y576-I647 HydrophobicContact CE2-CD1 4Å; Y576-I647 HydrophobicContact CG-CD1 4.18Å; Y576-I647 HydrophobicContact CG-CG2 3.99Å |
| 577 | L | 92.7 | Very high | 79 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.8 | 177.1 | -175 | 64.9 | 0 | 0 | 0 | 108.5 | V534 E536 H543 Y545 G579 R580 V582 | V534-L577 HydrophobicContact CB-CD2 4.29Å; E536-L577 HydrophobicContact CB-CD1 4.21Å; E536-L577 HydrophobicContact CB-CD2 3.89Å; E536-L577 HydrophobicContact CG-CD2 3.71Å; E536-L577 HydrophobicContact CG-CG 4.47Å; E536-L577 VanDerWaalsContact OE2-CD2 3.3Å; E536-L577 WeakPolarHBondContact OE2-CD2 3.46Å; H543-L577 HydrophobicContact CB-CD1 4.1Å; Y545-L577 HydrophobicContact CD1-CD1 3.77Å; Y545-L577 HydrophobicContact CE1-CD1 3.45Å; Y545-L577 VanDerWaalsContact CE1-CD1 3.45Å; Y545-L577 HydrophobicContact CE2-CD1 4.45Å; Y545-L577 HydrophobicContact CG-CD1 4.41Å; L577-G579 PolarHBondContact O-N 3.19Å; L577-R580 PolarHBondContact N-O 2.76Å; L577-R580 PolarHBondContact O-N 3.02Å; L577-V582 HydrophobicContact CB-CG2 4Å |
| 578 | D | 89 | Confident | 80.7 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 30.9 | -175 | -60.4 | -35.4 | 0 | 0 | 0 | 113.6 | H543 H544 T651 | H543-D578 WeakPolarHBondContact CA-OD1 3.22Å; H543-D578 IonicContact CE1-OD2 2.75Å; H543-D578 IonicContact CG-OD2 2.64Å; H543-D578 IonicContact ND1-OD1 2.74Å; H543-D578 IonicContact ND1-OD2 3.09Å; H543-D578 PolarHBondContact ND1-OD2 3.07Å; H544-D578 PolarHBondContact N-OD1 3.32Å; H544-D578 PolarHBondContact O-N 3.08Å; D578-T651 VanDerWaalsContact C-CG2 3.48Å; D578-T651 PolarHBondContact O-OG1 2.96Å |
| 579 | G | 86.3 | Confident | 82.5 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 0.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L577 T651 | L577-G579 PolarHBondContact O-N 3.19Å; G579-T651 VanDerWaalsContact N-CG2 3.33Å |
| 580 | R | 86.2 | Confident | 84.2 | Confident | 164 Ų | 164 | 57.7 Ų | 57.7 | 62% | 0.619 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.7 | 176.3 | -63.5 | 179.3 | 177.6 | 170.5 | 0.6 | 110.3 | Y576 L577 V582 | Y576-R580 CarbonylContact C-O 3.51Å; Y576-R580 WeakPolarHBondContact CA-O 3.46Å; L577-R580 PolarHBondContact N-O 2.76Å; L577-R580 PolarHBondContact O-N 3.02Å; R580-V582 PolarHBondContact O-N 2.92Å |
| 581 | L | 89.5 | Confident | 85.8 | Confident | 82 Ų | 82 | 59.4 Ų | 59.4 | 43% | 0.429 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 124.8 | 173.8 | 178.6 | 63.6 | 0 | 0 | 0 | 110.1 | Q574 Y576 P583 | Q574-L581 HydrophobicContact CB-CD1 3.71Å; Q574-L581 HydrophobicContact CG-CD1 4.19Å; Y576-L581 HydrophobicContact CD1-CB 4.02Å; Y576-L581 HydrophobicContact CD2-CD1 4.31Å; Y576-L581 HydrophobicContact CE1-CB 3.86Å; Y576-L581 HydrophobicContact CE1-CD1 4.2Å; Y576-L581 HydrophobicContact CE2-CD1 3.89Å; L581-P583 WeakPolarHBondContact O-CD 3.49Å |
| 582 | V | 89.9 | Confident | 87.1 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 11% | 0.109 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 121.3 | 170.2 | 176.9 | 0 | 0 | 0 | 0 | 107.8 | V534 L575 L577 R580 N584 L588 V589 | V534-V582 HydrophobicContact CG1-CG1 4.31Å; V534-V582 HydrophobicContact CG1-CG2 4.32Å; L575-V582 HydrophobicContact CB-CB 4.34Å; L575-V582 HydrophobicContact CB-CG2 4.24Å; L575-V582 HydrophobicContact CD2-CG2 3.91Å; L575-V582 HydrophobicContact CG-CB 4.48Å; L575-V582 HydrophobicContact CG-CG2 3.85Å; L575-V582 WeakPolarHBondContact O-CB 3.48Å; L575-V582 PolarHBondContact O-N 3.43Å; L577-V582 HydrophobicContact CB-CG2 4Å; R580-V582 PolarHBondContact O-N 2.92Å; V582-N584 PolarHBondContact O-N 2.82Å; V582-L588 HydrophobicContact CG1-CB 4.44Å; V582-L588 HydrophobicContact CG1-CD1 4.39Å; V582-V589 HydrophobicContact CG1-CG2 4.44Å |
| 583 | P | 86.1 | Confident | 87.2 | Confident | 82 Ų | 82 | 61.1 Ų | 61.1 | 53% | 0.532 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -59 | 137 | -178.5 | -23.8 | 33.5 | 0 | 0 | 0 | 111.6 | L581 N585 L588 | L581-P583 WeakPolarHBondContact O-CD 3.49Å; P583-N585 PolarHBondContact O-N 2.9Å; P583-L588 HydrophobicContact CB-CD1 4.47Å |
| 584 | N | 81.1 | Confident | 86.5 | Confident | 130 Ų | 130 | 63.3 Ų | 63.3 | 70% | 0.695 | 33% | 0.33 | S | S | * | . | trans | -75.2 | 73.6 | 174.3 | -167.3 | 13.9 | 0 | 0 | 0 | 110.5 | V582 | V582-N584 PolarHBondContact O-N 2.82Š| ||
| 585 | N | 82.7 | Confident | 85.6 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | trans | -108.9 | 133.8 | 175.2 | 175.1 | -1.1 | 0 | 0 | 0 | 108.5 | P583 E587 L588 V589 | P583-N585 PolarHBondContact O-N 2.9Å; N585-E587 PolarHBondContact ND2-OE2 3.29Å; N585-E587 PolarHBondContact O-N 3.42Å; N585-E587 PolarHBondContact OD1-N 3.12Å; N585-E587 VanDerWaalsContact OD1-N 3.09Å; N585-L588 HydrophobicContact CB-CD1 4.4Å; N585-L588 HydrophobicContact CB-CG 4.46Å; N585-L588 PolarHBondContact O-N 3.04Å; N585-V589 PolarHBondContact O-N 2.82Å | ||
| 586 | P | 81.4 | Confident | 84.4 | Confident | 103 Ų | 103 | 67.5 Ų | 67.5 | 67% | 0.669 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -23 | 175.9 | 21 | -35.5 | 0 | 0 | 0 | 115.5 | ||
| 587 | E | 80.6 | Confident | 83.3 | Confident | 148 Ų | 148 | 68 Ų | 68 | 69% | 0.692 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -33.6 | 172.7 | -66.1 | -178.8 | 159.1 | 0 | 0 | 112.7 | N585 | N585-E587 PolarHBondContact ND2-OE2 3.29Å; N585-E587 PolarHBondContact O-N 3.42Å; N585-E587 PolarHBondContact OD1-N 3.12Å; N585-E587 VanDerWaalsContact OD1-N 3.09Å |
| 588 | L | 82.3 | Confident | 81.7 | Confident | 58 Ų | 58 | 71.7 Ų | 71.7 | 30% | 0.304 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -32.8 | -177.2 | -64.4 | 175.6 | 0 | 0 | 0 | 112.6 | F532 D533 V582 P583 N585 | F532-L588 CarbonylContact C-O 3.54Å; F532-L588 WeakPolarHBondContact CA-O 3.29Å; D533-L588 PolarHBondContact N-O 3.24Å; D533-L588 WeakPolarHBondContact O-CD2 3.24Å; V582-L588 HydrophobicContact CG1-CB 4.44Å; V582-L588 HydrophobicContact CG1-CD1 4.39Å; P583-L588 HydrophobicContact CB-CD1 4.47Å; N585-L588 HydrophobicContact CB-CD1 4.4Å; N585-L588 HydrophobicContact CB-CG 4.46Å; N585-L588 PolarHBondContact O-N 3.04Å |
| 589 | V | 87.9 | Confident | 80.1 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 113.6 | -173.2 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | R531 F532 V582 N585 I591 | R531-V589 WeakPolarHBondContact O-CA 3.27Å; F532-V589 HydrophobicContact CD1-CB 4.45Å; F532-V589 HydrophobicContact CD1-CG1 4.17Å; F532-V589 HydrophobicContact CD1-CG2 3.69Å; F532-V589 HydrophobicContact CE1-CB 4.38Å; F532-V589 HydrophobicContact CE1-CG1 3.76Å; F532-V589 HydrophobicContact CE1-CG2 3.71Å; F532-V589 HydrophobicContact CZ-CG1 4.28Å; V582-V589 HydrophobicContact CG1-CG2 4.44Å; N585-V589 PolarHBondContact O-N 2.82Å; V589-I591 HydrophobicContact CG1-CG1 4.17Å |
| 590 | Q | 87.2 | Confident | 78.4 | Confident | 88 Ų | 88 | 76.8 Ų | 76.8 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.4 | 172 | -59.8 | 175.7 | 1.1 | 0 | 0 | 109.5 | W530 R531 | W530-Q590 CarbonylContact C-O 3.54Å; W530-Q590 WeakPolarHBondContact CA-O 3.42Å; R531-Q590 HydrophobicContact CB-CB 4.25Å; R531-Q590 PolarHBondContact N-O 2.9Å; R531-Q590 PolarHBondContact O-N 2.94Å |
| 591 | I | 86.2 | Confident | 76.6 | Confident | 76 Ų | 76 | 70.7 Ų | 70.7 | 39% | 0.39 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.4 | 179.7 | -52.3 | 179.7 | 0 | 0 | 0 | 108.5 | P527 Q529 W530 V589 | P527-I591 HydrophobicContact CB-CG2 3.84Å; P527-I591 HydrophobicContact CG-CG2 4.4Å; Q529-I591 CarbonylContact O-C 3.53Å; Q529-I591 WeakPolarHBondContact O-CA 3.21Å; W530-I591 HydrophobicContact CG-CG1 4.5Å; V589-I591 HydrophobicContact CG1-CG1 4.17Å |
| 592 | A | 85.5 | Confident | 74.6 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 28% | 0.281 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S528 Q529 | S528-A592 PolarHBondContact N-O 3.34Å; S528-A592 PolarHBondContact OG-O 2.83Å; Q529-A592 HydrophobicContact CB-CB 4.25Å; Q529-A592 PolarHBondContact N-O 2.81Å; Q529-A592 PolarHBondContact O-N 2.81Å |
| 593 | E | 81.2 | Confident | 72.6 | Confident | 88 Ų | 88 | 78.8 Ų | 78.8 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 143.9 | 179.7 | -54.6 | -174.4 | 149.8 | 0 | 0 | 110.9 | L525 L526 | L525-E593 HydrophobicContact CB-CB 3.83Å; L525-E593 WeakPolarHBondContact CB-OE2 3.05Å; L526-E593 CarbonylContact O-C 3.6Å; L526-E593 WeakPolarHBondContact O-CA 3.47Å; L526-E593 WeakPolarHBondContact O-CB 3.5Å |
| 594 | N | 76.5 | Confident | 70.6 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 32% | 0.321 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 160.7 | 174.3 | -77.5 | -53 | 0 | 0 | 0 | 110.4 | L526 S528 | L526-N594 PolarHBondContact N-O 2.8Å; L526-N594 VanDerWaalsContact N-O 3.08Å; L526-N594 PolarHBondContact O-N 3.29Å; S528-N594 WeakPolarHBondContact OG-CB 3.27Å; S528-N594 PolarHBondContact OG-N 2.81Å; S528-N594 PolarHBondContact OG-ND2 2.91Å |
| 595 | M | 74.8 | Confident | 69.1 | Low | 82 Ų | 82 | 81.1 Ų | 81.1 | 40% | 0.404 | 42% | 0.422 | S | S | . | . | trans | -66.9 | 146.6 | 168.9 | -68.7 | -66.8 | -61 | 0 | 0 | 110.5 | S522 S523 L525 | S522-M595 WeakPolarHBondContact O-CE 3.39Å; S523-M595 VanDerWaalsContact C-SD 3.54Å; L525-M595 HydrophobicContact CD2-CG 3.9Å; L525-M595 HydrophobicContact CD2-SD 4.03Å | ||
| 596 | P | 71.3 | Confident | 67.9 | Low | 41 Ų | 41 | 79.7 Ų | 79.7 | 27% | 0.266 | 41% | 0.413 | S | S | . | . | trans | -54.3 | 152.1 | 167.8 | -22.9 | 33.2 | 0 | 0 | 0 | 111.5 | R510 L526 V598 | R510-P596 HydrophobicContact CB-CB 4.25Å; L526-P596 HydrophobicContact CD1-CG 4.13Å; P596-V598 VanDerWaalsContact O-CG2 3.28Å; P596-V598 WeakPolarHBondContact O-CG2 3.3Å; P596-V598 PolarHBondContact O-N 2.86Å; P596-V598 VanDerWaalsContact O-N 3.11Å | ||
| 597 | M | 70.4 | Confident | 67.4 | Low | 20 Ų | 20 | 80.3 Ų | 80.3 | 10% | 0.099 | 41% | 0.406 | C | S | . | . | trans | -66.6 | 112.9 | -179.9 | -72.3 | 178.1 | 40.3 | 0 | 0 | 110.9 | R492 R509 R510 P512 H599 L600 | R492-M597 HydrophobicContact CB-CE 4.29Å; R509-M597 HydrophobicContact CB-CG 4.26Å; R509-M597 HydrophobicContact CB-SD 3.73Å; R509-M597 HydrophobicContact CG-SD 4.48Å; R510-M597 PolarHBondContact O-N 2.62Å; P512-M597 WeakPolarHBondContact CD-O 3.48Å; P512-M597 WeakPolarHBondContact CG-O 3.43Å; M597-H599 VanDerWaalsContact C-N 3.29Å; M597-H599 PolarHBondContact O-N 2.79Å; M597-L600 HydrophobicContact CE-CD2 4.1Å | ||
| 598 | V | 59.6 | Low | 67.4 | Low | 95 Ų | 95 | 73.5 Ų | 73.5 | 58% | 0.576 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -83.1 | 3.5 | -170.9 | -166.5 | 0 | 0 | 0 | 0 | 113.8 | P596 | P596-V598 VanDerWaalsContact O-CG2 3.28Å; P596-V598 WeakPolarHBondContact O-CG2 3.3Å; P596-V598 PolarHBondContact O-N 2.86Å; P596-V598 VanDerWaalsContact O-N 3.11Å |
| 599 | H | 54.9 | Low | 67.6 | Low | 143 Ų | 143 | 73.4 Ų | 73.4 | 66% | 0.662 | 37% | 0.37 | S | S | * | . | trans | -145.5 | 69.9 | -173.5 | -124.3 | 73.1 | 0 | 0 | 0 | 111.8 | K490 R492 M597 | K490-H599 PolarHBondContact NZ-O 2.9Å; R492-H599 PolarHBondContact NH1-O 2.81Å; M597-H599 VanDerWaalsContact C-N 3.29Å; M597-H599 PolarHBondContact O-N 2.79Å | ||
| 600 | L | 51.5 | Low | 67.6 | Low | 32 Ų | 32 | 73 Ų | 73 | 17% | 0.168 | 37% | 0.368 | C | S | . | . | trans | -84.2 | 126 | 158.6 | -61.4 | -179.9 | 0 | 0 | 0 | 107.1 | E511 P512 M597 V602 E606 | E511-L600 HydrophobicContact CB-CD1 3.82Å; E511-L600 HydrophobicContact CG-CD1 4.04Å; E511-L600 HydrophobicContact CG-CD2 4.22Å; P512-L600 HydrophobicContact CG-CD1 3.81Å; P512-L600 HydrophobicContact CG-CG 4.13Å; M597-L600 HydrophobicContact CE-CD2 4.1Å; L600-V602 PolarHBondContact O-N 3.33Å; L600-E606 WeakPolarHBondContact CD2-OE2 3.39Å | ||
| 601 | S | 48.8 | Very low | 67.8 | Low | 37 Ų | 37 | 68.8 Ų | 68.8 | 26% | 0.259 | 35% | 0.348 | S | S | . | . | trans | -61.4 | 111.2 | 173.1 | 100.5 | 0 | 0 | 0 | 0 | 108.1 | K603 N604 E606 | S601-K603 PolarHBondContact O-N 3.4Å; S601-N604 CarbonylContact O-C 3.52Å; S601-N604 PolarHBondContact O-N 2.77Å; S601-N604 PolarHBondContact OG-N 2.94Å; S601-N604 PolarHBondContact OG-O 3.29Å; S601-E606 PolarHBondContact N-OE1 3.16Å; S601-E606 VanDerWaalsContact N-OE1 3.13Å | ||
| 602 | V | 47.5 | Very low | 68.2 | Low | 75 Ų | 75 | 65.2 Ų | 65.2 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.2 | -178.3 | 170.8 | 0 | 0 | 0 | 0 | 112.4 | E515 L518 L600 | E515-V602 HydrophobicContact CG-CG1 3.88Å; E515-V602 HydrophobicContact CG-CG2 4.05Å; E515-V602 WeakPolarHBondContact OE1-CG1 3.24Å; L518-V602 HydrophobicContact CD1-CG2 4.2Å; L600-V602 PolarHBondContact O-N 3.33Å |
| 603 | K | 47.3 | Very low | 68.6 | Low | 194 Ų | 194 | 63.6 Ų | 63.6 | 84% | 0.843 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -23.5 | -174.5 | -71.9 | -171.9 | 176.4 | 179.7 | 0 | 114.7 | S601 | S601-K603 PolarHBondContact O-N 3.4Š|
| 604 | N | 44.6 | Very low | 69.2 | Low | 96 Ų | 96 | 59.4 Ų | 59.4 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -128.8 | 112 | 173.8 | -68.5 | -24.2 | 0 | 0 | 0 | 105.4 | S601 E606 | S601-N604 CarbonylContact O-C 3.52Å; S601-N604 PolarHBondContact O-N 2.77Å; S601-N604 PolarHBondContact OG-N 2.94Å; S601-N604 PolarHBondContact OG-O 3.29Å; N604-E606 VanDerWaalsContact C-N 3.28Å; N604-E606 PolarHBondContact O-N 3.47Å |
| 605 | H | 49.7 | Very low | 70 | Confident | 166 Ų | 166 | 56.5 Ų | 56.5 | 77% | 0.769 | 28% | 0.281 | S | S | * | . | trans | -49.6 | 105.7 | 160.4 | -70.1 | 64.9 | 0 | 0 | 0 | 105.2 | F607 | H605-F607 PolarHBondContact O-N 2.77Š| ||
| 606 | E | 56.2 | Low | 70.8 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 13% | 0.131 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 117.4 | -166.1 | -76.6 | 167.5 | 165.1 | 0 | 0 | 106.4 | K490 R492 L600 S601 N604 V608 | K490-E606 IonicContact NZ-OE1 3.65Å; K490-E606 PolarHBondContact NZ-OE1 2.91Å; R492-E606 IonicContact CZ-OE2 2.89Å; R492-E606 IonicContact NH1-OE2 2.62Å; R492-E606 IonicContact NH2-OE1 3.65Å; R492-E606 PolarHBondContact NH2-OE1 3.27Å; R492-E606 IonicContact NH2-OE2 3.04Å; R492-E606 PolarHBondContact NH2-OE2 2.82Å; L600-E606 WeakPolarHBondContact CD2-OE2 3.39Å; S601-E606 PolarHBondContact N-OE1 3.16Å; S601-E606 VanDerWaalsContact N-OE1 3.13Å; N604-E606 VanDerWaalsContact C-N 3.28Å; N604-E606 PolarHBondContact O-N 3.47Å; E606-V608 PolarHBondContact O-N 3.5Å; E606-V608 VanDerWaalsContact O-N 3.12Å |
| 607 | F | 71 | Confident | 71.7 | Confident | 115 Ų | 115 | 54 Ų | 54 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 121.6 | 175.5 | -66.2 | -87.3 | 0 | 0 | 0 | 106.1 | E487 Y488 H605 | E487-F607 HydrophobicContact CB-CB 3.98Å; E487-F607 WeakPolarHBondContact CB-O 3.45Å; E487-F607 PolarHBondContact N-O 2.75Å; E487-F607 VanDerWaalsContact OE2-CB 3.24Å; E487-F607 WeakPolarHBondContact OE2-CB 3.37Å; Y488-F607 HydrophobicContact CD2-CB 4.29Å; Y488-F607 HydrophobicContact CD2-CD2 4.35Å; Y488-F607 HydrophobicContact CE2-CB 3.97Å; Y488-F607 AromaticContact CE2-CD2 3.9Å; Y488-F607 HydrophobicContact CE2-CD2 3.9Å; Y488-F607 HydrophobicContact CE2-CG 4.22Å; H605-F607 PolarHBondContact O-N 2.77Å |
| 608 | V | 80.8 | Confident | 72.3 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135 | 174 | -66.3 | 0 | 0 | 0 | 0 | 108.3 | N441 S485 E606 | N441-V608 PolarHBondContact ND2-O 3.32Å; S485-V608 CarbonylContact O-C 3.44Å; S485-V608 VanDerWaalsContact O-CA 3.27Å; S485-V608 WeakPolarHBondContact O-CA 3.23Å; E606-V608 PolarHBondContact O-N 3.5Å; E606-V608 VanDerWaalsContact O-N 3.12Å |
| 609 | R | 85.9 | Confident | 73.4 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 21% | 0.208 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 116.4 | 173.5 | -162.7 | 172.6 | -146.7 | 138 | 7 | 109.8 | D439 N441 S484 S485 E487 W616 | D439-R609 IonicContact OD1-NE 3.57Å; D439-R609 IonicContact OD2-CZ 3.75Å; D439-R609 IonicContact OD2-NE 3.12Å; D439-R609 PolarHBondContact OD2-NE 3.12Å; D439-R609 IonicContact OD2-NH2 2.98Å; D439-R609 PolarHBondContact OD2-NH2 2.78Å; N441-R609 WeakPolarHBondContact ND2-CA 3.27Å; S484-R609 WeakPolarHBondContact CA-O 3.36Å; S485-R609 PolarHBondContact N-O 2.81Å; S485-R609 PolarHBondContact O-N 3.06Å; E487-R609 HydrophobicContact CB-CB 4.32Å; E487-R609 HydrophobicContact CG-CB 4.5Å; R609-W616 HydrophobicContact CB-CB 4.2Å; R609-W616 HydrophobicContact CB-CG 4.25Å; R609-W616 VanDerWaalsContact CD-CG 3.44Å; R609-W616 HydrophobicContact CG-CB 4.25Å; R609-W616 HydrophobicContact CG-CG 4.33Å |
| 610 | T | 88.7 | Confident | 74.8 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.5 | 179 | -49.5 | 0 | 0 | 0 | 0 | 110.7 | L440 N441 L482 C483 S484 | L440-T610 WeakPolarHBondContact CB-O 3.48Å; L440-T610 HydrophobicContact CD1-CG2 3.82Å; L440-T610 PolarHBondContact N-O 3.38Å; N441-T610 PolarHBondContact OD1-N 3.47Å; L482-T610 HydrophobicContact CD1-CG2 3.88Å; C483-T610 CarbonylContact O-C 3.58Å; C483-T610 WeakPolarHBondContact O-CA 3.08Å; C483-T610 WeakPolarHBondContact O-CG2 3.36Å; S484-T610 PolarHBondContact OG-OG1 2.78Å |
| 611 | S | 91.4 | Very high | 76.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 151.1 | -178.1 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | Y438 L482 C483 A614 | Y438-S611 CarbonylContact O-C 3.58Å; Y438-S611 VanDerWaalsContact O-CA 3.23Å; Y438-S611 WeakPolarHBondContact O-CA 3.36Å; L482-S611 WeakPolarHBondContact CA-O 3.24Å; C483-S611 PolarHBondContact N-O 3.4Å; C483-S611 PolarHBondContact O-N 3.18Å; S611-A614 PolarHBondContact OG-O 2.53Å |
| 612 | V | 93.7 | Very high | 78.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.1 | 171.4 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | L390 L391 F432 Y437 Y438 L440 I481 L482 A614 L631 L634 | L390-V612 HydrophobicContact CB-CG2 4.05Å; L391-V612 HydrophobicContact CD2-CG1 4.26Å; F432-V612 HydrophobicContact CE1-CG1 4.44Å; F432-V612 HydrophobicContact CZ-CG1 3.99Å; Y437-V612 CarbonylContact C-O 3.54Å; Y437-V612 WeakPolarHBondContact CA-O 3.35Å; Y438-V612 PolarHBondContact N-O 2.76Å; Y438-V612 PolarHBondContact O-N 3.24Å; L440-V612 HydrophobicContact CD1-CG2 4.23Å; I481-V612 CarbonylContact O-C 3.55Å; I481-V612 VanDerWaalsContact O-CA 3.29Å; I481-V612 WeakPolarHBondContact O-CA 3.37Å; I481-V612 WeakPolarHBondContact O-CG1 3.3Å; L482-V612 HydrophobicContact CD1-CG2 4.09Å; V612-A614 VanDerWaalsContact C-N 3.29Å; V612-A614 PolarHBondContact O-N 2.88Å; V612-L631 HydrophobicContact CG1-CD1 4.16Å; V612-L634 HydrophobicContact CB-CD2 4.37Å; V612-L634 HydrophobicContact CG1-CD2 3.61Å; V612-L634 HydrophobicContact CG2-CD2 3.77Å |
| 613 | G | 94.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 79.8 | -0.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N480 I481 H626 F627 | N480-G613 CarbonylContact O-C 3.54Å; N480-G613 WeakPolarHBondContact O-CA 3.46Å; N480-G613 PolarHBondContact O-N 3.23Å; I481-G613 PolarHBondContact O-N 3.12Å; G613-H626 CarbonylContact O-C 3.52Å; G613-H626 VanDerWaalsContact O-CA 3.24Å; G613-H626 WeakPolarHBondContact O-CA 3.35Å; G613-F627 PolarHBondContact O-N 2.95Å |
| 614 | A | 94.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -163.3 | 172.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y437 N480 S611 V612 F623 H626 | Y437-A614 HydrophobicContact CG-CB 4.48Å; N480-A614 PolarHBondContact O-N 2.88Å; S611-A614 PolarHBondContact OG-O 2.53Å; V612-A614 VanDerWaalsContact C-N 3.29Å; V612-A614 PolarHBondContact O-N 2.88Å; A614-F623 HydrophobicContact CB-CB 3.98Å; A614-F623 HydrophobicContact CB-CD1 4.09Å; A614-F623 HydrophobicContact CB-CG 4.42Å; A614-H626 VanDerWaalsContact CB-CD2 3.48Å; A614-H626 WeakPolarHBondContact CB-CD2 3.21Å |
| 615 | C | 93.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.2 | 168.9 | -159.3 | 0 | 0 | 0 | 0 | 112 | N480 C483 F623 A624 | N480-C615 HydrophobicContact CB-CB 4.38Å; C483-C615 HydrophobicContact CB-CB 3.46Å; C483-C615 VanDerWaalsContact CB-CB 3.46Å; C483-C615 WeakPolarHBondContact CB-SG 3.05Å; C483-C615 WeakPolarHBondContact SG-CB 3.42Å; C483-C615 CovalentContact SG-SG 2.04Å; C483-C615 PolarHBondContact SG-SG 3.14Å; C615-F623 WeakPolarHBondContact O-CA 3.21Å; C615-A624 PolarHBondContact N-O 2.85Å; C615-A624 PolarHBondContact O-N 3.37Å |
| 616 | W | 91.8 | Very high | 86.9 | Confident | 35 Ų | 35 | 40.9 Ų | 40.9 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123 | 177.6 | 175.8 | -102.6 | 0 | 0 | 0 | 111 | S485 D486 E487 R609 A621 F623 | S485-W616 WeakPolarHBondContact CB-O 3.34Å; S485-W616 WeakPolarHBondContact OG-CB 3.24Å; S485-W616 PolarHBondContact OG-O 2.8Å; D486-W616 VanDerWaalsContact O-CD1 3.27Å; E487-W616 PolarHBondContact O-NE1 2.91Å; R609-W616 HydrophobicContact CB-CB 4.2Å; R609-W616 HydrophobicContact CB-CG 4.25Å; R609-W616 VanDerWaalsContact CD-CG 3.44Å; R609-W616 HydrophobicContact CG-CB 4.25Å; R609-W616 HydrophobicContact CG-CG 4.33Å; W616-A621 VanDerWaalsContact CH2-O 3.25Å; W616-A621 WeakPolarHBondContact CH2-O 3.27Å; W616-F623 HydrophobicContact CB-CD1 4.17Å; W616-F623 HydrophobicContact CB-CE1 3.86Å; W616-F623 HydrophobicContact CB-CZ 4.48Å; W616-F623 HydrophobicContact CE3-CD1 4.24Å; W616-F623 AromaticContact CE3-CD2 3.78Å; W616-F623 HydrophobicContact CE3-CD2 3.78Å; W616-F623 HydrophobicContact CE3-CE1 4.06Å; W616-F623 AromaticContact CE3-CE2 3.59Å; W616-F623 HydrophobicContact CE3-CE2 3.59Å; W616-F623 HydrophobicContact CE3-CG 4.12Å; W616-F623 AromaticContact CE3-CZ 3.75Å; W616-F623 HydrophobicContact CE3-CZ 3.75Å; W616-F623 HydrophobicContact CZ3-CD2 4.05Å; W616-F623 AromaticContact CZ3-CE2 3.88Å; W616-F623 HydrophobicContact CZ3-CE2 3.88Å; W616-F623 HydrophobicContact CZ3-CZ 4.43Å |
| 617 | H | 90.2 | Very high | 88.7 | Confident | 36 Ų | 36 | 39.5 Ų | 39.5 | 17% | 0.167 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 108.5 | 174.9 | -74.2 | -161.4 | 0 | 0 | 0 | 109.4 | H493 S620 A621 Q622 | H493-H617 AromaticContact CE1-NE2 3.9Å; H493-H617 AromaticContact NE2-CD2 3.79Å; H493-H617 AromaticContact NE2-NE2 3.68Å; H617-S620 WeakPolarHBondContact CB-OG 3.37Å; H617-S620 PolarHBondContact O-N 3.12Å; H617-S620 PolarHBondContact O-OG 2.82Å; H617-A621 WeakPolarHBondContact O-CA 3.37Å; H617-A621 PolarHBondContact O-N 3.25Å; H617-Q622 PolarHBondContact N-O 3.11Å; H617-Q622 PolarHBondContact O-N 3.37Å |
| 618 | V | 83.8 | Confident | 89.7 | Confident | 29 Ų | 29 | 35.8 Ų | 35.8 | 18% | 0.176 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -46.4 | -178 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | D486 K490 N491 S620 A621 | D486-V618 HydrophobicContact CB-CG2 4.26Å; D486-V618 WeakPolarHBondContact O-CG2 3.47Å; K490-V618 WeakPolarHBondContact O-CB 3.28Å; K490-V618 WeakPolarHBondContact O-CG2 2.96Å; N491-V618 VanDerWaalsContact OD1-CA 3.3Å; N491-V618 WeakPolarHBondContact OD1-CA 3.2Å; N491-V618 VanDerWaalsContact OD1-CB 3.27Å; N491-V618 WeakPolarHBondContact OD1-CB 3.25Å; N491-V618 PolarHBondContact OD1-N 2.97Å; V618-S620 PolarHBondContact O-N 2.88Å; V618-A621 WeakPolarHBondContact O-CA 3.26Å; V618-A621 PolarHBondContact O-N 3.38Å |
| 619 | R | 82.3 | Confident | 90.2 | Very high | 196 Ų | 196 | 35.5 Ų | 35.5 | 74% | 0.74 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -37.1 | -178.6 | -70.8 | -178.9 | -177.4 | -173.1 | -2.3 | 112.6 | N491 | N491-R619 VanDerWaalsContact ND2-CB 3.31Å; N491-R619 WeakPolarHBondContact ND2-CB 3.37Å; N491-R619 WeakPolarHBondContact ND2-CD 3.44Å; N491-R619 WeakPolarHBondContact ND2-CG 3.17Å; N491-R619 PolarHBondContact OD1-N 2.94Å |
| 620 | S | 84.6 | Confident | 90.5 | Very high | 51 Ų | 51 | 35.9 Ų | 35.9 | 36% | 0.357 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -2.1 | 176.9 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | H617 V618 Q622 | H617-S620 WeakPolarHBondContact CB-OG 3.37Å; H617-S620 PolarHBondContact O-N 3.12Å; H617-S620 PolarHBondContact O-OG 2.82Å; V618-S620 PolarHBondContact O-N 2.88Å; S620-Q622 PolarHBondContact O-N 3.4Å; S620-Q622 WeakPolarHBondContact OG-CG 3.06Å |
| 621 | A | 87 | Confident | 90.7 | Very high | 69 Ų | 69 | 35.8 Ų | 35.8 | 57% | 0.57 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.2 | 38 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W616 H617 V618 | W616-A621 VanDerWaalsContact CH2-O 3.25Å; W616-A621 WeakPolarHBondContact CH2-O 3.27Å; H617-A621 WeakPolarHBondContact O-CA 3.37Å; H617-A621 PolarHBondContact O-N 3.25Å; V618-A621 WeakPolarHBondContact O-CA 3.26Å; V618-A621 PolarHBondContact O-N 3.38Å |
| 622 | Q | 89.4 | Confident | 90.6 | Very high | 113 Ų | 113 | 35.8 Ų | 35.8 | 53% | 0.528 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 159.1 | -175.7 | 70.6 | -175.9 | -2.9 | 0 | 0 | 111.2 | H617 S620 | H617-Q622 PolarHBondContact N-O 3.11Å; H617-Q622 PolarHBondContact O-N 3.37Å; S620-Q622 PolarHBondContact O-N 3.4Å; S620-Q622 WeakPolarHBondContact OG-CG 3.06Å |
| 623 | F | 91.7 | Very high | 90.3 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 138.8 | 166.8 | -70.3 | -81.9 | 0 | 0 | 0 | 110 | Y437 D439 A614 C615 W616 H626 | Y437-F623 HydrophobicContact CD1-CB 3.89Å; Y437-F623 AromaticContact CD1-CD2 3.97Å; Y437-F623 HydrophobicContact CD1-CD2 3.97Å; Y437-F623 AromaticContact CD1-CG 3.94Å; Y437-F623 HydrophobicContact CD1-CG 3.94Å; Y437-F623 HydrophobicContact CD2-CD1 4.24Å; Y437-F623 AromaticContact CD2-CD2 3.68Å; Y437-F623 HydrophobicContact CD2-CD2 3.68Å; Y437-F623 HydrophobicContact CD2-CE1 4.24Å; Y437-F623 AromaticContact CD2-CE2 3.68Å; Y437-F623 HydrophobicContact CD2-CE2 3.68Å; Y437-F623 AromaticContact CD2-CG 3.96Å; Y437-F623 HydrophobicContact CD2-CG 3.96Å; Y437-F623 AromaticContact CD2-CZ 3.97Å; Y437-F623 HydrophobicContact CD2-CZ 3.97Å; Y437-F623 HydrophobicContact CE1-CB 4.05Å; Y437-F623 AromaticContact CE1-CD2 3.61Å; Y437-F623 HydrophobicContact CE1-CD2 3.61Å; Y437-F623 HydrophobicContact CE1-CE2 4.38Å; Y437-F623 HydrophobicContact CE1-CG 4.02Å; Y437-F623 AromaticContact CE2-CD2 3.32Å; Y437-F623 HydrophobicContact CE2-CD2 3.32Å; Y437-F623 AromaticContact CE2-CE2 3.22Å; Y437-F623 HydrophobicContact CE2-CE2 3.22Å; Y437-F623 HydrophobicContact CE2-CG 4.07Å; Y437-F623 AromaticContact CE2-CZ 3.92Å; Y437-F623 HydrophobicContact CE2-CZ 3.92Å; Y437-F623 HydrophobicContact CG-CB 4.26Å; Y437-F623 HydrophobicContact CG-CD1 4.28Å; Y437-F623 HydrophobicContact CG-CD2 4Å; Y437-F623 HydrophobicContact CG-CE2 4.44Å; Y437-F623 AromaticContact CG-CG 3.91Å; Y437-F623 HydrophobicContact CG-CG 3.91Å; Y437-F623 AromaticContact CZ-CD2 3.27Å; Y437-F623 AromaticContact CZ-CE2 3.62Å; D439-F623 HydrophobicContact CB-CZ 4.07Å; A614-F623 HydrophobicContact CB-CB 3.98Å; A614-F623 HydrophobicContact CB-CD1 4.09Å; A614-F623 HydrophobicContact CB-CG 4.42Å; C615-F623 WeakPolarHBondContact O-CA 3.21Å; W616-F623 HydrophobicContact CB-CD1 4.17Å; W616-F623 HydrophobicContact CB-CE1 3.86Å; W616-F623 HydrophobicContact CB-CZ 4.48Å; W616-F623 HydrophobicContact CE3-CD1 4.24Å; W616-F623 AromaticContact CE3-CD2 3.78Å; W616-F623 HydrophobicContact CE3-CD2 3.78Å; W616-F623 HydrophobicContact CE3-CE1 4.06Å; W616-F623 AromaticContact CE3-CE2 3.59Å; W616-F623 HydrophobicContact CE3-CE2 3.59Å; W616-F623 HydrophobicContact CE3-CG 4.12Å; W616-F623 AromaticContact CE3-CZ 3.75Å; W616-F623 HydrophobicContact CE3-CZ 3.75Å; W616-F623 HydrophobicContact CZ3-CD2 4.05Å; W616-F623 AromaticContact CZ3-CE2 3.88Å; W616-F623 HydrophobicContact CZ3-CE2 3.88Å; W616-F623 HydrophobicContact CZ3-CZ 4.43Å; F623-H626 PolarHBondContact O-CE1 3.08Å |
| 624 | A | 91 | Very high | 90.2 | Very high | 18 Ų | 18 | 36.2 Ų | 36.2 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 175.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | C615 H626 | C615-A624 PolarHBondContact N-O 2.85Å; C615-A624 PolarHBondContact O-N 3.37Å; A624-H626 VanDerWaalsContact C-N 3.32Å; A624-H626 PolarHBondContact O-N 2.87Å |
| 625 | Q | 91.9 | Very high | 90 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 23% | 0.229 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 54.9 | 48.7 | 177.2 | -61.6 | 178.2 | 3.8 | 0 | 0 | 112 | R478 N480 | R478-Q625 HydrophobicContact CB-CB 4.37Å; R478-Q625 HydrophobicContact CB-CG 4.12Å; R478-Q625 CarbonylContact O-C 3.59Å; R478-Q625 VanDerWaalsContact O-CA 3.25Å; R478-Q625 WeakPolarHBondContact O-CA 3.34Å; R478-Q625 WeakPolarHBondContact O-CB 3.35Å; N480-Q625 PolarHBondContact N-O 3.42Å; N480-Q625 WeakPolarHBondContact ND2-CB 3.48Å; N480-Q625 PolarHBondContact ND2-O 3.27Å; N480-Q625 PolarHBondContact ND2-OE1 3.19Å |
| 626 | H | 92.7 | Very high | 89.8 | Confident | 39 Ų | 39 | 36.5 Ų | 36.5 | 18% | 0.181 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 142.3 | -174.7 | -62 | 91.4 | 0 | 0 | 0 | 111.5 | G434 Y437 G613 A614 F623 A624 | G434-H626 WeakPolarHBondContact O-CB 3.4Å; Y437-H626 AromaticContact CD1-NE2 3.94Å; G613-H626 CarbonylContact O-C 3.52Å; G613-H626 VanDerWaalsContact O-CA 3.24Å; G613-H626 WeakPolarHBondContact O-CA 3.35Å; A614-H626 VanDerWaalsContact CB-CD2 3.48Å; A614-H626 WeakPolarHBondContact CB-CD2 3.21Å; F623-H626 PolarHBondContact O-CE1 3.08Å; A624-H626 VanDerWaalsContact C-N 3.32Å; A624-H626 PolarHBondContact O-N 2.87Å |
| 627 | F | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -75.6 | 144 | 174.1 | 176.7 | -108.5 | 0 | 0 | 0 | 112 | F432 G434 M463 H465 E479 N480 I481 L499 G613 G629 L631 | F432-F627 HydrophobicContact CB-CD1 3.74Å; F432-F627 HydrophobicContact CB-CE1 4.46Å; F432-F627 VanDerWaalsContact CB-O 3.3Å; F432-F627 WeakPolarHBondContact CB-O 3.47Å; F432-F627 AromaticContact CD2-CD1 3.98Å; F432-F627 HydrophobicContact CD2-CD1 3.98Å; F432-F627 HydrophobicContact CD2-CE1 4.36Å; F432-F627 AromaticContact CG-CD1 3.9Å; F432-F627 HydrophobicContact CG-CD1 3.9Å; G434-F627 PolarHBondContact N-O 2.88Å; M463-F627 HydrophobicContact CG-CE2 4.21Å; M463-F627 HydrophobicContact CG-CZ 3.77Å; M463-F627 HydrophobicContact SD-CE2 3.84Å; M463-F627 HydrophobicContact SD-CZ 4.04Å; H465-F627 AromaticContact CD2-CE2 3.98Å; E479-F627 HydrophobicContact CB-CD2 4.3Å; E479-F627 WeakPolarHBondContact OE2-CD2 3.28Å; N480-F627 WeakPolarHBondContact O-CB 3.5Å; I481-F627 HydrophobicContact CG1-CD2 4.24Å; I481-F627 HydrophobicContact CG1-CE2 4.43Å; L499-F627 HydrophobicContact CD1-CD2 4.36Å; L499-F627 HydrophobicContact CD1-CE2 3.92Å; G613-F627 PolarHBondContact O-N 2.95Å; F627-G629 VanDerWaalsContact CE1-C 3.44Å; F627-L631 HydrophobicContact CD1-CD1 4.05Å; F627-L631 HydrophobicContact CD1-CG 4.06Å; F627-L631 HydrophobicContact CE1-CD1 4.12Å; F627-L631 HydrophobicContact CE1-CD2 3.87Å; F627-L631 HydrophobicContact CE1-CG 3.61Å; F627-L631 HydrophobicContact CZ-CD2 4.02Å; F627-L631 HydrophobicContact CZ-CG 4.28Å | ||
| 628 | V | 90.9 | Very high | 89.3 | Confident | 36 Ų | 36 | 34.7 Ų | 34.7 | 22% | 0.218 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 106.2 | 175.1 | -166.4 | 0 | 0 | 0 | 0 | 110 | F432 H465 S466 E479 | F432-V628 WeakPolarHBondContact O-CA 3.29Å; H465-V628 PolarHBondContact CD2-O 2.99Å; H465-V628 VanDerWaalsContact CD2-O 3.22Å; S466-V628 VanDerWaalsContact CB-O 3.26Å; S466-V628 WeakPolarHBondContact CB-O 3.25Å; S466-V628 PolarHBondContact N-O 3.06Å; S466-V628 VanDerWaalsContact N-O 3.16Å; E479-V628 PolarHBondContact OE2-N 2.95Å |
| 629 | G | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.2 | -159.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y431 F432 K464 F627 | Y431-G629 WeakPolarHBondContact CD2-O 3.47Å; F432-G629 PolarHBondContact N-O 2.77Å; F432-G629 PolarHBondContact O-N 3.22Å; K464-G629 WeakPolarHBondContact O-CA 3.07Å; F627-G629 VanDerWaalsContact CE1-C 3.44Å |
| 630 | Y | 91.8 | Very high | 89.4 | Confident | 64 Ų | 64 | 28.9 Ų | 28.9 | 25% | 0.251 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.8 | -178.8 | -58.2 | -99.6 | 0 | 0 | 0 | 110.6 | I429 Y430 Y431 M463 K464 W542 | I429-Y630 HydrophobicContact CG2-CD1 3.83Å; Y430-Y630 WeakPolarHBondContact O-CA 3.14Å; Y431-Y630 AromaticContact CD2-CD1 3.9Å; Y431-Y630 HydrophobicContact CD2-CD1 3.9Å; Y431-Y630 HydrophobicContact CD2-CD2 4.07Å; Y431-Y630 AromaticContact CD2-CE1 3.6Å; Y431-Y630 HydrophobicContact CD2-CE1 3.6Å; Y431-Y630 AromaticContact CD2-CE2 3.74Å; Y431-Y630 HydrophobicContact CD2-CE2 3.74Å; Y431-Y630 HydrophobicContact CD2-CG 4.14Å; Y431-Y630 AromaticContact CD2-CZ 3.49Å; Y431-Y630 VanDerWaalsContact CD2-CZ 3.49Å; Y431-Y630 HydrophobicContact CE2-CE2 4.03Å; Y431-Y630 HydrophobicContact CG-CD1 4.37Å; Y431-Y630 HydrophobicContact CG-CE1 4.01Å; M463-Y630 WeakPolarHBondContact CA-O 2.96Å; K464-Y630 HydrophobicContact CB-CD2 4.43Å; K464-Y630 HydrophobicContact CD-CD2 4.37Å; K464-Y630 HydrophobicContact CG-CD2 4.35Å; K464-Y630 PolarHBondContact N-O 3.44Å; K464-Y630 PolarHBondContact O-N 2.9Å; W542-Y630 VanDerWaalsContact CH2-CB 3.42Å; W542-Y630 HydrophobicContact CZ2-CG 4.24Å |
| 631 | L | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139 | 171 | -62.5 | 175.3 | 0 | 0 | 0 | 109.8 | L391 Y430 F432 F461 W462 M463 I481 V612 F627 | L391-L631 HydrophobicContact CD2-CB 4.5Å; Y430-L631 PolarHBondContact N-O 2.99Å; Y430-L631 PolarHBondContact O-N 2Å; F432-L631 HydrophobicContact CD2-CD1 4.15Å; F432-L631 HydrophobicContact CD2-CG 4.28Å; F432-L631 HydrophobicContact CE2-CB 4.03Å; F432-L631 HydrophobicContact CE2-CD1 3.69Å; F432-L631 HydrophobicContact CE2-CG 4.05Å; F432-L631 HydrophobicContact CZ-CD1 4.12Å; F461-L631 HydrophobicContact CD2-CD2 4.4Å; W462-L631 WeakPolarHBondContact O-CA 3.35Å; M463-L631 HydrophobicContact CB-CD2 4.02Å; M463-L631 HydrophobicContact CG-CD2 3.92Å; I481-L631 HydrophobicContact CG2-CD1 3.99Å; I481-L631 HydrophobicContact CG2-CD2 4.09Å; V612-L631 HydrophobicContact CG1-CD1 4.16Å; F627-L631 HydrophobicContact CD1-CD1 4.05Å; F627-L631 HydrophobicContact CD1-CG 4.06Å; F627-L631 HydrophobicContact CE1-CD1 4.12Å; F627-L631 HydrophobicContact CE1-CD2 3.87Å; F627-L631 HydrophobicContact CE1-CG 3.61Å; F627-L631 HydrophobicContact CZ-CD2 4.02Å; F627-L631 HydrophobicContact CZ-CG 4.28Å |
| 632 | A | 89.2 | Confident | 89.7 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L367 L372 I429 W462 W542 L634 | L367-A632 HydrophobicContact CB-CB 4.26Å; L367-A632 HydrophobicContact CD1-CB 4.38Å; L372-A632 HydrophobicContact CD1-CB 4.46Å; I429-A632 HydrophobicContact CG1-CB 4.25Å; W462-A632 HydrophobicContact CB-CB 4.13Å; W462-A632 WeakPolarHBondContact CB-O 3.08Å; W462-A632 PolarHBondContact N-O 3.4Å; W462-A632 PolarHBondContact O-N 3.23Å; W542-A632 HydrophobicContact CH2-CB 4.1Å; W542-A632 HydrophobicContact CZ3-CB 4.21Å; A632-L634 VanDerWaalsContact C-N 3.28Å; A632-L634 PolarHBondContact O-N 3.23Å |
| 633 | G | 87.7 | Confident | 89.6 | Confident | 7 Ų | 7 | 21.4 Ų | 21.4 | 7% | 0.072 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.2 | 26.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | T635 | G633-T635 PolarHBondContact O-N 2.87Å; G633-T635 VanDerWaalsContact O-N 3.11Å |
| 634 | L | 92.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 106.8 | 176.8 | 178 | 67 | 0 | 0 | 0 | 111 | L390 L391 I459 N460 F461 V612 A632 | L390-L634 HydrophobicContact CB-CD2 3.83Å; L390-L634 HydrophobicContact CB-CG 3.85Å; L390-L634 HydrophobicContact CD1-CD1 4.28Å; L390-L634 HydrophobicContact CD1-CD2 4.17Å; L390-L634 HydrophobicContact CD1-CG 3.95Å; L390-L634 HydrophobicContact CG-CG 4.18Å; L390-L634 PolarHBondContact N-O 3.07Å; L391-L634 HydrophobicContact CD1-CB 3.86Å; L391-L634 HydrophobicContact CG-CB 3.93Å; I459-L634 HydrophobicContact CG2-CD1 3.89Å; N460-L634 CarbonylContact O-C 3.56Å; N460-L634 WeakPolarHBondContact O-CA 3.45Å; F461-L634 HydrophobicContact CB-CB 4.02Å; F461-L634 HydrophobicContact CB-CD1 3.62Å; F461-L634 HydrophobicContact CB-CG 4.41Å; F461-L634 HydrophobicContact CD1-CD1 3.97Å; F461-L634 HydrophobicContact CG-CD1 4.01Å; V612-L634 HydrophobicContact CB-CD2 4.37Å; V612-L634 HydrophobicContact CG1-CD2 3.61Å; V612-L634 HydrophobicContact CG2-CD2 3.77Å; A632-L634 VanDerWaalsContact C-N 3.28Å; A632-L634 PolarHBondContact O-N 3.23Å |
| 635 | T | 89.2 | Confident | 88.8 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.1 | -175.2 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | I387 I388 I459 N460 G633 | I387-T635 HydrophobicContact CG2-CG2 4.22Å; I388-T635 CarbonylContact O-C 3.49Å; I388-T635 VanDerWaalsContact O-CA 3.31Å; I388-T635 WeakPolarHBondContact O-CA 3.15Å; I459-T635 CarbonylContact C-O 3.57Å; I459-T635 VanDerWaalsContact CA-O 3.25Å; I459-T635 WeakPolarHBondContact CA-O 3.19Å; N460-T635 PolarHBondContact N-O 2.85Å; N460-T635 PolarHBondContact O-N 2.79Å; G633-T635 PolarHBondContact O-N 2.87Å; G633-T635 VanDerWaalsContact O-N 3.11Å |
| 636 | Y | 89.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134.1 | 178 | 166.2 | -93.7 | 0 | 0 | 0 | 110.5 | I387 I388 L449 F452 F457 T458 I459 N638 | I387-Y636 CarbonylContact C-O 3.6Å; I388-Y636 HydrophobicContact CD1-CD1 3.99Å; I388-Y636 HydrophobicContact CD1-CE1 4.34Å; I388-Y636 HydrophobicContact CG1-CD1 4.31Å; I388-Y636 PolarHBondContact N-O 3.1Å; I388-Y636 PolarHBondContact O-N 3.09Å; L449-Y636 HydrophobicContact CD1-CD1 4.43Å; L449-Y636 HydrophobicContact CD1-CE1 3.93Å; L449-Y636 HydrophobicContact CD2-CD1 3.82Å; L449-Y636 HydrophobicContact CD2-CD2 4.37Å; L449-Y636 HydrophobicContact CD2-CE1 3.24Å; L449-Y636 HydrophobicContact CD2-CE2 3.86Å; L449-Y636 HydrophobicContact CD2-CG 4.35Å; L449-Y636 HydrophobicContact CG-CE1 4Å; F452-Y636 HydrophobicContact CD1-CD2 4.46Å; F452-Y636 AromaticContact CD1-CE2 3.84Å; F452-Y636 HydrophobicContact CD1-CE2 3.84Å; F452-Y636 AromaticContact CE1-CD2 3.95Å; F452-Y636 HydrophobicContact CE1-CD2 3.95Å; F452-Y636 AromaticContact CE1-CE2 3.69Å; F452-Y636 HydrophobicContact CE1-CE2 3.69Å; F457-Y636 HydrophobicContact CB-CD2 4.11Å; F457-Y636 HydrophobicContact CB-CE2 3.39Å; F457-Y636 HydrophobicContact CD1-CE2 4.13Å; F457-Y636 HydrophobicContact CD2-CD2 4.45Å; F457-Y636 HydrophobicContact CD2-CE2 4.16Å; F457-Y636 HydrophobicContact CG-CD2 4.36Å; F457-Y636 AromaticContact CG-CE2 3.66Å; F457-Y636 HydrophobicContact CG-CE2 3.66Å; T458-Y636 CarbonylContact O-C 3.54Å; T458-Y636 WeakPolarHBondContact O-CA 3.41Å; I459-Y636 HydrophobicContact CD1-CD2 4.43Å; I459-Y636 HydrophobicContact CG1-CD2 3.86Å; Y636-N638 HydrophobicContact CE1-CB 3.66Å |
| 637 | T | 87.7 | Confident | 88.3 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128 | 172.5 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | K386 I387 F457 T458 Y640 Q642 | K386-T637 WeakPolarHBondContact O-CA 3.26Å; I387-T637 HydrophobicContact CG1-CG2 4.02Å; F457-T637 VanDerWaalsContact CA-O 3.3Å; F457-T637 WeakPolarHBondContact CA-O 3.18Å; F457-T637 WeakPolarHBondContact CB-O 3.44Å; T458-T637 WeakPolarHBondContact CA-OG1 3.5Å; T458-T637 WeakPolarHBondContact CB-OG1 3.48Å; T458-T637 PolarHBondContact N-OG1 3.07Å; T458-T637 PolarHBondContact O-N 2.86Å; T458-T637 PolarHBondContact O-OG1 3.31Å; T637-Y640 PolarHBondContact OG1-O 2.79Å; T637-Q642 HydrophobicContact CG2-CG 4.47Å |
| 638 | N | 83.2 | Confident | 87.8 | Confident | 31 Ų | 31 | 29.9 Ų | 29.9 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -92.9 | 122.4 | 176.3 | -172.7 | -57.3 | 0 | 0 | 0 | 111.4 | K386 Q455 Y636 Y640 | K386-N638 HydrophobicContact CB-CB 4.35Å; K386-N638 WeakPolarHBondContact CB-O 3.49Å; K386-N638 HydrophobicContact CD-CB 4.33Å; K386-N638 WeakPolarHBondContact CD-O 3.28Å; K386-N638 PolarHBondContact O-N 2.82Å; K386-N638 VanDerWaalsContact O-N 3.12Å; Q455-N638 PolarHBondContact OE1-ND2 3.43Å; Q455-N638 PolarHBondContact OE1-OD1 3.22Å; Y636-N638 HydrophobicContact CE1-CB 3.66Å; N638-Y640 VanDerWaalsContact C-N 3.29Å; N638-Y640 PolarHBondContact O-N 2.81Å |
| 639 | G | 83.9 | Confident | 87.4 | Confident | 37 Ų | 37 | 29.5 Ų | 29.5 | 38% | 0.381 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 72.5 | 20.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L456 | L456-G639 CarbonylContact O-C 3.52Å; L456-G639 WeakPolarHBondContact O-CA 3.37Å; L456-G639 PolarHBondContact O-N 3.01Å |
| 640 | Y | 85.1 | Confident | 86.9 | Confident | 66 Ų | 66 | 30.2 Ų | 30.2 | 26% | 0.259 | 16% | 0.163 | S | C | . | . | trans | -147.7 | 132.5 | -175.7 | 177.8 | -109.7 | 0 | 0 | 0 | 110.5 | Q384 L456 F457 T458 T637 N638 Q642 E646 | Q384-Y640 PolarHBondContact NE2-OH 2.89Å; L456-Y640 PolarHBondContact O-N 2.97Å; F457-Y640 CarbonylContact C-O 3.53Å; F457-Y640 WeakPolarHBondContact CA-O 3.47Å; T458-Y640 PolarHBondContact N-O 2.78Å; T637-Y640 PolarHBondContact OG1-O 2.79Å; N638-Y640 VanDerWaalsContact C-N 3.29Å; N638-Y640 PolarHBondContact O-N 2.81Å; Y640-Q642 HydrophobicContact CD1-CG 4.13Å; Y640-Q642 HydrophobicContact CE1-CB 4.3Å; Y640-Q642 HydrophobicContact CE1-CG 3.63Å; Y640-E646 VanDerWaalsContact OH-CD 3.22Å; Y640-E646 PolarHBondContact OH-OE1 3.22Å; Y640-E646 PolarHBondContact OH-OE2 2.76Å | ||
| 641 | I | 88.3 | Confident | 86.5 | Confident | 33 Ų | 33 | 27.9 Ų | 27.9 | 17% | 0.169 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -102.2 | 126.7 | 169.2 | -65.5 | 171.3 | 0 | 0 | 0 | 107.5 | L456 T458 T548 Y549 R550 | L456-I641 HydrophobicContact CB-CG1 4.18Å; L456-I641 HydrophobicContact CD2-CD1 3.49Å; L456-I641 VanDerWaalsContact CD2-CD1 3.49Å; L456-I641 HydrophobicContact CD2-CG1 4.05Å; T458-I641 WeakPolarHBondContact OG1-CA 3.03Å; T548-I641 HydrophobicContact CG2-CG2 3.94Å; Y549-I641 WeakPolarHBondContact O-CD1 3.26Å; R550-I641 HydrophobicContact CB-CD1 3.94Å |
| 642 | Q | 88.7 | Confident | 85.6 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 141.7 | 172.5 | -70.9 | 171.7 | -80.4 | 0 | 0 | 111.2 | T458 N460 T637 Y640 E646 I647 | T458-Q642 HydrophobicContact CG2-CB 4.28Å; T458-Q642 HydrophobicContact CG2-CG 4.4Å; T458-Q642 PolarHBondContact OG1-N 2.87Å; N460-Q642 PolarHBondContact ND2-OE1 3.42Å; T637-Q642 HydrophobicContact CG2-CG 4.47Å; Y640-Q642 HydrophobicContact CD1-CG 4.13Å; Y640-Q642 HydrophobicContact CE1-CB 4.3Å; Y640-Q642 HydrophobicContact CE1-CG 3.63Å; Q642-E646 VanDerWaalsContact CA-OE2 3.27Å; Q642-E646 WeakPolarHBondContact CA-OE2 3.4Å; Q642-E646 HydrophobicContact CB-CB 4.25Å; Q642-I647 HydrophobicContact CB-CD1 4.34Å; Q642-I647 HydrophobicContact CB-CG1 3.95Å |
| 643 | S | 87.2 | Confident | 84.9 | Confident | 41 Ų | 41 | 29.1 Ų | 29.1 | 29% | 0.287 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -69.4 | 159.1 | 176.3 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | E645 E646 I647 | S643-E645 WeakPolarHBondContact CB-OE2 3.4Å; S643-E645 PolarHBondContact O-N 2.85Å; S643-E646 PolarHBondContact N-OE2 3.24Å; S643-E646 PolarHBondContact O-N 2.52Å; S643-E646 VanDerWaalsContact O-N 3.09Å; S643-E646 WeakPolarHBondContact OG-CB 3.18Å; S643-E646 VanDerWaalsContact OG-CD 3.29Å; S643-E646 WeakPolarHBondContact OG-CG 3.44Å; S643-E646 PolarHBondContact OG-N 3.46Å; S643-E646 PolarHBondContact OG-OE2 2.86Å; S643-E646 VanDerWaalsContact OG-OE2 3.07Å; S643-I647 WeakPolarHBondContact O-CG1 3.3Å; S643-I647 PolarHBondContact O-N 2.79Å |
| 644 | D | 84.6 | Confident | 84.1 | Confident | 88 Ų | 88 | 29.6 Ų | 29.6 | 47% | 0.471 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -55.1 | -38.9 | 174.3 | -66.7 | -11.7 | 0 | 0 | 0 | 111.1 | Y576 L648 | Y576-D644 VanDerWaalsContact CE1-OD1 3.3Å; Y576-D644 WeakPolarHBondContact CE1-OD1 3.41Å; Y576-D644 VanDerWaalsContact CZ-OD1 3.24Å; Y576-D644 PolarHBondContact OH-OD1 2.75Å; D644-L648 WeakPolarHBondContact O-CB 3.23Å; D644-L648 PolarHBondContact O-N 2.8Å |
| 645 | E | 80.9 | Confident | 83.3 | Confident | 142 Ų | 142 | 29.6 Ų | 29.6 | 66% | 0.664 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -67.3 | -39.9 | 177.2 | -62.6 | 82.3 | -176.2 | 0 | 0 | 112.7 | S643 C649 | S643-E645 WeakPolarHBondContact CB-OE2 3.4Å; S643-E645 PolarHBondContact O-N 2.85Å; E645-C649 WeakPolarHBondContact O-CB 3.04Å; E645-C649 PolarHBondContact O-N 2.64Å |
| 646 | E | 86 | Confident | 82.8 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.9 | -45.2 | 176.2 | -76.8 | 167.5 | 152.9 | 0 | 0 | 111.2 | Q384 Y640 Q642 S643 C649 L650 | Q384-E646 PolarHBondContact NE2-OE1 2.9Å; Q384-E646 PolarHBondContact OE1-OE1 3.08Å; Y640-E646 VanDerWaalsContact OH-CD 3.22Å; Y640-E646 PolarHBondContact OH-OE1 3.22Å; Y640-E646 PolarHBondContact OH-OE2 2.76Å; Q642-E646 VanDerWaalsContact CA-OE2 3.27Å; Q642-E646 WeakPolarHBondContact CA-OE2 3.4Å; Q642-E646 HydrophobicContact CB-CB 4.25Å; S643-E646 PolarHBondContact N-OE2 3.24Å; S643-E646 PolarHBondContact O-N 2.52Å; S643-E646 VanDerWaalsContact O-N 3.09Å; S643-E646 WeakPolarHBondContact OG-CB 3.18Å; S643-E646 VanDerWaalsContact OG-CD 3.29Å; S643-E646 WeakPolarHBondContact OG-CG 3.44Å; S643-E646 PolarHBondContact OG-N 3.46Å; S643-E646 PolarHBondContact OG-OE2 2.86Å; S643-E646 VanDerWaalsContact OG-OE2 3.07Å; E646-C649 WeakPolarHBondContact O-CB 3.27Å; E646-C649 PolarHBondContact O-N 2.91Å; E646-L650 WeakPolarHBondContact O-CG 3.31Å; E646-L650 PolarHBondContact O-N 3.02Å |
| 647 | I | 88.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -48.8 | 178.8 | -68.2 | 171.7 | 0 | 0 | 0 | 110.3 | T548 Y576 Q642 S643 C649 L650 T651 | T548-I647 HydrophobicContact CG2-CD1 3.73Å; Y576-I647 HydrophobicContact CD1-CD1 4.4Å; Y576-I647 HydrophobicContact CD1-CG2 4.05Å; Y576-I647 HydrophobicContact CD2-CD1 3.94Å; Y576-I647 HydrophobicContact CE1-CD1 4.4Å; Y576-I647 HydrophobicContact CE2-CD1 4Å; Y576-I647 HydrophobicContact CG-CD1 4.18Å; Y576-I647 HydrophobicContact CG-CG2 3.99Å; Q642-I647 HydrophobicContact CB-CD1 4.34Å; Q642-I647 HydrophobicContact CB-CG1 3.95Å; S643-I647 WeakPolarHBondContact O-CG1 3.3Å; S643-I647 PolarHBondContact O-N 2.79Å; I647-C649 VanDerWaalsContact C-N 3.27Å; I647-C649 PolarHBondContact O-N 2.78Å; I647-L650 PolarHBondContact O-N 3.42Å; I647-T651 PolarHBondContact O-N 3.46Å |
| 648 | L | 83.7 | Confident | 81.9 | Confident | 58 Ų | 58 | 31.6 Ų | 31.6 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.4 | -35.1 | 176.2 | -177.2 | 64.1 | 0 | 0 | 0 | 111.9 | D644 T651 N652 | D644-L648 WeakPolarHBondContact O-CB 3.23Å; D644-L648 PolarHBondContact O-N 2.8Å; L648-T651 PolarHBondContact O-OG1 2.99Å; L648-N652 PolarHBondContact O-N 3.35Å; L648-N652 PolarHBondContact O-ND2 3.34Å |
| 649 | C | 82 | Confident | 81.4 | Confident | 27 Ų | 27 | 30.7 Ų | 30.7 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 175.3 | -178 | 0 | 0 | 0 | 0 | 112 | C379 E645 E646 I647 T651 N652 | C379-C649 WeakPolarHBondContact CA-SG 3.19Å; C379-C649 HydrophobicContact CB-CB 3.61Å; C379-C649 WeakPolarHBondContact CB-SG 3.49Å; C379-C649 WeakPolarHBondContact SG-CB 3.49Å; C379-C649 PolarHBondContact SG-O 3.41Å; C379-C649 CovalentContact SG-SG 2.04Å; C379-C649 PolarHBondContact SG-SG 2.82Å; E645-C649 WeakPolarHBondContact O-CB 3.04Å; E645-C649 PolarHBondContact O-N 2.64Å; E646-C649 WeakPolarHBondContact O-CB 3.27Å; E646-C649 PolarHBondContact O-N 2.91Å; I647-C649 VanDerWaalsContact C-N 3.27Å; I647-C649 PolarHBondContact O-N 2.78Å; C649-T651 VanDerWaalsContact C-N 3.3Å; C649-T651 PolarHBondContact O-N 3.45Å; C649-N652 PolarHBondContact O-N 2.76Å |
| 650 | L | 83 | Confident | 80.7 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 8% | 0.079 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -32 | -179.5 | -73.4 | 171.7 | 0 | 0 | 0 | 113 | R376 C379 I380 E646 I647 | R376-L650 HydrophobicContact CB-CD2 4.49Å; R376-L650 HydrophobicContact CG-CD2 4.01Å; C379-L650 HydrophobicContact CB-CD2 3.99Å; C379-L650 HydrophobicContact CB-CG 4.17Å; I380-L650 HydrophobicContact CD1-CD1 4.45Å; I380-L650 HydrophobicContact CD1-CD2 4.33Å; I380-L650 HydrophobicContact CG1-CD2 4.49Å; E646-L650 WeakPolarHBondContact O-CG 3.31Å; E646-L650 PolarHBondContact O-N 3.02Å; I647-L650 PolarHBondContact O-N 3.42Å |
| 651 | T | 82.2 | Confident | 79.7 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 9% | 0.092 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -81.5 | -24.8 | 177.2 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | H544 D578 G579 I647 L648 C649 C653 | H544-T651 HydrophobicContact CB-CG2 3.81Å; H544-T651 WeakPolarHBondContact ND1-CG2 3.29Å; D578-T651 VanDerWaalsContact C-CG2 3.48Å; D578-T651 PolarHBondContact O-OG1 2.96Å; G579-T651 VanDerWaalsContact N-CG2 3.33Å; I647-T651 PolarHBondContact O-N 3.46Å; L648-T651 PolarHBondContact O-OG1 2.99Å; C649-T651 VanDerWaalsContact C-N 3.3Å; C649-T651 PolarHBondContact O-N 3.45Å; T651-C653 VanDerWaalsContact C-N 3.35Å; T651-C653 PolarHBondContact O-N 2.89Å |
| 652 | N | 75.8 | Confident | 78.3 | Confident | 20 Ų | 20 | 34.5 Ų | 34.5 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | trans | -71.7 | 86.5 | 172.3 | -72.5 | -35.3 | 0 | 0 | 0 | 111 | L648 C649 R656 S680 | L648-N652 PolarHBondContact O-N 3.35Å; L648-N652 PolarHBondContact O-ND2 3.34Å; C649-N652 PolarHBondContact O-N 2.76Å; N652-R656 VanDerWaalsContact O-CZ 3.22Å; N652-R656 PolarHBondContact O-NH1 2.88Å; N652-R656 PolarHBondContact O-NH2 2.89Å; N652-R656 VanDerWaalsContact O-NH2 3.1Å; N652-S680 WeakPolarHBondContact OD1-CA 3.33Å; N652-S680 VanDerWaalsContact OD1-CB 3.25Å; N652-S680 WeakPolarHBondContact OD1-CB 3.28Å | ||
| 653 | C | 72.8 | Confident | 76.8 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | trans | -104.7 | -5.9 | 178.7 | 69.8 | 0 | 0 | 0 | 0 | 113.9 | C365 T651 P707 R716 | C365-C653 WeakPolarHBondContact CA-SG 3.26Å; C365-C653 HydrophobicContact CB-CB 3.63Å; C365-C653 WeakPolarHBondContact CB-SG 3.37Å; C365-C653 WeakPolarHBondContact SG-CB 3.4Å; C365-C653 CovalentContact SG-SG 2Å; C365-C653 PolarHBondContact SG-SG 2.81Å; T651-C653 VanDerWaalsContact C-N 3.35Å; T651-C653 PolarHBondContact O-N 2.89Å; C653-P707 WeakPolarHBondContact O-CG 3.49Å; C653-R716 PolarHBondContact O-NH2 2.85Å; C653-R716 VanDerWaalsContact O-NH2 3.16Å | ||
| 654 | E | 72.2 | Confident | 75.3 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -76.4 | 148.8 | -179.5 | -66.4 | 177.9 | -171.6 | 0 | 0 | 111.5 | R656 H681 | E654-R656 PolarHBondContact O-N 3.28Å; E654-R656 PolarHBondContact O-NH1 2.83Å; E654-R656 VanDerWaalsContact O-NH1 3.14Å; E654-H681 IonicContact OE1-CE1 2.77Å; E654-H681 IonicContact OE1-ND1 3.66Å; E654-H681 IonicContact OE2-ND1 3.17Å; E654-H681 PolarHBondContact OE2-ND1 2.94Å; E654-H681 VanDerWaalsContact OE2-ND1 3.12Å |
| 655 | P | 76.2 | Confident | 73.9 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | trans | -58.3 | 127 | 166.4 | -17.2 | 27 | 0 | 0 | 0 | 109.3 | I333 W335 N683 F704 Y705 N706 R716 P719 | I333-P655 WeakPolarHBondContact CD1-O 3.44Å; W335-P655 HydrophobicContact CH2-CB 3.86Å; W335-P655 HydrophobicContact CH2-CG 3.7Å; W335-P655 HydrophobicContact CZ3-CB 4.31Å; W335-P655 HydrophobicContact CZ3-CG 3.82Å; P655-N683 PolarHBondContact O-OD1 3.23Å; P655-F704 HydrophobicContact CB-CE2 4.34Å; P655-F704 HydrophobicContact CB-CZ 4.42Å; P655-Y705 WeakPolarHBondContact CA-O 3.5Å; P655-N706 HydrophobicContact CB-CB 4.22Å; P655-R716 VanDerWaalsContact CD-NH2 3.3Å; P655-P719 HydrophobicContact CB-CB 4.36Å; P655-P719 HydrophobicContact CB-CG 3.96Å; P655-P719 HydrophobicContact CG-CG 4.09Å | ||
| 656 | R | 77.8 | Confident | 72.6 | Confident | 9 Ų | 9 | 35 Ų | 35 | 3% | 0.034 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 161.1 | -170 | 58.9 | 177.7 | 179.5 | -84.4 | 14.8 | 112.9 | N652 E654 I658 L682 Y705 | N652-R656 VanDerWaalsContact O-CZ 3.22Å; N652-R656 PolarHBondContact O-NH1 2.88Å; N652-R656 PolarHBondContact O-NH2 2.89Å; N652-R656 VanDerWaalsContact O-NH2 3.1Å; E654-R656 PolarHBondContact O-N 3.28Å; E654-R656 PolarHBondContact O-NH1 2.83Å; E654-R656 VanDerWaalsContact O-NH1 3.14Å; R656-I658 HydrophobicContact CG-CD1 4.32Å; R656-I658 HydrophobicContact CG-CG1 3.93Å; R656-L682 HydrophobicContact CB-CB 3.58Å; R656-Y705 HydrophobicContact CG-CD1 4.38Å; R656-Y705 PolarHBondContact N-O 3.32Å; R656-Y705 PolarHBondContact O-N 3.36Å |
| 657 | L | 81.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 120.6 | 167.9 | -61 | 166.4 | 0 | 0 | 0 | 108.1 | F277 M331 I333 L682 I685 V702 T703 F704 I722 | F277-L657 HydrophobicContact CE1-CD2 3.91Å; F277-L657 HydrophobicContact CZ-CD2 4.39Å; M331-L657 HydrophobicContact CB-CD1 3.96Å; M331-L657 HydrophobicContact CE-CD1 4.03Å; I333-L657 HydrophobicContact CD1-CG 4.18Å; I333-L657 HydrophobicContact CG1-CD1 4.11Å; I333-L657 HydrophobicContact CG1-CG 4.05Å; L657-L682 PolarHBondContact N-O 3.14Å; L657-I685 HydrophobicContact CB-CD1 3.42Å; L657-I685 VanDerWaalsContact CB-CD1 3.42Å; L657-I685 HydrophobicContact CB-CG1 4.06Å; L657-I685 HydrophobicContact CD1-CD1 4.49Å; L657-I685 HydrophobicContact CD1-CG1 4.48Å; L657-V702 HydrophobicContact CB-CG1 4.36Å; L657-V702 HydrophobicContact CD2-CG1 4.31Å; L657-T703 WeakPolarHBondContact CA-O 3.1Å; L657-F704 HydrophobicContact CD2-CB 4.47Å; L657-F704 HydrophobicContact CD2-CD2 4.24Å; L657-I722 HydrophobicContact CD1-CG2 4.41Å; L657-I722 HydrophobicContact CD2-CD1 3.91Å; L657-I722 HydrophobicContact CD2-CG1 4.48Å; L657-I722 HydrophobicContact CD2-CG2 4.35Å |
| 658 | I | 75.7 | Confident | 68.9 | Low | 40 Ų | 40 | 44.8 Ų | 44.8 | 21% | 0.205 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.9 | 179 | -55.1 | 177.1 | 0 | 0 | 0 | 108.2 | R656 V702 T703 Y705 | R656-I658 HydrophobicContact CG-CD1 4.32Å; R656-I658 HydrophobicContact CG-CG1 3.93Å; I658-V702 CarbonylContact O-C 3.51Å; I658-V702 WeakPolarHBondContact O-CA 3.28Å; I658-T703 PolarHBondContact N-O 3.18Å; I658-T703 PolarHBondContact O-N 2.82Å; I658-Y705 HydrophobicContact CD1-CD1 4.21Å; I658-Y705 HydrophobicContact CD1-CG 4.02Å |
| 659 | I | 74.3 | Confident | 67.2 | Low | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.1 | 166.1 | -54.4 | -177 | 0 | 0 | 0 | 107.4 | D661 F665 F672 I677 I685 V702 | I659-D661 PolarHBondContact O-N 3.15Å; I659-F665 HydrophobicContact CG2-CD2 4.37Å; I659-F665 HydrophobicContact CG2-CE2 4.08Å; I659-F672 HydrophobicContact CD1-CE1 4Å; I659-I677 HydrophobicContact CD1-CD1 4.01Å; I659-I685 HydrophobicContact CD1-CD1 4.28Å; I659-I685 HydrophobicContact CD1-CG2 4.03Å; I659-I685 HydrophobicContact CG1-CD1 3.94Å; I659-V702 HydrophobicContact CG1-CG2 4.42Å |
| 660 | N | 68.5 | Low | 65.6 | Low | 74 Ų | 74 | 47.5 Ų | 47.5 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -72.2 | 124 | 174.8 | -61.5 | -19.4 | 0 | 0 | 0 | 108.8 | N701 T703 | N660-N701 HydrophobicContact CB-CB 4.49Å; N660-N701 PolarHBondContact N-O 3.09Å; N660-T703 PolarHBondContact ND2-OG1 3.17Å |
| 661 | D | 64.7 | Low | 64.1 | Low | 89 Ų | 89 | 53.4 Ų | 53.4 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | trans | 56.8 | 69.9 | -177.8 | -167.9 | 0.7 | 0 | 0 | 0 | 114.5 | I659 T663 S664 F665 | I659-D661 PolarHBondContact O-N 3.15Å; D661-T663 PolarHBondContact O-N 3.02Å; D661-T663 PolarHBondContact OD1-N 2.97Å; D661-T663 PolarHBondContact OD1-OG1 3.5Å; D661-S664 PolarHBondContact O-N 3.25Å; D661-S664 PolarHBondContact O-OG 2.89Å; D661-S664 PolarHBondContact OD1-N 2.87Å; D661-S664 WeakPolarHBondContact OD2-CB 3.42Å; D661-F665 VanDerWaalsContact O-CD2 3.31Å; D661-F665 WeakPolarHBondContact O-CD2 3.22Å; D661-F665 WeakPolarHBondContact O-CE2 3.5Å | ||
| 662 | P | 57.5 | Low | 62.5 | Low | 52 Ų | 52 | 54 Ų | 54 | 34% | 0.338 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -63.3 | -26.4 | 177.5 | 26.9 | -33.4 | 0 | 0 | 0 | 112.3 | S664 F665 | P662-S664 VanDerWaalsContact C-N 3.34Å; P662-S664 PolarHBondContact O-N 3.16Å; P662-F665 PolarHBondContact O-N 2.84Å |
| 663 | T | 57.4 | Low | 61.3 | Low | 108 Ų | 108 | 55.9 Ų | 55.9 | 66% | 0.663 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -67.9 | -33.7 | -176.1 | 68 | 0 | 0 | 0 | 0 | 112.6 | D661 F665 S666 | D661-T663 PolarHBondContact O-N 3.02Å; D661-T663 PolarHBondContact OD1-N 2.97Å; D661-T663 PolarHBondContact OD1-OG1 3.5Å; T663-F665 PolarHBondContact O-N 3.36Å; T663-F665 VanDerWaalsContact O-N 3.12Å; T663-S666 PolarHBondContact O-N 2.77Å |
| 664 | S | 55.8 | Low | 60.1 | Low | 54 Ų | 54 | 58.8 Ų | 58.8 | 38% | 0.378 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -57.4 | -26.6 | 176.1 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | D661 P662 | D661-S664 PolarHBondContact O-N 3.25Å; D661-S664 PolarHBondContact O-OG 2.89Å; D661-S664 PolarHBondContact OD1-N 2.87Å; D661-S664 WeakPolarHBondContact OD2-CB 3.42Å; P662-S664 VanDerWaalsContact C-N 3.34Å; P662-S664 PolarHBondContact O-N 3.16Å |
| 665 | F | 55.4 | Low | 58.8 | Low | 34 Ų | 34 | 62.2 Ų | 62.2 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -95.4 | -16.3 | -176.1 | -57 | -71.7 | 0 | 0 | 0 | 114.5 | I659 D661 P662 T663 S667 F672 I698 N701 | I659-F665 HydrophobicContact CG2-CD2 4.37Å; I659-F665 HydrophobicContact CG2-CE2 4.08Å; D661-F665 VanDerWaalsContact O-CD2 3.31Å; D661-F665 WeakPolarHBondContact O-CD2 3.22Å; D661-F665 WeakPolarHBondContact O-CE2 3.5Å; P662-F665 PolarHBondContact O-N 2.84Å; T663-F665 PolarHBondContact O-N 3.36Å; T663-F665 VanDerWaalsContact O-N 3.12Å; F665-S667 VanDerWaalsContact C-N 3.28Å; F665-S667 PolarHBondContact O-N 3.33Å; F665-F672 HydrophobicContact CB-CD2 4.34Å; F665-F672 HydrophobicContact CB-CE2 3.68Å; F665-F672 HydrophobicContact CB-CZ 3.92Å; F665-F672 HydrophobicContact CG-CE2 4.43Å; F665-F672 HydrophobicContact CG-CZ 4.26Å; F665-I698 HydrophobicContact CD1-CD1 4.39Å; F665-I698 HydrophobicContact CD1-CG1 3.48Å; F665-I698 VanDerWaalsContact CD1-CG1 3.48Å; F665-I698 HydrophobicContact CE1-CB 4.32Å; F665-I698 HydrophobicContact CE1-CG1 3.57Å; F665-I698 HydrophobicContact CG-CG1 4.05Å; F665-I698 HydrophobicContact CZ-CG1 4.19Å; F665-N701 HydrophobicContact CE2-CB 4.34Å; F665-N701 HydrophobicContact CZ-CB 4.15Å; F665-N701 WeakPolarHBondContact CZ-ND2 3.39Å |
| 666 | S | 53.6 | Low | 57.3 | Low | 90 Ų | 90 | 64.9 Ų | 64.9 | 63% | 0.629 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.6 | -176.1 | 174 | 0 | 0 | 0 | 0 | 114 | T663 N668 | T663-S666 PolarHBondContact O-N 2.77Å; S666-N668 PolarHBondContact O-N 3.05Å |
| 667 | S | 49.3 | Very low | 55.7 | Low | 90 Ų | 90 | 66.6 Ų | 66.6 | 63% | 0.629 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -13.2 | -158.3 | 58.6 | 0 | 0 | 0 | 0 | 116.6 | F665 | F665-S667 VanDerWaalsContact C-N 3.28Å; F665-S667 PolarHBondContact O-N 3.33Å |
| 668 | N | 46.5 | Very low | 53.8 | Low | 127 Ų | 127 | 76.6 Ų | 76.6 | 68% | 0.679 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -157.5 | 120.4 | 173.7 | -83.8 | -44.7 | 0 | 0 | 0 | 112.2 | S666 N670 | S666-N668 PolarHBondContact O-N 3.05Å; N668-N670 PolarHBondContact O-N 2.92Å |
| 669 | T | 47.6 | Very low | 52.2 | Low | 111 Ų | 111 | 78.1 Ų | 78.1 | 68% | 0.681 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 68.8 | -0.6 | 161.9 | 57.3 | 0 | 0 | 0 | 0 | 121.8 | ||
| 670 | N | 50.1 | Low | 50.7 | Low | 31 Ų | 31 | 79.2 Ų | 79.2 | 17% | 0.166 | 44% | 0.438 | C | S | . | . | trans | -103.2 | 128.4 | 178.8 | -70.2 | -34.2 | 0 | 0 | 0 | 112.3 | N668 F672 E694 | N668-N670 PolarHBondContact O-N 2.92Å; N670-F672 VanDerWaalsContact C-N 3.35Å; N670-F672 HydrophobicContact CB-CD2 4.13Å; N670-F672 HydrophobicContact CB-CE2 4.46Å; N670-F672 PolarHBondContact O-N 2.03Å; N670-F672 VanDerWaalsContact O-N 3.11Å; N670-E694 PolarHBondContact ND2-OE2 2.88Å | ||
| 671 | H | 50.4 | Low | 50.1 | Low | 140 Ų | 140 | 80.1 Ų | 80.1 | 65% | 0.648 | 44% | 0.44 | S | S | * | . | trans | -81.4 | 86.2 | 170.3 | -160.3 | 63.4 | 0 | 0 | 0 | 108.4 | D673 | H671-D673 PolarHBondContact O-N 3.35Š| ||
| 672 | F | 50 | Low | 49.9 | Very low | 28 Ų | 28 | 76.6 Ų | 76.6 | 12% | 0.123 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 111.7 | 165.2 | -98.4 | -94.6 | 0 | 0 | 0 | 108.1 | I659 F665 N670 T674 I687 I698 | I659-F672 HydrophobicContact CD1-CE1 4Å; F665-F672 HydrophobicContact CB-CD2 4.34Å; F665-F672 HydrophobicContact CB-CE2 3.68Å; F665-F672 HydrophobicContact CB-CZ 3.92Å; F665-F672 HydrophobicContact CG-CE2 4.43Å; F665-F672 HydrophobicContact CG-CZ 4.26Å; N670-F672 VanDerWaalsContact C-N 3.35Å; N670-F672 HydrophobicContact CB-CD2 4.13Å; N670-F672 HydrophobicContact CB-CE2 4.46Å; N670-F672 PolarHBondContact O-N 2.03Å; N670-F672 VanDerWaalsContact O-N 3.11Å; F672-T674 HydrophobicContact CB-CG2 3.94Å; F672-T674 PolarHBondContact O-N 3.41Å; F672-I687 HydrophobicContact CE1-CG1 4.01Å; F672-I687 HydrophobicContact CE1-CG2 4.37Å; F672-I687 HydrophobicContact CZ-CG1 4.46Å; F672-I687 HydrophobicContact CZ-CG2 4.09Å; F672-I698 HydrophobicContact CE1-CG2 4.05Å; F672-I698 HydrophobicContact CE2-CD1 3.54Å; F672-I698 HydrophobicContact CE2-CG1 4.2Å; F672-I698 HydrophobicContact CZ-CB 4.3Å; F672-I698 HydrophobicContact CZ-CD1 3.43Å; F672-I698 VanDerWaalsContact CZ-CD1 3.43Å; F672-I698 HydrophobicContact CZ-CG1 3.73Å; F672-I698 HydrophobicContact CZ-CG2 3.59Å |
| 673 | D | 48.7 | Very low | 50.6 | Low | 59 Ų | 59 | 75.5 Ų | 75.5 | 32% | 0.316 | 41% | 0.412 | S | S | . | . | trans | -72.6 | 87.2 | 164.7 | -176.5 | 10.1 | 0 | 0 | 0 | 108.8 | H671 T675 | H671-D673 PolarHBondContact O-N 3.35Å; D673-T675 VanDerWaalsContact CG-OG1 3.29Å; D673-T675 PolarHBondContact O-N 3.32Å; D673-T675 WeakPolarHBondContact OD1-CB 3.5Å; D673-T675 WeakPolarHBondContact OD1-CG2 3.32Å; D673-T675 PolarHBondContact OD1-N 2.74Å; D673-T675 PolarHBondContact OD1-OG1 3.25Å; D673-T675 PolarHBondContact OD2-OG1 2.79Å | ||
| 674 | T | 48.1 | Very low | 51.4 | Low | 68 Ų | 68 | 72.6 Ų | 72.6 | 42% | 0.417 | 40% | 0.396 | S | S | . | . | trans | -80.8 | 0.3 | 174.4 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | F672 N676 I677 | F672-T674 HydrophobicContact CB-CG2 3.94Å; F672-T674 PolarHBondContact O-N 3.41Å; T674-N676 PolarHBondContact O-N 3.21Å; T674-I677 HydrophobicContact CG2-CD1 3.96Å; T674-I677 PolarHBondContact O-N 3.46Å | ||
| 675 | T | 45.4 | Very low | 52.6 | Low | 89 Ų | 89 | 70.4 Ų | 70.4 | 55% | 0.546 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.4 | -33.3 | -178.8 | 65.8 | 0 | 0 | 0 | 0 | 111 | D673 N679 | D673-T675 VanDerWaalsContact CG-OG1 3.29Å; D673-T675 PolarHBondContact O-N 3.32Å; D673-T675 WeakPolarHBondContact OD1-CB 3.5Å; D673-T675 WeakPolarHBondContact OD1-CG2 3.32Å; D673-T675 PolarHBondContact OD1-N 2.74Å; D673-T675 PolarHBondContact OD1-OG1 3.25Å; D673-T675 PolarHBondContact OD2-OG1 2.79Å; T675-N679 PolarHBondContact O-ND2 3.21Å |
| 676 | N | 43.7 | Very low | 53.8 | Low | 57 Ų | 57 | 71 Ų | 71 | 31% | 0.305 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -82.3 | -12.4 | 174.9 | -66.9 | -41.9 | 0 | 0 | 0 | 114.6 | T674 | T674-N676 PolarHBondContact O-N 3.21Å |
| 677 | I | 46 | Very low | 55 | Low | 45 Ų | 45 | 66.8 Ų | 66.8 | 23% | 0.231 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -76.3 | -28.8 | 176.1 | -60.7 | 177.3 | 0 | 0 | 0 | 111.4 | I659 T674 L682 | I659-I677 HydrophobicContact CD1-CD1 4.01Å; T674-I677 HydrophobicContact CG2-CD1 3.96Å; T674-I677 PolarHBondContact O-N 3.46Å; I677-L682 HydrophobicContact CB-CD2 4.37Å; I677-L682 HydrophobicContact CG1-CD2 4.33Å; I677-L682 HydrophobicContact CG2-CD2 4.5Å |
| 678 | R | 41.1 | Very low | 56.5 | Low | 210 Ų | 210 | 65.2 Ų | 65.2 | 79% | 0.792 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -85.2 | -20.4 | 177.2 | -73.9 | -174.5 | 176.5 | 176.9 | -1.9 | 113.8 | ||
| 679 | N | 41.5 | Very low | 58.1 | Low | 71 Ų | 71 | 59.3 Ų | 59.3 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -80.9 | 125.8 | 172.9 | -68.4 | -28.3 | 0 | 0 | 0 | 108.2 | T675 H681 | T675-N679 PolarHBondContact O-ND2 3.21Å; N679-H681 PolarHBondContact O-N 2.8Å |
| 680 | S | 44.6 | Very low | 59.6 | Low | 37 Ų | 37 | 60.7 Ų | 60.7 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -49.1 | -21.3 | -178.7 | 46.7 | 0 | 0 | 0 | 0 | 114.5 | N652 L682 | N652-S680 WeakPolarHBondContact OD1-CA 3.33Å; N652-S680 VanDerWaalsContact OD1-CB 3.25Å; N652-S680 WeakPolarHBondContact OD1-CB 3.28Å; S680-L682 VanDerWaalsContact C-N 3.27Å; S680-L682 PolarHBondContact O-N 2.93Å |
| 681 | H | 54.9 | Low | 60.8 | Low | 93 Ų | 93 | 61.4 Ų | 61.4 | 43% | 0.431 | 31% | 0.31 | S | S | . | . | trans | -83.8 | 50.3 | -179.7 | -48.7 | -54.4 | 0 | 0 | 0 | 113.7 | E654 N679 N683 | E654-H681 IonicContact OE1-CE1 2.77Å; E654-H681 IonicContact OE1-ND1 3.66Å; E654-H681 IonicContact OE2-ND1 3.17Å; E654-H681 PolarHBondContact OE2-ND1 2.94Å; E654-H681 VanDerWaalsContact OE2-ND1 3.12Å; N679-H681 PolarHBondContact O-N 2.8Å; H681-N683 PolarHBondContact O-N 3.39Å | ||
| 682 | L | 61.1 | Low | 62.2 | Low | 14 Ų | 14 | 56.2 Ų | 56.2 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 36.1 | 176.5 | -86.8 | 170.8 | 0 | 0 | 0 | 114.5 | R656 L657 I677 S680 S684 | R656-L682 HydrophobicContact CB-CB 3.58Å; L657-L682 PolarHBondContact N-O 3.14Å; I677-L682 HydrophobicContact CB-CD2 4.37Å; I677-L682 HydrophobicContact CG1-CD2 4.33Å; I677-L682 HydrophobicContact CG2-CD2 4.5Å; S680-L682 VanDerWaalsContact C-N 3.27Å; S680-L682 PolarHBondContact O-N 2.93Å; L682-S684 VanDerWaalsContact C-N 3.29Å |
| 683 | N | 71.2 | Confident | 63.7 | Low | 29 Ų | 29 | 59.2 Ų | 59.2 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -16.7 | 178.5 | -59.2 | -8.9 | 0 | 0 | 0 | 111.5 | K332 I333 W335 P655 H681 | K332-N683 CarbonylContact C-O 3.52Å; K332-N683 WeakPolarHBondContact CA-O 3.31Å; I333-N683 PolarHBondContact N-O 2.96Å; W335-N683 HydrophobicContact CZ2-CB 4.37Å; P655-N683 PolarHBondContact O-OD1 3.23Å; H681-N683 PolarHBondContact O-N 3.39Å |
| 684 | S | 74.2 | Confident | 65.2 | Low | 48 Ų | 48 | 59.6 Ų | 59.6 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 140.1 | 174.8 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | M331 L682 | M331-S684 CarbonylContact O-C 3.37Å; M331-S684 WeakPolarHBondContact O-CA 3.47Å; M331-S684 WeakPolarHBondContact O-CB 3.27Å; L682-S684 VanDerWaalsContact C-N 3.29Å |
| 685 | I | 80.4 | Confident | 66.9 | Low | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135.8 | 178 | -60.6 | -179.1 | 0 | 0 | 0 | 108.3 | R330 M331 L657 I659 I687 | R330-I685 WeakPolarHBondContact CA-O 3.04Å; M331-I685 HydrophobicContact CE-CB 3.96Å; M331-I685 HydrophobicContact CE-CD1 3.79Å; M331-I685 HydrophobicContact CE-CG1 4.3Å; M331-I685 HydrophobicContact CE-CG2 4.31Å; M331-I685 PolarHBondContact N-O 2.97Å; M331-I685 PolarHBondContact O-N 2.78Å; L657-I685 HydrophobicContact CB-CD1 3.42Å; L657-I685 VanDerWaalsContact CB-CD1 3.42Å; L657-I685 HydrophobicContact CB-CG1 4.06Å; L657-I685 HydrophobicContact CD1-CD1 4.49Å; L657-I685 HydrophobicContact CD1-CG1 4.48Å; I659-I685 HydrophobicContact CD1-CD1 4.28Å; I659-I685 HydrophobicContact CD1-CG2 4.03Å; I659-I685 HydrophobicContact CG1-CD1 3.94Å; I685-I687 HydrophobicContact CG2-CD1 4.02Å; I685-I687 HydrophobicContact CG2-CG1 3.85Å |
| 686 | I | 81.1 | Confident | 68.8 | Low | 47 Ų | 47 | 52.3 Ų | 52.3 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.8 | 172.1 | -55.4 | 179.8 | 0 | 0 | 0 | 108.3 | T328 L329 R330 Q688 | T328-I686 HydrophobicContact CG2-CG2 3.99Å; L329-I686 CarbonylContact O-C 3.59Å; L329-I686 WeakPolarHBondContact O-CA 3.47Å; R330-I686 HydrophobicContact CG-CG1 4.17Å; R330-I686 HydrophobicContact CG-CG2 4.3Å; I686-Q688 HydrophobicContact CG2-CG 4.48Å |
| 687 | I | 80.2 | Confident | 70.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.6 | 178.7 | -63.3 | 154 | 0 | 0 | 0 | 108.2 | T328 L329 F672 I685 T689 L695 I698 | T328-I687 CarbonylContact C-O 3.58Å; T328-I687 WeakPolarHBondContact CA-O 3.39Å; L329-I687 HydrophobicContact CB-CB 4.4Å; L329-I687 HydrophobicContact CD2-CD1 4.23Å; L329-I687 PolarHBondContact N-O 2.85Å; L329-I687 PolarHBondContact O-N 3.02Å; F672-I687 HydrophobicContact CE1-CG1 4.01Å; F672-I687 HydrophobicContact CE1-CG2 4.37Å; F672-I687 HydrophobicContact CZ-CG1 4.46Å; F672-I687 HydrophobicContact CZ-CG2 4.09Å; I685-I687 HydrophobicContact CG2-CD1 4.02Å; I685-I687 HydrophobicContact CG2-CG1 3.85Å; I687-T689 HydrophobicContact CG2-CG2 3.91Å; I687-L695 HydrophobicContact CB-CD1 4.12Å; I687-L695 HydrophobicContact CG2-CD1 3.58Å; I687-I698 HydrophobicContact CD1-CG2 3.51Å; I687-I698 HydrophobicContact CG1-CG2 4.05Å; I687-I698 HydrophobicContact CG2-CD1 3.77Å; I687-I698 HydrophobicContact CG2-CG2 4.15Å |
| 688 | Q | 80.2 | Confident | 72.5 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 27% | 0.271 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128 | 175.4 | -67.4 | -176.5 | -13.3 | 0 | 0 | 109.9 | Q326 T328 I686 | Q326-Q688 VanDerWaalsContact NE2-CD 3.34Å; T328-Q688 HydrophobicContact CG2-CG 4Å; I686-Q688 HydrophobicContact CG2-CG 4.48Å |
| 689 | T | 79.9 | Confident | 74.7 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156 | -179.1 | 63.6 | 0 | 0 | 0 | 0 | 111.1 | V327 I687 S691 E694 L695 I698 | V327-T689 PolarHBondContact N-O 2.79Å; V327-T689 PolarHBondContact O-N 2.75Å; I687-T689 HydrophobicContact CG2-CG2 3.91Å; T689-S691 PolarHBondContact OG1-O 2.85Å; T689-E694 HydrophobicContact CG2-CB 4.39Å; T689-L695 HydrophobicContact CG2-CB 4.38Å; T689-L695 HydrophobicContact CG2-CD1 4.27Å; T689-I698 HydrophobicContact CG2-CD1 3.59Å |
| 690 | K | 78.1 | Confident | 76.9 | Confident | 139 Ų | 139 | 43.4 Ų | 43.4 | 60% | 0.604 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -86 | -16.6 | 171.4 | -62.9 | -176.3 | -179.6 | -176 | 0 | 113.1 | ||
| 691 | S | 76.4 | Confident | 78.8 | Confident | 46 Ų | 46 | 44.4 Ų | 44.4 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | trans | -126.9 | 129.2 | -174.5 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | T689 N693 E694 L695 | T689-S691 PolarHBondContact OG1-O 2.85Å; S691-N693 PolarHBondContact O-N 2.04Å; S691-N693 PolarHBondContact OG-N 3Å; S691-E694 WeakPolarHBondContact O-CB 3.44Å; S691-E694 PolarHBondContact O-N 2.88Å; S691-E694 VanDerWaalsContact O-N 3.09Å; S691-L695 PolarHBondContact O-N 3.4Å | ||
| 692 | L | 78.9 | Confident | 80.2 | Confident | 31 Ų | 31 | 40 Ų | 40 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -31.9 | 175.2 | -170.9 | 63.7 | 0 | 0 | 0 | 113.2 | F283 I285 L695 S696 F728 | F283-L692 HydrophobicContact CB-CD1 3.53Å; F283-L692 HydrophobicContact CB-CD2 3.93Å; F283-L692 HydrophobicContact CB-CG 3.84Å; F283-L692 HydrophobicContact CD1-CD1 3.76Å; F283-L692 HydrophobicContact CD1-CD2 3.74Å; F283-L692 HydrophobicContact CD1-CG 4.28Å; F283-L692 HydrophobicContact CG-CD1 3.74Å; F283-L692 HydrophobicContact CG-CD2 4.25Å; F283-L692 HydrophobicContact CG-CG 4.38Å; I285-L692 HydrophobicContact CB-CD2 4.48Å; I285-L692 HydrophobicContact CG2-CD2 4.41Å; L692-L695 HydrophobicContact CD1-CD2 4.44Å; L692-S696 PolarHBondContact O-N 3Å; L692-S696 PolarHBondContact O-OG 2.76Å; L692-F728 HydrophobicContact CD1-CE1 4.02Å; L692-F728 HydrophobicContact CD1-CZ 4.09Å |
| 693 | N | 81.8 | Confident | 81.4 | Confident | 92 Ų | 92 | 39.4 Ų | 39.4 | 49% | 0.492 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.7 | -37.4 | 177.7 | -171.6 | 45.9 | 0 | 0 | 0 | 111.3 | S691 S696 K697 | S691-N693 PolarHBondContact O-N 2.04Å; S691-N693 PolarHBondContact OG-N 3Å; N693-S696 PolarHBondContact O-N 2.91Å; N693-K697 WeakPolarHBondContact O-CG 3.48Å; N693-K697 PolarHBondContact O-N 2.94Å |
| 694 | E | 80.1 | Confident | 82 | Confident | 67 Ų | 67 | 38.1 Ų | 38.1 | 31% | 0.313 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 173.4 | -68.9 | -176.8 | -179.2 | 0 | 0 | 111.3 | N670 T689 S691 S696 K697 I698 | N670-E694 PolarHBondContact ND2-OE2 2.88Å; T689-E694 HydrophobicContact CG2-CB 4.39Å; S691-E694 WeakPolarHBondContact O-CB 3.44Å; S691-E694 PolarHBondContact O-N 2.88Å; S691-E694 VanDerWaalsContact O-N 3.09Å; E694-S696 VanDerWaalsContact C-N 3.26Å; E694-S696 PolarHBondContact O-N 3.05Å; E694-K697 WeakPolarHBondContact O-CB 3.5Å; E694-K697 PolarHBondContact O-N 2.87Å; E694-I698 WeakPolarHBondContact O-CG1 3.38Å; E694-I698 PolarHBondContact O-N 3.04Å |
| 695 | L | 83.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.4 | -44.4 | 174.9 | -172.7 | 66.1 | 0 | 0 | 0 | 111.9 | W259 V327 L329 I687 T689 S691 L692 K697 I698 L699 T726 | W259-L695 HydrophobicContact CH2-CD2 3.9Å; W259-L695 HydrophobicContact CH2-CG 3.93Å; W259-L695 HydrophobicContact CZ2-CD2 3.73Å; W259-L695 HydrophobicContact CZ2-CG 4.15Å; V327-L695 HydrophobicContact CB-CD2 4.17Å; V327-L695 HydrophobicContact CG1-CD2 3.47Å; V327-L695 VanDerWaalsContact CG1-CD2 3.47Å; L329-L695 HydrophobicContact CB-CD1 3.65Å; L329-L695 HydrophobicContact CB-CD2 4.18Å; L329-L695 HydrophobicContact CB-CG 4.37Å; L329-L695 HydrophobicContact CD2-CD1 4.05Å; L329-L695 HydrophobicContact CD2-CG 4.44Å; I687-L695 HydrophobicContact CB-CD1 4.12Å; I687-L695 HydrophobicContact CG2-CD1 3.58Å; T689-L695 HydrophobicContact CG2-CB 4.38Å; T689-L695 HydrophobicContact CG2-CD1 4.27Å; S691-L695 PolarHBondContact O-N 3.4Å; L692-L695 HydrophobicContact CD1-CD2 4.44Å; L695-K697 VanDerWaalsContact C-N 3.33Å; L695-K697 PolarHBondContact O-N 3.42Å; L695-I698 PolarHBondContact O-N 3.24Å; L695-L699 WeakPolarHBondContact O-CB 3.38Å; L695-L699 PolarHBondContact O-N 3.03Å; L695-T726 HydrophobicContact CD2-CG2 4.27Å |
| 696 | S | 86.3 | Confident | 82.1 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 176.6 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | L692 N693 E694 R700 | L692-S696 PolarHBondContact O-N 3Å; L692-S696 PolarHBondContact O-OG 2.76Å; N693-S696 PolarHBondContact O-N 2.91Å; E694-S696 VanDerWaalsContact C-N 3.26Å; E694-S696 PolarHBondContact O-N 3.05Å; S696-R700 WeakPolarHBondContact O-CG 3.45Å; S696-R700 PolarHBondContact O-N 2.85Å |
| 697 | K | 84.2 | Confident | 81.3 | Confident | 106 Ų | 106 | 33.8 Ų | 33.8 | 46% | 0.461 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 175.9 | -72.5 | 172.9 | -175.9 | 179.5 | 0 | 112.2 | N693 E694 L695 R700 | N693-K697 WeakPolarHBondContact O-CG 3.48Å; N693-K697 PolarHBondContact O-N 2.94Å; E694-K697 WeakPolarHBondContact O-CB 3.5Å; E694-K697 PolarHBondContact O-N 2.87Å; L695-K697 VanDerWaalsContact C-N 3.33Å; L695-K697 PolarHBondContact O-N 3.42Å; K697-R700 PolarHBondContact O-N 3.02Å |
| 698 | I | 82.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.3 | -48.5 | 179.1 | -64.1 | 155.6 | 0 | 0 | 0 | 109.9 | F665 F672 I687 T689 E694 L695 R700 N701 V702 | F665-I698 HydrophobicContact CD1-CD1 4.39Å; F665-I698 HydrophobicContact CD1-CG1 3.48Å; F665-I698 VanDerWaalsContact CD1-CG1 3.48Å; F665-I698 HydrophobicContact CE1-CB 4.32Å; F665-I698 HydrophobicContact CE1-CG1 3.57Å; F665-I698 HydrophobicContact CG-CG1 4.05Å; F665-I698 HydrophobicContact CZ-CG1 4.19Å; F672-I698 HydrophobicContact CE1-CG2 4.05Å; F672-I698 HydrophobicContact CE2-CD1 3.54Å; F672-I698 HydrophobicContact CE2-CG1 4.2Å; F672-I698 HydrophobicContact CZ-CB 4.3Å; F672-I698 HydrophobicContact CZ-CD1 3.43Å; F672-I698 VanDerWaalsContact CZ-CD1 3.43Å; F672-I698 HydrophobicContact CZ-CG1 3.73Å; F672-I698 HydrophobicContact CZ-CG2 3.59Å; I687-I698 HydrophobicContact CD1-CG2 3.51Å; I687-I698 HydrophobicContact CG1-CG2 4.05Å; I687-I698 HydrophobicContact CG2-CD1 3.77Å; I687-I698 HydrophobicContact CG2-CG2 4.15Å; T689-I698 HydrophobicContact CG2-CD1 3.59Å; E694-I698 WeakPolarHBondContact O-CG1 3.38Å; E694-I698 PolarHBondContact O-N 3.04Å; L695-I698 PolarHBondContact O-N 3.24Å; I698-R700 PolarHBondContact O-N 3.04Å; I698-N701 PolarHBondContact O-N 2.96Å; I698-V702 PolarHBondContact O-N 2.8Å |
| 699 | L | 86.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -33.7 | -178.5 | -175.9 | 54.1 | 0 | 0 | 0 | 112.5 | W259 I262 A278 A281 L329 M331 L695 N701 V702 | W259-L699 HydrophobicContact CD2-CD2 3.95Å; W259-L699 HydrophobicContact CE3-CD2 3.82Å; W259-L699 HydrophobicContact CH2-CD2 3.64Å; W259-L699 HydrophobicContact CZ2-CD2 3.77Å; W259-L699 HydrophobicContact CZ3-CD2 3.66Å; I262-L699 HydrophobicContact CD1-CD2 3.61Å; A278-L699 HydrophobicContact CB-CD1 4Å; A278-L699 HydrophobicContact CB-CG 3.78Å; A278-L699 WeakPolarHBondContact CB-O 2.97Å; A281-L699 HydrophobicContact CB-CB 4.47Å; A281-L699 HydrophobicContact CB-CD2 3.93Å; A281-L699 HydrophobicContact CB-CG 4.04Å; L329-L699 HydrophobicContact CD2-CB 4.44Å; L329-L699 HydrophobicContact CD2-CD1 4.06Å; L329-L699 HydrophobicContact CD2-CD2 4.09Å; L329-L699 HydrophobicContact CD2-CG 4.43Å; M331-L699 HydrophobicContact SD-CD1 3.5Å; M331-L699 WeakPolarHBondContact SD-CD1 3.07Å; L695-L699 WeakPolarHBondContact O-CB 3.38Å; L695-L699 PolarHBondContact O-N 3.03Å; L699-N701 PolarHBondContact O-N 2.84Å; L699-V702 HydrophobicContact CD1-CB 4.37Å; L699-V702 HydrophobicContact CD1-CG2 4.15Å; L699-V702 WeakPolarHBondContact O-CB 3.47Å; L699-V702 PolarHBondContact O-N 3.01Å; L699-V702 VanDerWaalsContact O-N 3.12Å |
| 700 | R | 88.3 | Confident | 77.9 | Confident | 88 Ų | 88 | 33.5 Ų | 33.5 | 33% | 0.332 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.4 | -23.9 | 174.9 | -70 | 171.5 | -170.2 | 178.6 | 1.4 | 114.5 | A278 S279 A281 S696 K697 I698 | A278-R700 WeakPolarHBondContact O-CA 3.36Å; A278-R700 WeakPolarHBondContact O-CG 3.28Å; S279-R700 WeakPolarHBondContact O-CD 3.45Å; S279-R700 VanDerWaalsContact O-CG 3.28Å; S279-R700 WeakPolarHBondContact O-CG 3.29Å; A281-R700 HydrophobicContact CB-CG 4.31Å; A281-R700 VanDerWaalsContact O-CZ 3.28Å; A281-R700 PolarHBondContact O-NE 2.9Å; A281-R700 PolarHBondContact O-NH2 3.3Å; S696-R700 WeakPolarHBondContact O-CG 3.45Å; S696-R700 PolarHBondContact O-N 2.85Å; K697-R700 PolarHBondContact O-N 3.02Å; I698-R700 PolarHBondContact O-N 3.04Å |
| 701 | N | 83.7 | Confident | 76.5 | Confident | 58 Ų | 58 | 29.2 Ų | 29.2 | 31% | 0.31 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -0.1 | 178.1 | -72.6 | 10.5 | 0 | 0 | 0 | 112.9 | N660 F665 I698 L699 | N660-N701 HydrophobicContact CB-CB 4.49Å; N660-N701 PolarHBondContact N-O 3.09Å; F665-N701 HydrophobicContact CE2-CB 4.34Å; F665-N701 HydrophobicContact CZ-CB 4.15Å; F665-N701 WeakPolarHBondContact CZ-ND2 3.39Å; I698-N701 PolarHBondContact O-N 2.96Å; L699-N701 PolarHBondContact O-N 2.84Å |
| 702 | V | 85.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 129.6 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | F277 M331 L657 I658 I659 I698 L699 | F277-V702 HydrophobicContact CE1-CB 4.28Å; F277-V702 HydrophobicContact CE1-CG1 3.61Å; F277-V702 HydrophobicContact CZ-CB 4.41Å; F277-V702 HydrophobicContact CZ-CG1 3.88Å; M331-V702 HydrophobicContact CE-CB 4.09Å; M331-V702 HydrophobicContact CE-CG1 3.31Å; M331-V702 HydrophobicContact CE-CG2 3.75Å; M331-V702 HydrophobicContact SD-CG1 4.3Å; M331-V702 HydrophobicContact SD-CG2 4.32Å; L657-V702 HydrophobicContact CB-CG1 4.36Å; L657-V702 HydrophobicContact CD2-CG1 4.31Å; I658-V702 CarbonylContact O-C 3.51Å; I658-V702 WeakPolarHBondContact O-CA 3.28Å; I659-V702 HydrophobicContact CG1-CG2 4.42Å; I698-V702 PolarHBondContact O-N 2.8Å; L699-V702 HydrophobicContact CD1-CB 4.37Å; L699-V702 HydrophobicContact CD1-CG2 4.15Å; L699-V702 WeakPolarHBondContact O-CB 3.47Å; L699-V702 PolarHBondContact O-N 3.01Å; L699-V702 VanDerWaalsContact O-N 3.12Å |
| 703 | T | 84.5 | Confident | 73.6 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.6 | -177.7 | -56.9 | 0 | 0 | 0 | 0 | 109.1 | P274 Y275 L657 I658 N660 | P274-T703 HydrophobicContact CB-CG2 3.28Å; Y275-T703 VanDerWaalsContact N-CG2 3.31Å; Y275-T703 WeakPolarHBondContact O-CA 3.34Å; Y275-T703 WeakPolarHBondContact O-CG2 3.42Å; L657-T703 WeakPolarHBondContact CA-O 3.1Å; I658-T703 PolarHBondContact N-O 3.18Å; I658-T703 PolarHBondContact O-N 2.82Å; N660-T703 PolarHBondContact ND2-OG1 3.17Å |
| 704 | F | 85.6 | Confident | 72.1 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 124.5 | 167.7 | 176.6 | -109.6 | 0 | 0 | 0 | 108 | I266 Y268 Y275 F277 I333 P655 L657 N706 P719 I722 I746 | I266-F704 HydrophobicContact CD1-CB 4.19Å; I266-F704 HydrophobicContact CD1-CD1 3.75Å; I266-F704 HydrophobicContact CD1-CE1 4.4Å; I266-F704 HydrophobicContact CD1-CG 4.08Å; Y268-F704 HydrophobicContact CG-CE1 4.47Å; Y275-F704 PolarHBondContact N-O 2.03Å; Y275-F704 PolarHBondContact O-N 2.93Å; F277-F704 HydrophobicContact CD1-CB 3.94Å; F277-F704 HydrophobicContact CE1-CB 4.38Å; I333-F704 HydrophobicContact CD1-CD2 4.42Å; I333-F704 HydrophobicContact CD1-CE2 4.03Å; P655-F704 HydrophobicContact CB-CE2 4.34Å; P655-F704 HydrophobicContact CB-CZ 4.42Å; L657-F704 HydrophobicContact CD2-CB 4.47Å; L657-F704 HydrophobicContact CD2-CD2 4.24Å; F704-N706 HydrophobicContact CE1-CB 3.81Å; F704-N706 HydrophobicContact CZ-CB 3.78Å; F704-P719 HydrophobicContact CE2-CB 4.41Å; F704-P719 HydrophobicContact CZ-CB 4.17Å; F704-P719 HydrophobicContact CZ-CG 3.9Å; F704-I722 HydrophobicContact CB-CD1 4.11Å; F704-I722 HydrophobicContact CD2-CD1 4.1Å; F704-I722 HydrophobicContact CG-CD1 4.21Å; F704-I746 HydrophobicContact CE1-CD1 4.32Å; F704-I746 HydrophobicContact CE1-CG2 3.98Å; F704-I746 HydrophobicContact CE2-CD1 3.89Å; F704-I746 HydrophobicContact CZ-CD1 3.78Å; F704-I746 HydrophobicContact CZ-CG2 4.18Å |
| 705 | Y | 78.5 | Confident | 70.7 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.7 | 175.7 | -179.9 | -107.8 | 0 | 0 | 0 | 109.4 | P274 N375 T378 P655 R656 I658 P707 | P274-Y705 HydrophobicContact CB-CD2 3.94Å; P274-Y705 HydrophobicContact CG-CD2 3.56Å; P274-Y705 HydrophobicContact CG-CE2 3.96Å; P274-Y705 HydrophobicContact CG-CG 4.4Å; N375-Y705 PolarHBondContact OD1-OH 3.31Å; N375-Y705 VanDerWaalsContact OD1-OH 3.09Å; T378-Y705 WeakPolarHBondContact CB-OH 3.19Å; T378-Y705 HydrophobicContact CG2-CE2 3.9Å; T378-Y705 PolarHBondContact OG1-OH 2.87Å; P655-Y705 WeakPolarHBondContact CA-O 3.5Å; R656-Y705 HydrophobicContact CG-CD1 4.38Å; R656-Y705 PolarHBondContact N-O 3.32Å; R656-Y705 PolarHBondContact O-N 3.36Å; I658-Y705 HydrophobicContact CD1-CD1 4.21Å; I658-Y705 HydrophobicContact CD1-CG 4.02Å; Y705-P707 HydrophobicContact CD1-CG 4.47Å; Y705-P707 HydrophobicContact CE1-CB 3.78Å; Y705-P707 HydrophobicContact CE1-CG 3.84Å |
| 706 | N | 77.3 | Confident | 69.5 | Low | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | trans | -129.5 | 105.9 | 171.7 | -173.9 | 3.6 | 0 | 0 | 0 | 107.4 | Y268 P655 F704 R708 | Y268-N706 HydrophobicContact CD2-CB 4.49Å; Y268-N706 HydrophobicContact CE2-CB 4.02Å; Y268-N706 PolarHBondContact OH-ND2 3.09Å; P655-N706 HydrophobicContact CB-CB 4.22Å; F704-N706 HydrophobicContact CE1-CB 3.81Å; F704-N706 HydrophobicContact CZ-CB 3.78Å; N706-R708 PolarHBondContact O-N 3.41Å; N706-R708 WeakPolarHBondContact OD1-CB 3.16Å; N706-R708 PolarHBondContact OD1-N 2.73Å | ||
| 707 | P | 65 | Low | 68.3 | Low | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | trans | -69.4 | 0.6 | -179.8 | 27.3 | -31.8 | 0 | 0 | 0 | 114.2 | N375 C653 Y705 | N375-P707 WeakPolarHBondContact OD1-CB 3.37Å; N375-P707 WeakPolarHBondContact OD1-CG 3.21Å; C653-P707 WeakPolarHBondContact O-CG 3.49Å; Y705-P707 HydrophobicContact CD1-CG 4.47Å; Y705-P707 HydrophobicContact CE1-CB 3.78Å; Y705-P707 HydrophobicContact CE1-CG 3.84Å | ||
| 708 | R | 67.2 | Low | 67.6 | Low | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | trans | -71.2 | 173.7 | -172.2 | -175.7 | 164.1 | 177.2 | 162.4 | -6 | 115.4 | Y268 A270 L271 D366 N706 P713 E718 | Y268-R708 PolarHBondContact OH-O 3.38Å; A270-R708 VanDerWaalsContact CA-O 3.25Å; A270-R708 WeakPolarHBondContact CA-O 3.3Å; A270-R708 VanDerWaalsContact CB-O 3.32Å; A270-R708 WeakPolarHBondContact CB-O 3.28Å; L271-R708 PolarHBondContact N-O 3.15Å; D366-R708 WeakPolarHBondContact OD2-CD 3.25Å; D366-R708 VanDerWaalsContact OD2-CG 3.28Å; D366-R708 WeakPolarHBondContact OD2-CG 3.39Å; D366-R708 IonicContact OD2-NE 2.78Å; N706-R708 PolarHBondContact O-N 3.41Å; N706-R708 WeakPolarHBondContact OD1-CB 3.16Å; N706-R708 PolarHBondContact OD1-N 2.73Å; R708-P713 VanDerWaalsContact NH2-CD 3.34Å; R708-E718 IonicContact CZ-OE1 3.05Å; R708-E718 IonicContact CZ-OE2 3.27Å; R708-E718 IonicContact NE-OE1 3.58Å; R708-E718 PolarHBondContact NE-OE1 3.08Å; R708-E718 IonicContact NE-OE2 3.97Å; R708-E718 IonicContact NH1-OE1 2.93Å; R708-E718 IonicContact NH1-OE2 3.65Å; R708-E718 VanDerWaalsContact NH2-CD 3.33Å; R708-E718 IonicContact NH2-OE1 3.03Å; R708-E718 PolarHBondContact NH2-OE1 3.01Å | ||
| 709 | L | 53.3 | Low | 67.4 | Low | 23 Ų | 23 | 43.3 Ų | 43.3 | 12% | 0.12 | 19% | 0.188 | C | C | . | . | trans | -122.6 | 166 | -137.8 | -71.9 | 164.5 | 0 | 0 | 0 | 117.2 | L271 D366 D368 S371 Y711 | L271-L709 HydrophobicContact CD2-CD2 4.19Å; D366-L709 HydrophobicContact CB-CD1 3.4Å; D366-L709 HydrophobicContact CB-CG 4.46Å; D368-L709 HydrophobicContact CB-CD1 3.96Å; D368-L709 WeakPolarHBondContact OD1-CD2 3.49Å; D368-L709 WeakPolarHBondContact OD2-CD1 3.04Å; D368-L709 WeakPolarHBondContact OD2-CD2 3.39Å; D368-L709 VanDerWaalsContact OD2-CG 3.24Å; D368-L709 WeakPolarHBondContact OD2-CG 3.22Å; S371-L709 WeakPolarHBondContact OG-CD1 3.23Å; S371-L709 WeakPolarHBondContact OG-CD2 3.22Å; S371-L709 WeakPolarHBondContact OG-CG 3.14Å; L709-Y711 PolarHBondContact O-N 2.88Å; L709-Y711 VanDerWaalsContact O-N 3.07Å | ||
| 710 | Q | 46.9 | Very low | 67.1 | Low | 30 Ų | 30 | 46.1 Ų | 46.1 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -44 | -20.5 | 157.9 | -148.3 | 164.3 | 27 | 0 | 0 | 116.5 | L416 P751 | L416-Q710 HydrophobicContact CD1-CG 3.48Å; L416-Q710 VanDerWaalsContact CD1-CG 3.48Å; L416-Q710 VanDerWaalsContact CD2-CD 3.46Å; L416-Q710 HydrophobicContact CD2-CG 3.36Å; L416-Q710 HydrophobicContact CG-CG 3.9Å; Q710-P751 HydrophobicContact CB-CG 4.04Å; Q710-P751 HydrophobicContact CG-CG 3.59Å |
| 711 | Y | 48.5 | Very low | 66.8 | Low | 50 Ų | 50 | 42.1 Ų | 42.1 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -136.9 | 145.3 | 178.5 | -74.2 | -68.3 | 0 | 0 | 0 | 114.1 | G412 I413 L416 L709 | G412-Y711 WeakPolarHBondContact O-CE1 3.45Å; G412-Y711 PolarHBondContact O-OH 2.87Å; I413-Y711 VanDerWaalsContact CA-CZ 3.48Å; I413-Y711 WeakPolarHBondContact CA-OH 3.35Å; I413-Y711 HydrophobicContact CB-CE2 4.17Å; I413-Y711 HydrophobicContact CG1-CD2 4.18Å; I413-Y711 HydrophobicContact CG1-CE2 3.68Å; I413-Y711 HydrophobicContact CG2-CE2 4.18Å; I413-Y711 PolarHBondContact O-OH 2.79Å; L416-Y711 HydrophobicContact CD1-CD2 4.35Å; L416-Y711 HydrophobicContact CD1-CE2 3.27Å; L416-Y711 WeakPolarHBondContact CD1-OH 3.33Å; L416-Y711 HydrophobicContact CG-CE2 4Å; L416-Y711 WeakPolarHBondContact CG-OH 3.28Å; L709-Y711 PolarHBondContact O-N 2.88Å; L709-Y711 VanDerWaalsContact O-N 3.07Å |
| 712 | K | 49.1 | Very low | 67 | Low | 111 Ų | 111 | 39.3 Ų | 39.3 | 48% | 0.483 | 18% | 0.176 | S | C | . | . | trans | -90.3 | 114.6 | 173.5 | 167.6 | 174.7 | -177.3 | -172.3 | 0 | 110.1 | D339 R714 | D339-K712 IonicContact OD2-NZ 2.68Å; K712-R714 PolarHBondContact O-N 3.48Å | ||
| 713 | P | 46.9 | Very low | 67.1 | Low | 50 Ų | 50 | 41.7 Ų | 41.7 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | trans | -57.3 | 138.7 | 161.8 | -16.4 | 27.6 | 0 | 0 | 0 | 109.1 | D366 R708 Y715 R716 | D366-P713 WeakPolarHBondContact OD1-CG 3.44Å; R708-P713 VanDerWaalsContact NH2-CD 3.34Å; P713-Y715 PolarHBondContact O-N 2.95Å; P713-R716 HydrophobicContact CB-CB 4.23Å; P713-R716 HydrophobicContact CG-CB 4.26Å; P713-R716 PolarHBondContact O-N 3Å | ||
| 714 | R | 49.3 | Very low | 67.3 | Low | 190 Ų | 190 | 41.6 Ų | 41.6 | 72% | 0.717 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -31.7 | -176.4 | -82.1 | -170.2 | -172 | -172.8 | 5.1 | 113.4 | K712 | K712-R714 PolarHBondContact O-N 3.48Š|
| 715 | Y | 50.6 | Low | 67.2 | Low | 200 Ų | 200 | 43.7 Ų | 43.7 | 78% | 0.784 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113 | 8.3 | -167.3 | -57.3 | -70.5 | 0 | 0 | 0 | 115.1 | P713 | P713-Y715 PolarHBondContact O-N 2.95Š|
| 716 | R | 59.8 | Low | 67.6 | Low | 27 Ų | 27 | 43.6 Ų | 43.6 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -98 | 120.6 | -179.9 | -171.3 | 173.8 | 179.2 | -164.9 | 21.4 | 111.8 | D366 C653 P655 P713 | D366-R716 VanDerWaalsContact OD1-CD 3.31Å; D366-R716 WeakPolarHBondContact OD1-CD 3.29Å; D366-R716 IonicContact OD1-CZ 2.69Å; D366-R716 IonicContact OD1-NE 3.97Å; D366-R716 IonicContact OD1-NH1 3.55Å; D366-R716 PolarHBondContact OD1-NH1 3.27Å; D366-R716 IonicContact OD2-CZ 2.78Å; D366-R716 IonicContact OD2-NH1 2.69Å; D366-R716 PolarHBondContact OD2-NH1 3.19Å; C653-R716 PolarHBondContact O-NH2 2.85Å; C653-R716 VanDerWaalsContact O-NH2 3.16Å; P655-R716 VanDerWaalsContact CD-NH2 3.3Å; P713-R716 HydrophobicContact CB-CB 4.23Å; P713-R716 HydrophobicContact CG-CB 4.26Å; P713-R716 PolarHBondContact O-N 3Å |
| 717 | P | 61.2 | Low | 67.8 | Low | 22 Ų | 22 | 46.1 Ų | 46.1 | 14% | 0.143 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 138.7 | 174.8 | 24.4 | -31.6 | 0 | 0 | 0 | 111.1 | W335 | W335-P717 HydrophobicContact CB-CB 4.18Å; W335-P717 HydrophobicContact CE3-CB 4.13Å; W335-P717 HydrophobicContact CE3-CG 4.3Å |
| 718 | E | 69.1 | Low | 68.6 | Low | 39 Ų | 39 | 46 Ų | 46 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -92.9 | 142 | 178 | -73.9 | -78.5 | -171 | 0 | 0 | 110.6 | W335 S336 R708 V720 | W335-E718 CarbonylContact C-O 3.48Å; W335-E718 VanDerWaalsContact CA-O 3.27Å; W335-E718 WeakPolarHBondContact CA-O 3.4Å; S336-E718 PolarHBondContact N-O 3.07Å; S336-E718 PolarHBondContact OG-N 3.04Å; R708-E718 IonicContact CZ-OE1 3.05Å; R708-E718 IonicContact CZ-OE2 3.27Å; R708-E718 IonicContact NE-OE1 3.58Å; R708-E718 PolarHBondContact NE-OE1 3.08Å; R708-E718 IonicContact NE-OE2 3.97Å; R708-E718 IonicContact NH1-OE1 2.93Å; R708-E718 IonicContact NH1-OE2 3.65Å; R708-E718 VanDerWaalsContact NH2-CD 3.33Å; R708-E718 IonicContact NH2-OE1 3.03Å; R708-E718 PolarHBondContact NH2-OE1 3.01Å; E718-V720 PolarHBondContact O-N 2.57Å |
| 719 | P | 77.8 | Confident | 69.1 | Low | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 114 | 167.6 | 32.8 | -34.8 | 0 | 0 | 0 | 108.4 | I333 L334 W335 P655 F704 I746 | I333-P719 HydrophobicContact CG2-CB 3.5Å; I333-P719 VanDerWaalsContact CG2-CB 3.5Å; L334-P719 CarbonylContact O-C 3.5Å; L334-P719 WeakPolarHBondContact O-CA 3.26Å; W335-P719 HydrophobicContact CE3-CB 4.42Å; W335-P719 HydrophobicContact CZ3-CB 4.27Å; P655-P719 HydrophobicContact CB-CB 4.36Å; P655-P719 HydrophobicContact CB-CG 3.96Å; P655-P719 HydrophobicContact CG-CG 4.09Å; F704-P719 HydrophobicContact CE2-CB 4.41Å; F704-P719 HydrophobicContact CZ-CB 4.17Å; F704-P719 HydrophobicContact CZ-CG 3.9Å; P719-I746 HydrophobicContact CB-CD1 3.73Å; P719-I746 HydrophobicContact CG-CD1 4.45Å |
| 720 | V | 80.5 | Confident | 70.1 | Confident | 59 Ų | 59 | 48.4 Ų | 48.4 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -31.3 | -178.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L334 E718 I746 | L334-V720 PolarHBondContact O-N 2.66Å; E718-V720 PolarHBondContact O-N 2.57Å; V720-I746 PolarHBondContact O-N 3.03Å |
| 721 | A | 83.5 | Confident | 71.2 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 163.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L334 V743 I744 L745 | L334-A721 HydrophobicContact CB-CB 4.18Å; L334-A721 HydrophobicContact CD1-CB 4.18Å; L334-A721 HydrophobicContact CG-CB 4.49Å; L334-A721 PolarHBondContact N-O 2.65Å; L334-A721 PolarHBondContact O-N 2.84Å; A721-V743 HydrophobicContact CB-CG1 3.51Å; A721-I744 CarbonylContact C-O 3.56Å; A721-I744 WeakPolarHBondContact CA-O 3.27Å; A721-I744 VanDerWaalsContact CB-O 3.24Å; A721-I744 WeakPolarHBondContact CB-O 3.37Å; A721-L745 HydrophobicContact CB-CD2 4.4Å |
| 722 | I | 87.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119.1 | 164.9 | -50.9 | 172.5 | 0 | 0 | 0 | 107.2 | I266 F277 K332 L657 F704 L724 V743 I744 I746 | I266-I722 HydrophobicContact CD1-CD1 4.05Å; F277-I722 HydrophobicContact CD1-CD1 4.08Å; F277-I722 HydrophobicContact CE1-CD1 3.88Å; F277-I722 HydrophobicContact CE2-CD1 4.42Å; F277-I722 HydrophobicContact CG-CD1 4.43Å; F277-I722 HydrophobicContact CZ-CD1 4.07Å; K332-I722 CarbonylContact O-C 3.58Å; K332-I722 WeakPolarHBondContact O-CA 3.38Å; L657-I722 HydrophobicContact CD1-CG2 4.41Å; L657-I722 HydrophobicContact CD2-CD1 3.91Å; L657-I722 HydrophobicContact CD2-CG1 4.48Å; L657-I722 HydrophobicContact CD2-CG2 4.35Å; F704-I722 HydrophobicContact CB-CD1 4.11Å; F704-I722 HydrophobicContact CD2-CD1 4.1Å; F704-I722 HydrophobicContact CG-CD1 4.21Å; I722-L724 HydrophobicContact CG2-CD2 4.27Å; I722-V743 WeakPolarHBondContact O-CA 3.28Å; I722-I744 HydrophobicContact CB-CB 4.22Å; I722-I744 HydrophobicContact CB-CD1 4.4Å; I722-I744 PolarHBondContact N-O 3.4Å; I722-I744 PolarHBondContact O-N 2.96Å; I722-I746 HydrophobicContact CD1-CD1 4.48Å; I722-I746 HydrophobicContact CG1-CD1 3.79Å; I722-I746 HydrophobicContact CG1-CG1 4.16Å |
| 723 | Q | 86.6 | Confident | 72.3 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 23% | 0.229 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.6 | 172.3 | -177.4 | 174.5 | 13 | 0 | 0 | 109.7 | M331 K332 L334 N725 | M331-Q723 CarbonylContact C-O 3.53Å; M331-Q723 VanDerWaalsContact CA-O 3.24Å; M331-Q723 WeakPolarHBondContact CA-O 3.48Å; K332-Q723 PolarHBondContact N-O 2.79Å; K332-Q723 PolarHBondContact O-N 3.47Å; L334-Q723 HydrophobicContact CD1-CB 4.01Å; L334-Q723 HydrophobicContact CD2-CB 4.19Å; L334-Q723 HydrophobicContact CG-CB 3.98Å; Q723-N725 VanDerWaalsContact CG-OD1 3.24Å; Q723-N725 WeakPolarHBondContact CG-OD1 3.17Å; Q723-N725 PolarHBondContact NE2-ND2 3.43Å; Q723-N725 PolarHBondContact NE2-OD1 2.95Å |
| 724 | L | 88.9 | Confident | 72.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.2 | 173.3 | -60.1 | 178.8 | 0 | 0 | 0 | 108.8 | I262 L329 R330 M331 I722 N741 Q742 I744 | I262-L724 HydrophobicContact CD1-CD1 3.72Å; I262-L724 HydrophobicContact CG2-CD1 4.31Å; L329-L724 HydrophobicContact CD1-CB 4.36Å; R330-L724 CarbonylContact O-C 3.08Å; R330-L724 WeakPolarHBondContact O-CA 3.45Å; M331-L724 HydrophobicContact CB-CD2 3.88Å; M331-L724 HydrophobicContact CG-CD2 3.38Å; M331-L724 HydrophobicContact SD-CD2 3.49Å; M331-L724 WeakPolarHBondContact SD-CD2 3.31Å; I722-L724 HydrophobicContact CG2-CD2 4.27Å; L724-N741 CarbonylContact O-C 3.55Å; L724-N741 VanDerWaalsContact O-CA 3.29Å; L724-N741 WeakPolarHBondContact O-CA 2.85Å; L724-Q742 HydrophobicContact CB-CB 4.31Å; L724-Q742 PolarHBondContact N-O 3.43Å; L724-Q742 PolarHBondContact O-N 3.04Å; L724-I744 HydrophobicContact CD1-CD1 3.77Å; L724-I744 HydrophobicContact CD1-CG1 4.41Å; L724-I744 HydrophobicContact CG-CD1 4.22Å |
| 725 | N | 85.1 | Confident | 72.7 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 116.3 | 173.4 | -63 | -6.9 | 0 | 0 | 0 | 108.7 | L329 R330 Q723 F740 N741 | L329-N725 CarbonylContact C-O 3.54Å; L329-N725 WeakPolarHBondContact CA-O 3.24Å; R330-N725 HydrophobicContact CB-CB 4.35Å; R330-N725 PolarHBondContact N-O 2.83Å; R330-N725 PolarHBondContact O-N 3.42Å; Q723-N725 VanDerWaalsContact CG-OD1 3.24Å; Q723-N725 WeakPolarHBondContact CG-OD1 3.17Å; Q723-N725 PolarHBondContact NE2-ND2 3.43Å; Q723-N725 PolarHBondContact NE2-OD1 2.95Å; N725-F740 CarbonylContact C-O 3.44Å; N725-F740 WeakPolarHBondContact CA-O 3.5Å; N725-N741 WeakPolarHBondContact CB-OD1 3.41Å; N725-N741 PolarHBondContact OD1-OD1 3.21Å |
| 726 | T | 85.4 | Confident | 72.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117.3 | 178.5 | -44.7 | 0 | 0 | 0 | 0 | 109 | W259 F283 V327 T328 L329 L695 F728 T739 F740 | W259-T726 PolarHBondContact NE1-OG1 3.14Å; F283-T726 HydrophobicContact CE2-CG2 4.34Å; V327-T726 HydrophobicContact CG1-CG2 3.74Å; T328-T726 CarbonylContact O-C 3.54Å; T328-T726 WeakPolarHBondContact O-CA 3.3Å; L329-T726 WeakPolarHBondContact CD1-OG1 3.42Å; L695-T726 HydrophobicContact CD2-CG2 4.27Å; T726-F728 HydrophobicContact CG2-CD2 4.4Å; T726-F728 HydrophobicContact CG2-CE2 3.62Å; T726-F728 HydrophobicContact CG2-CZ 3.89Å; T726-T739 CarbonylContact O-C 3.57Å; T726-T739 WeakPolarHBondContact O-CA 3.28Å; T726-F740 PolarHBondContact N-O 3.06Å; T726-F740 PolarHBondContact O-N 3.28Å |
| 727 | L | 82.3 | Confident | 72.3 | Confident | 58 Ų | 58 | 49 Ų | 49 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.2 | 177.7 | 176.1 | 69.7 | 0 | 0 | 0 | 109.3 | V327 T328 P737 T739 | V327-L727 WeakPolarHBondContact CA-O 3.06Å; T328-L727 PolarHBondContact N-O 2.79Å; T328-L727 PolarHBondContact O-N 2.8Å; L727-P737 HydrophobicContact CD1-CB 4.29Å; L727-T739 HydrophobicContact CD1-CG2 3.52Å |
| 728 | F | 81.2 | Confident | 72.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129 | 173.1 | -65.7 | -95.6 | 0 | 0 | 0 | 109.4 | F283 I285 I324 V327 L692 T726 Y730 S738 F740 | F283-F728 AromaticContact CD1-CZ 3.83Å; F283-F728 HydrophobicContact CD1-CZ 3.83Å; F283-F728 HydrophobicContact CE1-CE1 4.27Å; F283-F728 AromaticContact CE1-CE2 3.8Å; F283-F728 HydrophobicContact CE1-CE2 3.8Å; F283-F728 AromaticContact CE1-CZ 3.29Å; F283-F728 HydrophobicContact CE1-CZ 3.29Å; F283-F728 HydrophobicContact CE2-CE2 4.28Å; F283-F728 HydrophobicContact CE2-CZ 4.19Å; F283-F728 HydrophobicContact CG-CZ 4.47Å; F283-F728 AromaticContact CZ-CE2 3.56Å; F283-F728 HydrophobicContact CZ-CE2 3.56Å; F283-F728 AromaticContact CZ-CZ 3.5Å; F283-F728 HydrophobicContact CZ-CZ 3.5Å; I285-F728 HydrophobicContact CD1-CD1 4.23Å; I285-F728 HydrophobicContact CD1-CE1 3.98Å; I285-F728 HydrophobicContact CD1-CZ 4.44Å; I324-F728 HydrophobicContact CD1-CD1 3.95Å; I324-F728 HydrophobicContact CD1-CE1 3.99Å; I324-F728 HydrophobicContact CG1-CD1 4.23Å; I324-F728 HydrophobicContact CG2-CD1 4.14Å; V327-F728 HydrophobicContact CG1-CD1 4.16Å; V327-F728 HydrophobicContact CG1-CE1 3.89Å; V327-F728 HydrophobicContact CG1-CZ 4.11Å; V327-F728 HydrophobicContact CG2-CD1 3.84Å; V327-F728 HydrophobicContact CG2-CE1 3.81Å; L692-F728 HydrophobicContact CD1-CE1 4.02Å; L692-F728 HydrophobicContact CD1-CZ 4.09Å; T726-F728 HydrophobicContact CG2-CD2 4.4Å; T726-F728 HydrophobicContact CG2-CE2 3.62Å; T726-F728 HydrophobicContact CG2-CZ 3.89Å; F728-Y730 HydrophobicContact CB-CD2 4.42Å; F728-Y730 HydrophobicContact CB-CE1 4.47Å; F728-Y730 HydrophobicContact CB-CE2 3.71Å; F728-S738 WeakPolarHBondContact CD2-O 3.37Å; F728-S738 WeakPolarHBondContact CD2-OG 3.3Å; F728-S738 PolarHBondContact N-O 2.85Å; F728-F740 AromaticContact CD2-CD2 3.64Å; F728-F740 HydrophobicContact CD2-CD2 3.64Å; F728-F740 AromaticContact CD2-CE2 3.53Å; F728-F740 HydrophobicContact CD2-CE2 3.53Å; F728-F740 AromaticContact CE2-CD2 3.34Å; F728-F740 HydrophobicContact CE2-CD2 3.34Å; F728-F740 AromaticContact CE2-CE2 3.44Å; F728-F740 HydrophobicContact CE2-CE2 3.44Å; F728-F740 VanDerWaalsContact CE2-CE2 3.44Å; F728-F740 HydrophobicContact CZ-CE2 4.49Å |
| 729 | T | 77 | Confident | 72.1 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 32% | 0.319 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 124.7 | 163.1 | 57.5 | 0 | 0 | 0 | 0 | 107.7 | E325 Q326 | E325-T729 PolarHBondContact N-O 3.42Å; Q326-T729 WeakPolarHBondContact CA-OG1 3.06Å; Q326-T729 VanDerWaalsContact CB-OG1 3.27Å; Q326-T729 WeakPolarHBondContact CB-OG1 3.17Å; Q326-T729 PolarHBondContact N-O 3.28Å; Q326-T729 PolarHBondContact N-OG1 3.36Å; Q326-T729 PolarHBondContact O-N 3.2Å; Q326-T729 PolarHBondContact O-OG1 3.29Å; Q326-T729 VanDerWaalsContact O-OG1 3.08Å |
| 730 | Y | 75.9 | Confident | 72 | Confident | 23 Ų | 23 | 53 Ų | 53 | 9% | 0.09 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 159.6 | 176.1 | -60 | -82.4 | 0 | 0 | 0 | 108.9 | C322 I324 F728 C734 I736 S738 | C322-Y730 HydrophobicContact CB-CD1 3.63Å; C322-Y730 HydrophobicContact CB-CE1 4.09Å; C322-Y730 HydrophobicContact CB-CG 4.17Å; I324-Y730 HydrophobicContact CG1-CD1 4.23Å; I324-Y730 HydrophobicContact CG1-CE1 3.87Å; F728-Y730 HydrophobicContact CB-CD2 4.42Å; F728-Y730 HydrophobicContact CB-CE1 4.47Å; F728-Y730 HydrophobicContact CB-CE2 3.71Å; Y730-C734 HydrophobicContact CG-CB 4.24Å; Y730-I736 WeakPolarHBondContact CD2-O 3.36Å; Y730-I736 VanDerWaalsContact CE2-O 3.28Å; Y730-I736 WeakPolarHBondContact CE2-O 3.12Å; Y730-S738 PolarHBondContact OH-OG 2.85Å |
| 731 | A | 70.4 | Confident | 71.9 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 156.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P323 D733 C734 | P323-A731 HydrophobicContact CG-CB 4.11Å; P323-A731 PolarHBondContact O-N 3.4Å; A731-D733 PolarHBondContact O-N 2.89Å; A731-C734 PolarHBondContact O-N 2.84Å |
| 732 | T | 60.4 | Low | 71.8 | Confident | 133 Ų | 133 | 56.9 Ų | 56.9 | 82% | 0.816 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -18.6 | -165.6 | 51 | 0 | 0 | 0 | 0 | 117.2 | ||
| 733 | D | 58.6 | Low | 71.6 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 12.1 | -173.3 | -54.1 | -15.5 | 0 | 0 | 0 | 113.1 | A731 | A731-D733 PolarHBondContact O-N 2.89Š|
| 734 | C | 58.1 | Low | 71.5 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | trans | -122.7 | 99.6 | -178.9 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | C322 Y730 A731 I736 | C322-C734 VanDerWaalsContact CA-SG 3.58Å; C322-C734 HydrophobicContact CB-CB 3.98Å; C322-C734 WeakPolarHBondContact CB-SG 3.34Å; C322-C734 WeakPolarHBondContact SG-CB 3.49Å; C322-C734 CovalentContact SG-SG 2.04Å; C322-C734 PolarHBondContact SG-SG 2.81Å; Y730-C734 HydrophobicContact CG-CB 4.24Å; A731-C734 PolarHBondContact O-N 2.84Å; C734-I736 PolarHBondContact O-N 2.82Å | ||
| 735 | E | 48.1 | Very low | 71.2 | Confident | 179 Ų | 179 | 60.3 Ų | 60.3 | 84% | 0.836 | 34% | 0.336 | S | S | * | . | trans | -75.3 | 23.6 | -175.2 | -75.5 | -170.2 | 153.6 | 0 | 0 | 116 | ||||
| 736 | I | 52 | Low | 71 | Confident | 92 Ų | 92 | 58.6 Ų | 58.6 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | trans | -130 | 95.5 | -176.8 | -46.8 | 175.9 | 0 | 0 | 0 | 111.3 | Y730 C734 S738 | Y730-I736 WeakPolarHBondContact CD2-O 3.36Å; Y730-I736 VanDerWaalsContact CE2-O 3.28Å; Y730-I736 WeakPolarHBondContact CE2-O 3.12Å; C734-I736 PolarHBondContact O-N 2.82Å; I736-S738 PolarHBondContact O-N 2.84Å; I736-S738 VanDerWaalsContact O-N 3.08Å | ||
| 737 | P | 48.7 | Very low | 70.4 | Confident | 97 Ų | 97 | 59.1 Ų | 59.1 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | trans | -63.5 | 108.4 | 161 | -13.3 | 27.1 | 0 | 0 | 0 | 108.6 | L727 | L727-P737 HydrophobicContact CD1-CB 4.29Š| ||
| 738 | S | 65.2 | Low | 69.8 | Low | 15 Ų | 15 | 60.3 Ų | 60.3 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | trans | -87.9 | 111.5 | 173.6 | 58.1 | 0 | 0 | 0 | 0 | 108.9 | F728 Y730 I736 F740 | F728-S738 WeakPolarHBondContact CD2-O 3.37Å; F728-S738 WeakPolarHBondContact CD2-OG 3.3Å; F728-S738 PolarHBondContact N-O 2.85Å; Y730-S738 PolarHBondContact OH-OG 2.85Å; I736-S738 PolarHBondContact O-N 2.84Å; I736-S738 VanDerWaalsContact O-N 3.08Å; S738-F740 VanDerWaalsContact CB-CE2 3.49Å; S738-F740 WeakPolarHBondContact OG-CE2 3.46Å | ||
| 739 | T | 61.7 | Low | 69 | Low | 91 Ų | 91 | 63.6 Ų | 63.6 | 56% | 0.558 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.3 | 169.6 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | T726 L727 | T726-T739 CarbonylContact O-C 3.57Å; T726-T739 WeakPolarHBondContact O-CA 3.28Å; L727-T739 HydrophobicContact CD1-CG2 3.52Å |
| 740 | F | 75.3 | Confident | 68.1 | Low | 45 Ų | 45 | 66 Ų | 66 | 20% | 0.197 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115.5 | 177 | -60.2 | -83.8 | 0 | 0 | 0 | 109.9 | S257 F283 N725 T726 F728 S738 | S257-F740 VanDerWaalsContact O-CD1 3.3Å; S257-F740 WeakPolarHBondContact O-CD1 3.19Å; S257-F740 WeakPolarHBondContact O-CE1 3.5Å; F283-F740 HydrophobicContact CE2-CB 4.45Å; F283-F740 HydrophobicContact CE2-CG 4.46Å; F283-F740 HydrophobicContact CZ-CB 4.46Å; F283-F740 AromaticContact CZ-CD2 3.82Å; F283-F740 HydrophobicContact CZ-CD2 3.82Å; F283-F740 HydrophobicContact CZ-CE2 4.09Å; F283-F740 HydrophobicContact CZ-CG 4Å; N725-F740 CarbonylContact C-O 3.44Å; N725-F740 WeakPolarHBondContact CA-O 3.5Å; T726-F740 PolarHBondContact N-O 3.06Å; T726-F740 PolarHBondContact O-N 3.28Å; F728-F740 AromaticContact CD2-CD2 3.64Å; F728-F740 HydrophobicContact CD2-CD2 3.64Å; F728-F740 AromaticContact CD2-CE2 3.53Å; F728-F740 HydrophobicContact CD2-CE2 3.53Å; F728-F740 AromaticContact CE2-CD2 3.34Å; F728-F740 HydrophobicContact CE2-CD2 3.34Å; F728-F740 AromaticContact CE2-CE2 3.44Å; F728-F740 HydrophobicContact CE2-CE2 3.44Å; F728-F740 VanDerWaalsContact CE2-CE2 3.44Å; F728-F740 HydrophobicContact CZ-CE2 4.49Å; S738-F740 VanDerWaalsContact CB-CE2 3.49Å; S738-F740 WeakPolarHBondContact OG-CE2 3.46Å |
| 741 | N | 78.5 | Confident | 67.4 | Low | 104 Ų | 104 | 65.9 Ų | 65.9 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.2 | -178.5 | -61.5 | -19.1 | 0 | 0 | 0 | 109.6 | L724 N725 | L724-N741 CarbonylContact O-C 3.55Å; L724-N741 VanDerWaalsContact O-CA 3.29Å; L724-N741 WeakPolarHBondContact O-CA 2.85Å; N725-N741 WeakPolarHBondContact CB-OD1 3.41Å; N725-N741 PolarHBondContact OD1-OD1 3.21Å |
| 742 | Q | 80.9 | Confident | 67 | Low | 39 Ų | 39 | 67.3 Ų | 67.3 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.3 | 172 | 179.7 | 173.2 | 0.9 | 0 | 0 | 109 | L724 | L724-Q742 HydrophobicContact CB-CB 4.31Å; L724-Q742 PolarHBondContact N-O 3.43Å; L724-Q742 PolarHBondContact O-N 3.04Å |
| 743 | V | 83.5 | Confident | 67.1 | Low | 68 Ų | 68 | 67 Ų | 67 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.4 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | A721 I722 | A721-V743 HydrophobicContact CB-CG1 3.51Å; I722-V743 WeakPolarHBondContact O-CA 3.28Å |
| 744 | I | 84.5 | Confident | 67.2 | Low | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 112.9 | 175.9 | -54.3 | 170.9 | 0 | 0 | 0 | 106.4 | I262 K264 I266 F277 A721 I722 L724 | I262-I744 HydrophobicContact CG2-CD1 3.42Å; I262-I744 VanDerWaalsContact CG2-CD1 3.42Å; I262-I744 HydrophobicContact CG2-CG1 3.93Å; K264-I744 CarbonylContact O-C 3.58Å; K264-I744 WeakPolarHBondContact O-CA 3.49Å; I266-I744 HydrophobicContact CB-CG2 4.48Å; I266-I744 HydrophobicContact CG1-CG2 4.31Å; I266-I744 HydrophobicContact CG2-CG2 3.67Å; F277-I744 HydrophobicContact CD2-CD1 3.52Å; F277-I744 HydrophobicContact CE2-CD1 3.43Å; F277-I744 VanDerWaalsContact CE2-CD1 3.43Å; A721-I744 CarbonylContact C-O 3.56Å; A721-I744 WeakPolarHBondContact CA-O 3.27Å; A721-I744 VanDerWaalsContact CB-O 3.24Å; A721-I744 WeakPolarHBondContact CB-O 3.37Å; I722-I744 HydrophobicContact CB-CB 4.22Å; I722-I744 HydrophobicContact CB-CD1 4.4Å; I722-I744 PolarHBondContact N-O 3.4Å; I722-I744 PolarHBondContact O-N 2.96Å; L724-I744 HydrophobicContact CD1-CD1 3.77Å; L724-I744 HydrophobicContact CD1-CG1 4.41Å; L724-I744 HydrophobicContact CG-CD1 4.22Å |
| 745 | L | 81.9 | Confident | 67.4 | Low | 53 Ų | 53 | 69.1 Ų | 69.1 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 140.3 | 176.9 | -64.4 | 175.1 | 0 | 0 | 0 | 110.2 | K264 E265 I266 A721 | K264-L745 PolarHBondContact O-N 3.2Å; E265-L745 CarbonylContact C-O 3.57Å; E265-L745 VanDerWaalsContact CA-O 3.3Å; E265-L745 WeakPolarHBondContact CA-O 3.39Å; E265-L745 HydrophobicContact CB-CB 4.2Å; E265-L745 HydrophobicContact CG-CB 4.04Å; I266-L745 PolarHBondContact N-O 2.69Å; A721-L745 HydrophobicContact CB-CD2 4.4Å |
| 746 | I | 81.3 | Confident | 68.2 | Low | 11 Ų | 11 | 61.6 Ų | 61.6 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.5 | 174.2 | -58.4 | 168.5 | 0 | 0 | 0 | 107.3 | I266 Y268 F704 P719 V720 I722 | I266-I746 HydrophobicContact CD1-CG1 3.95Å; I266-I746 HydrophobicContact CG1-CB 4.31Å; I266-I746 HydrophobicContact CG1-CG1 3.95Å; I266-I746 HydrophobicContact CG1-CG2 4.4Å; Y268-I746 HydrophobicContact CD1-CG2 4.2Å; F704-I746 HydrophobicContact CE1-CD1 4.32Å; F704-I746 HydrophobicContact CE1-CG2 3.98Å; F704-I746 HydrophobicContact CE2-CD1 3.89Å; F704-I746 HydrophobicContact CZ-CD1 3.78Å; F704-I746 HydrophobicContact CZ-CG2 4.18Å; P719-I746 HydrophobicContact CB-CD1 3.73Å; P719-I746 HydrophobicContact CG-CD1 4.45Å; V720-I746 PolarHBondContact O-N 3.03Å; I722-I746 HydrophobicContact CD1-CD1 4.48Å; I722-I746 HydrophobicContact CG1-CD1 3.79Å; I722-I746 HydrophobicContact CG1-CG1 4.16Å |
| 747 | S | 73.5 | Confident | 68.8 | Low | 12 Ų | 12 | 60.2 Ų | 60.2 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 111.1 | 179.5 | -73 | 0 | 0 | 0 | 0 | 109.9 | E265 I266 E267 Y268 L749 L934 | E265-S747 WeakPolarHBondContact OE1-CB 3Å; E265-S747 PolarHBondContact OE1-OG 3Å; I266-S747 PolarHBondContact O-N 2.74Å; E267-S747 WeakPolarHBondContact CA-O 3.15Å; Y268-S747 PolarHBondContact N-O 3.31Å; S747-L749 PolarHBondContact O-N 3.19Å; S747-L934 WeakPolarHBondContact OG-CD2 3.37Å |
| 748 | P | 69.6 | Low | 69.5 | Low | 83 Ų | 83 | 57.6 Ų | 57.6 | 54% | 0.539 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 124.9 | 174.4 | 28.2 | -32.1 | 0 | 0 | 0 | 110.3 | Y268 | Y268-P748 HydrophobicContact CD1-CB 4.2Å; Y268-P748 HydrophobicContact CE1-CB 3.78Å; Y268-P748 CarbonylContact O-C 3.47Å |
| 749 | L | 63.1 | Low | 69.4 | Low | 70 Ų | 70 | 56.9 Ų | 56.9 | 37% | 0.366 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 143.7 | 166.5 | -63.9 | 179.4 | 0 | 0 | 0 | 109.7 | E267 Y268 A270 S747 | E267-L749 HydrophobicContact CB-CD1 3.82Å; E267-L749 HydrophobicContact CB-CG 4.1Å; Y268-L749 PolarHBondContact O-N 2.88Å; A270-L749 PolarHBondContact N-O 3.15Å; S747-L749 PolarHBondContact O-N 3.19Å |
| 750 | P | 59.9 | Low | 69.5 | Low | 103 Ų | 103 | 55 Ų | 55 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 151.2 | 170.5 | 27.3 | -33.9 | 0 | 0 | 0 | 110.5 | T752 | P750-T752 PolarHBondContact O-N 3.44Š|
| 751 | P | 59.8 | Low | 69 | Low | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 137.1 | 177.3 | 26.7 | -32.4 | 0 | 0 | 0 | 110.1 | A270 L271 Q710 L756 | A270-P751 HydrophobicContact CB-CB 4.39Å; L271-P751 HydrophobicContact CD1-CB 4.28Å; Q710-P751 HydrophobicContact CB-CG 4.04Å; Q710-P751 HydrophobicContact CG-CG 3.59Å; P751-L756 HydrophobicContact CB-CD2 4.21Å; P751-L756 HydrophobicContact CB-CG 4.37Å; P751-L756 HydrophobicContact CG-CD2 4.41Å |
| 752 | T | 61.9 | Low | 67.9 | Low | 67 Ų | 67 | 52.3 Ų | 52.3 | 41% | 0.411 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 156.1 | 175.8 | 76.2 | 0 | 0 | 0 | 0 | 110.8 | P750 Q754 T755 L756 | P750-T752 PolarHBondContact O-N 3.44Å; T752-Q754 PolarHBondContact O-N 3.43Å; T752-T755 WeakPolarHBondContact O-CB 3.37Å; T752-T755 PolarHBondContact O-N 3.24Å; T752-T755 VanDerWaalsContact O-N 3.07Å; T752-T755 PolarHBondContact OG1-N 3.42Å; T752-T755 VanDerWaalsContact OG1-N 3.11Å; T752-T755 PolarHBondContact OG1-OG1 3.36Å; T752-L756 PolarHBondContact O-N 3.43Å; T752-L756 VanDerWaalsContact O-N 3.13Å |
| 753 | E | 62.2 | Low | 67 | Low | 127 Ų | 127 | 51.1 Ų | 51.1 | 59% | 0.593 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56 | -38.3 | 174.5 | -170.9 | -179.9 | -178.8 | 0 | 0 | 111.8 | Y419 L756 I757 | Y419-E753 HydrophobicContact CD2-CG 4.49Å; Y419-E753 HydrophobicContact CE2-CG 4.45Å; E753-L756 PolarHBondContact O-N 3.21Å; E753-I757 HydrophobicContact CG-CD1 4.03Å; E753-I757 VanDerWaalsContact O-CG1 3.26Å; E753-I757 WeakPolarHBondContact O-CG1 3.42Å; E753-I757 PolarHBondContact O-N 2.97Å |
| 754 | Q | 61.9 | Low | 65.6 | Low | 157 Ų | 157 | 48.9 Ų | 48.9 | 73% | 0.734 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 176.5 | -66.7 | 179.2 | 2.4 | 0 | 0 | 112.3 | T752 L756 I757 S758 | T752-Q754 PolarHBondContact O-N 3.43Å; Q754-L756 VanDerWaalsContact C-N 3.35Å; Q754-I757 PolarHBondContact O-N 2.93Å; Q754-S758 WeakPolarHBondContact O-CB 3.39Å; Q754-S758 PolarHBondContact O-N 3.31Å |
| 755 | T | 63 | Low | 63.8 | Low | 20 Ų | 20 | 53.4 Ų | 53.4 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 176.1 | -50.9 | 0 | 0 | 0 | 0 | 110 | L271 T752 S758 L759 | L271-T755 HydrophobicContact CB-CG2 3.89Å; T752-T755 WeakPolarHBondContact O-CB 3.37Å; T752-T755 PolarHBondContact O-N 3.24Å; T752-T755 VanDerWaalsContact O-N 3.07Å; T752-T755 PolarHBondContact OG1-N 3.42Å; T752-T755 VanDerWaalsContact OG1-N 3.11Å; T752-T755 PolarHBondContact OG1-OG1 3.36Å; T755-S758 WeakPolarHBondContact O-CB 3.46Å; T755-S758 PolarHBondContact O-N 2.89Å; T755-S758 VanDerWaalsContact O-N 3.15Å; T755-S758 PolarHBondContact O-OG 3.17Å; T755-L759 HydrophobicContact CG2-CD1 4.07Å; T755-L759 WeakPolarHBondContact O-CD1 3.2Å; T755-L759 PolarHBondContact O-N 3.34Å; T755-L759 VanDerWaalsContact O-N 3.15Å |
| 756 | L | 63 | Low | 62.1 | Low | 20 Ų | 20 | 52.6 Ų | 52.6 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 178.1 | -63.4 | 173.4 | 0 | 0 | 0 | 111.8 | L271 Y370 P751 T752 E753 Q754 S758 L759 D760 | L271-L756 HydrophobicContact CD1-CD2 4.15Å; Y370-L756 HydrophobicContact CD1-CD2 4.36Å; Y370-L756 HydrophobicContact CE1-CD2 3.86Å; Y370-L756 HydrophobicContact CE2-CD2 4.14Å; P751-L756 HydrophobicContact CB-CD2 4.21Å; P751-L756 HydrophobicContact CB-CG 4.37Å; P751-L756 HydrophobicContact CG-CD2 4.41Å; T752-L756 PolarHBondContact O-N 3.43Å; T752-L756 VanDerWaalsContact O-N 3.13Å; E753-L756 PolarHBondContact O-N 3.21Å; Q754-L756 VanDerWaalsContact C-N 3.35Å; L756-S758 VanDerWaalsContact C-N 3.28Å; L756-S758 PolarHBondContact O-N 2.79Å; L756-L759 PolarHBondContact O-N 3.29Å; L756-D760 PolarHBondContact O-N 3.45Å |
| 757 | I | 65.2 | Low | 60.5 | Low | 63 Ų | 63 | 55.1 Ų | 55.1 | 32% | 0.323 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.5 | -39 | 175 | -67.4 | 165.5 | 0 | 0 | 0 | 111.1 | Y419 E753 Q754 L759 D760 T761 | Y419-I757 HydrophobicContact CE2-CD1 4.38Å; Y419-I757 HydrophobicContact CE2-CG1 4.35Å; E753-I757 HydrophobicContact CG-CD1 4.03Å; E753-I757 VanDerWaalsContact O-CG1 3.26Å; E753-I757 WeakPolarHBondContact O-CG1 3.42Å; E753-I757 PolarHBondContact O-N 2.97Å; Q754-I757 PolarHBondContact O-N 2.93Å; I757-L759 PolarHBondContact O-N 2.97Å; I757-D760 PolarHBondContact O-N 3.32Å; I757-T761 HydrophobicContact CG2-CG2 4.11Å; I757-T761 VanDerWaalsContact O-CB 3.32Å; I757-T761 WeakPolarHBondContact O-CB 3.4Å; I757-T761 VanDerWaalsContact O-CG2 3.27Å; I757-T761 WeakPolarHBondContact O-CG2 3.25Å; I757-T761 PolarHBondContact O-N 2.04Å; I757-T761 PolarHBondContact O-OG1 3.08Å |
| 758 | S | 64.7 | Low | 58.7 | Low | 42 Ų | 42 | 61.3 Ų | 61.3 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | -179.9 | 82.7 | 0 | 0 | 0 | 0 | 113.1 | Q754 T755 L756 T761 W762 | Q754-S758 WeakPolarHBondContact O-CB 3.39Å; Q754-S758 PolarHBondContact O-N 3.31Å; T755-S758 WeakPolarHBondContact O-CB 3.46Å; T755-S758 PolarHBondContact O-N 2.89Å; T755-S758 VanDerWaalsContact O-N 3.15Å; T755-S758 PolarHBondContact O-OG 3.17Å; L756-S758 VanDerWaalsContact C-N 3.28Å; L756-S758 PolarHBondContact O-N 2.79Å; S758-T761 VanDerWaalsContact CA-OG1 3.28Å; S758-T761 WeakPolarHBondContact CA-OG1 3.31Å; S758-T761 PolarHBondContact O-OG1 3.49Å; S758-W762 VanDerWaalsContact O-CB 3.29Å; S758-W762 WeakPolarHBondContact O-CB 3.43Å; S758-W762 PolarHBondContact O-N 2.91Å |
| 759 | L | 63 | Low | 57.1 | Low | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.2 | -43.1 | 176.9 | -79.6 | 138.1 | 0 | 0 | 0 | 111.5 | L271 Y370 L373 A374 T755 L756 I757 T761 W762 N763 | L271-L759 HydrophobicContact CB-CD1 3.58Å; L271-L759 HydrophobicContact CD1-CD1 3.82Å; L271-L759 HydrophobicContact CD2-CD1 4.42Å; L271-L759 HydrophobicContact CG-CD1 4.13Å; Y370-L759 HydrophobicContact CD1-CB 4.49Å; L373-L759 HydrophobicContact CB-CD2 3.82Å; A374-L759 HydrophobicContact CB-CD2 4.32Å; T755-L759 HydrophobicContact CG2-CD1 4.07Å; T755-L759 WeakPolarHBondContact O-CD1 3.2Å; T755-L759 PolarHBondContact O-N 3.34Å; T755-L759 VanDerWaalsContact O-N 3.15Å; L756-L759 PolarHBondContact O-N 3.29Å; I757-L759 PolarHBondContact O-N 2.97Å; L759-T761 VanDerWaalsContact C-N 3.34Å; L759-T761 PolarHBondContact O-N 3Å; L759-W762 PolarHBondContact O-N 3.35Å; L759-N763 WeakPolarHBondContact O-CB 3.31Å; L759-N763 PolarHBondContact O-N 2.96Å |
| 760 | D | 63.5 | Low | 56 | Low | 51 Ų | 51 | 63.3 Ų | 63.3 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 174.8 | -85.1 | -14.3 | 0 | 0 | 0 | 111.7 | Y369 L756 I757 N763 S764 | Y369-D760 PolarHBondContact OH-OD1 3.14Å; L756-D760 PolarHBondContact O-N 3.45Å; I757-D760 PolarHBondContact O-N 3.32Å; D760-N763 PolarHBondContact O-N 3.49Å; D760-S764 VanDerWaalsContact O-CB 3.28Å; D760-S764 WeakPolarHBondContact O-CB 3.46Å; D760-S764 PolarHBondContact O-N 3.17Å; D760-S764 PolarHBondContact O-OG 3.34Å |
| 761 | T | 63.5 | Low | 54.7 | Low | 58 Ų | 58 | 66 Ų | 66 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 175 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | I757 S758 L759 S764 N765 | I757-T761 HydrophobicContact CG2-CG2 4.11Å; I757-T761 VanDerWaalsContact O-CB 3.32Å; I757-T761 WeakPolarHBondContact O-CB 3.4Å; I757-T761 VanDerWaalsContact O-CG2 3.27Å; I757-T761 WeakPolarHBondContact O-CG2 3.25Å; I757-T761 PolarHBondContact O-N 2.04Å; I757-T761 PolarHBondContact O-OG1 3.08Å; S758-T761 VanDerWaalsContact CA-OG1 3.28Å; S758-T761 WeakPolarHBondContact CA-OG1 3.31Å; S758-T761 PolarHBondContact O-OG1 3.49Å; L759-T761 VanDerWaalsContact C-N 3.34Å; L759-T761 PolarHBondContact O-N 3Å; T761-S764 VanDerWaalsContact CA-OG 3.27Å; T761-S764 WeakPolarHBondContact CA-OG 3.44Å; T761-S764 CarbonylContact O-C 3.49Å; T761-S764 PolarHBondContact O-N 3.12Å; T761-S764 VanDerWaalsContact O-N 3.17Å; T761-S764 PolarHBondContact O-OG 3.37Å; T761-N765 WeakPolarHBondContact O-CB 3.41Å; T761-N765 PolarHBondContact O-N 2.62Å; T761-N765 PolarHBondContact O-ND2 2.98Å |
| 762 | W | 57 | Low | 53.1 | Low | 35 Ų | 35 | 71.1 Ų | 71.1 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60 | -47.9 | 173.7 | -175.4 | 81.9 | 0 | 0 | 0 | 111.8 | L373 R376 K377 S758 L759 S764 N765 I766 | L373-W762 HydrophobicContact CD2-CE3 4.28Å; L373-W762 HydrophobicContact CD2-CZ3 3.95Å; R376-W762 HydrophobicContact CB-CH2 3.54Å; R376-W762 HydrophobicContact CB-CZ3 4.03Å; K377-W762 VanDerWaalsContact CA-CZ2 3.48Å; K377-W762 HydrophobicContact CB-CD2 4.11Å; K377-W762 HydrophobicContact CB-CE3 4.29Å; K377-W762 HydrophobicContact CB-CH2 4.22Å; K377-W762 HydrophobicContact CB-CZ2 4Å; K377-W762 HydrophobicContact CB-CZ3 4.35Å; K377-W762 HydrophobicContact CG-CD2 4.29Å; K377-W762 HydrophobicContact CG-CG 4.44Å; S758-W762 VanDerWaalsContact O-CB 3.29Å; S758-W762 WeakPolarHBondContact O-CB 3.43Å; S758-W762 PolarHBondContact O-N 2.91Å; L759-W762 PolarHBondContact O-N 3.35Å; W762-S764 VanDerWaalsContact C-N 3.29Å; W762-S764 PolarHBondContact O-N 3.43Å; W762-N765 PolarHBondContact O-N 2.73Å; W762-N765 VanDerWaalsContact O-N 3.1Å; W762-I766 HydrophobicContact CD2-CD1 3.8Å; W762-I766 HydrophobicContact CE3-CD1 3.61Å; W762-I766 HydrophobicContact CH2-CD1 3.37Å; W762-I766 HydrophobicContact CZ2-CD1 3.59Å; W762-I766 HydrophobicContact CZ3-CD1 3.4Å; W762-I766 WeakPolarHBondContact O-CG1 3.47Å; W762-I766 PolarHBondContact O-N 2.82Å |
| 763 | N | 60.3 | Low | 51.5 | Low | 13 Ų | 13 | 74.9 Ų | 74.9 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 173.2 | -166.6 | 3.9 | 0 | 0 | 0 | 111.1 | Y369 L373 L759 D760 N765 I766 R767 | Y369-N763 PolarHBondContact OH-ND2 2.81Å; L373-N763 HydrophobicContact CD1-CB 4.35Å; L373-N763 HydrophobicContact CD2-CB 4.22Å; L759-N763 WeakPolarHBondContact O-CB 3.31Å; L759-N763 PolarHBondContact O-N 2.96Å; D760-N763 PolarHBondContact O-N 3.49Å; N763-N765 VanDerWaalsContact C-N 3.32Å; N763-N765 PolarHBondContact O-N 2.82Å; N763-I766 PolarHBondContact O-N 3.25Å; N763-R767 VanDerWaalsContact O-CG 3.28Å; N763-R767 WeakPolarHBondContact O-CG 3.34Å; N763-R767 PolarHBondContact O-N 3.03Å; N763-R767 PolarHBondContact OD1-NE 2.86Å |
| 764 | S | 54.1 | Low | 50 | Low | 21 Ų | 21 | 77.2 Ų | 77.2 | 15% | 0.147 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.2 | -28.3 | 176.4 | 80.3 | 0 | 0 | 0 | 0 | 113.5 | D760 T761 W762 R767 R768 | D760-S764 VanDerWaalsContact O-CB 3.28Å; D760-S764 WeakPolarHBondContact O-CB 3.46Å; D760-S764 PolarHBondContact O-N 3.17Å; D760-S764 PolarHBondContact O-OG 3.34Å; T761-S764 VanDerWaalsContact CA-OG 3.27Å; T761-S764 WeakPolarHBondContact CA-OG 3.44Å; T761-S764 CarbonylContact O-C 3.49Å; T761-S764 PolarHBondContact O-N 3.12Å; T761-S764 VanDerWaalsContact O-N 3.17Å; T761-S764 PolarHBondContact O-OG 3.37Å; W762-S764 VanDerWaalsContact C-N 3.29Å; W762-S764 PolarHBondContact O-N 3.43Å; S764-R767 CarbonylContact O-C 3.52Å; S764-R767 WeakPolarHBondContact O-CA 3.5Å; S764-R767 WeakPolarHBondContact O-CB 3.45Å; S764-R767 PolarHBondContact O-N 2.91Å; S764-R768 WeakPolarHBondContact O-CA 3.28Å; S764-R768 WeakPolarHBondContact O-CB 3.48Å; S764-R768 VanDerWaalsContact O-CG 3.27Å; S764-R768 WeakPolarHBondContact O-CG 3.39Å; S764-R768 PolarHBondContact O-N 2.78Å; S764-R768 PolarHBondContact OG-NH1 2.79Å |
| 765 | N | 47.3 | Very low | 48.3 | Very low | 96 Ų | 96 | 80.4 Ų | 80.4 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -76.1 | -37.8 | 176.7 | -72.1 | -19.2 | 0 | 0 | 0 | 111 | T761 W762 N763 R767 R768 | T761-N765 WeakPolarHBondContact O-CB 3.41Å; T761-N765 PolarHBondContact O-N 2.62Å; T761-N765 PolarHBondContact O-ND2 2.98Å; W762-N765 PolarHBondContact O-N 2.73Å; W762-N765 VanDerWaalsContact O-N 3.1Å; N763-N765 VanDerWaalsContact C-N 3.32Å; N763-N765 PolarHBondContact O-N 2.82Å; N765-R767 PolarHBondContact O-N 3.34Å; N765-R768 PolarHBondContact O-N 3.28Å; N765-R768 VanDerWaalsContact O-N 3.12Å |
| 766 | I | 47.3 | Very low | 46.6 | Very low | 36 Ų | 36 | 88.8 Ų | 88.8 | 19% | 0.185 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.7 | -32.5 | 164.5 | -63.5 | 167.7 | 0 | 0 | 0 | 110.3 | I387 W762 N763 | I387-I766 WeakPolarHBondContact O-CG2 3.09Å; W762-I766 HydrophobicContact CD2-CD1 3.8Å; W762-I766 HydrophobicContact CE3-CD1 3.61Å; W762-I766 HydrophobicContact CH2-CD1 3.37Å; W762-I766 HydrophobicContact CZ2-CD1 3.59Å; W762-I766 HydrophobicContact CZ3-CD1 3.4Å; W762-I766 WeakPolarHBondContact O-CG1 3.47Å; W762-I766 PolarHBondContact O-N 2.82Å; N763-I766 PolarHBondContact O-N 3.25Å |
| 767 | R | 47.7 | Very low | 44.8 | Very low | 64 Ų | 64 | 96.6 Ų | 96.6 | 24% | 0.242 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -81.6 | -27.4 | 173.4 | -64.4 | 169.3 | -169.7 | -132.3 | -5.2 | 114.8 | D393 N763 S764 N765 R770 | D393-R767 VanDerWaalsContact CG-NH1 3.35Å; D393-R767 VanDerWaalsContact CG-NH2 3.31Å; D393-R767 IonicContact OD1-CZ 2.87Å; D393-R767 IonicContact OD1-NH1 3.92Å; D393-R767 IonicContact OD1-NH2 2.85Å; D393-R767 PolarHBondContact OD1-NH2 3.23Å; D393-R767 IonicContact OD2-CZ 3.32Å; D393-R767 IonicContact OD2-NH1 2.88Å; D393-R767 PolarHBondContact OD2-NH1 3.11Å; D393-R767 IonicContact OD2-NH2 3.37Å; D393-R767 PolarHBondContact OD2-NH2 2.9Å; N763-R767 VanDerWaalsContact O-CG 3.28Å; N763-R767 WeakPolarHBondContact O-CG 3.34Å; N763-R767 PolarHBondContact O-N 3.03Å; N763-R767 PolarHBondContact OD1-NE 2.86Å; S764-R767 CarbonylContact O-C 3.52Å; S764-R767 WeakPolarHBondContact O-CA 3.5Å; S764-R767 WeakPolarHBondContact O-CB 3.45Å; S764-R767 PolarHBondContact O-N 2.91Å; N765-R767 PolarHBondContact O-N 3.34Å; R767-R770 WeakPolarHBondContact O-CB 3.48Å; R767-R770 VanDerWaalsContact O-CD 3.28Å; R767-R770 WeakPolarHBondContact O-CD 3.45Å; R767-R770 WeakPolarHBondContact O-CG 3.4Å; R767-R770 PolarHBondContact O-N 2.75Å; R767-R770 PolarHBondContact O-NE 2.79Å |
| 768 | R | 35.8 | Very low | 42.9 | Very low | 141 Ų | 141 | 96.6 Ų | 96.6 | 53% | 0.532 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -87.7 | -15.9 | -164.1 | -91.2 | -169.3 | -164.8 | 104.7 | 7.4 | 115.5 | S764 N765 R770 Y771 | S764-R768 WeakPolarHBondContact O-CA 3.28Å; S764-R768 WeakPolarHBondContact O-CB 3.48Å; S764-R768 VanDerWaalsContact O-CG 3.27Å; S764-R768 WeakPolarHBondContact O-CG 3.39Å; S764-R768 PolarHBondContact O-N 2.78Å; S764-R768 PolarHBondContact OG-NH1 2.79Å; N765-R768 PolarHBondContact O-N 3.28Å; N765-R768 VanDerWaalsContact O-N 3.12Å; R768-R770 PolarHBondContact O-N 2.95Å; R768-Y771 PolarHBondContact O-N 2.79Å; R768-Y771 VanDerWaalsContact O-N 3.13Å |
| 769 | D | 35.8 | Very low | 40.9 | Very low | 87 Ų | 87 | 103 Ų | 103 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -11.6 | 165.8 | -103.6 | -10.6 | 0 | 0 | 0 | 112.3 | S385 | S385-D769 VanDerWaalsContact CB-OD2 3.31Å; S385-D769 WeakPolarHBondContact CB-OD2 3.31Å; S385-D769 PolarHBondContact OG-OD2 2.78Å |
| 770 | R | 39.3 | Very low | 39.1 | Very low | 108 Ų | 108 | 111.2 Ų | 111.2 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -23.4 | 174.7 | -59.7 | 177.7 | -149.2 | 174.9 | 3.6 | 115.2 | R767 R768 | R767-R770 WeakPolarHBondContact O-CB 3.48Å; R767-R770 VanDerWaalsContact O-CD 3.28Å; R767-R770 WeakPolarHBondContact O-CD 3.45Å; R767-R770 WeakPolarHBondContact O-CG 3.4Å; R767-R770 PolarHBondContact O-N 2.75Å; R767-R770 PolarHBondContact O-NE 2.79Å; R768-R770 PolarHBondContact O-N 2.95Å |
| 771 | Y | 31.6 | Very low | 37.4 | Very low | 159 Ų | 159 | 115.3 Ų | 115.3 | 62% | 0.624 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -92.6 | -13.8 | -171.9 | -78 | -80.5 | 0 | 0 | 0 | 114.6 | R768 H773 K774 | R768-Y771 PolarHBondContact O-N 2.79Å; R768-Y771 VanDerWaalsContact O-N 3.13Å; Y771-H773 PolarHBondContact O-N 2.9Å; Y771-K774 PolarHBondContact O-N 3.14Å |
| 772 | L | 28.1 | Very low | 35.4 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 67% | 0.67 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -69.4 | -15.6 | 175 | -79.4 | 166.6 | 0 | 0 | 0 | 113.1 | ||
| 773 | H | 27.9 | Very low | 34.3 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 67% | 0.671 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -81.8 | -10 | 173.6 | -81 | -59.3 | 0 | 0 | 0 | 115.1 | Y771 R775 | Y771-H773 PolarHBondContact O-N 2.9Å; H773-R775 PolarHBondContact O-N 3.46Å |
| 774 | K | 30 | Very low | 32.5 | Very low | 176 Ų | 176 | 130 Ų | 130 | 77% | 0.765 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -76.6 | -4.1 | 172.9 | -91.2 | -172.3 | 177.5 | -178.8 | 0 | 114.2 | Y771 | Y771-K774 PolarHBondContact O-N 3.14Š|
| 775 | R | 27.4 | Very low | 31.1 | Very low | 224 Ų | 224 | 137.9 Ų | 137.9 | 85% | 0.845 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -93.7 | -2.4 | 176.7 | -127.6 | 177 | -165.7 | 156.9 | 3.5 | 115 | H773 | H773-R775 PolarHBondContact O-N 3.46Š|
| 776 | Y | 25.4 | Very low | 29.8 | Very low | 197 Ų | 197 | 140.5 Ų | 140.5 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -127.4 | 55.3 | 177.9 | -80.7 | -80.1 | 0 | 0 | 0 | 112.2 | ||
| 777 | H | 26.9 | Very low | 28.6 | Very low | 184 Ų | 184 | 150 Ų | 150 | 85% | 0.852 | 71% | 0.707 | S | S | * | * | trans | -140.8 | 78.7 | 151.7 | -78.6 | -64.7 | 0 | 0 | 0 | 107.9 | ||||
| 778 | G | 24.3 | Very low | 27.4 | Very low | 62 Ų | 62 | 155.6 Ų | 155.6 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | trans | -84.4 | 149.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 779 | H | 23.7 | Very low | 26.6 | Very low | 177 Ų | 177 | 157.4 Ų | 157.4 | 82% | 0.819 | 75% | 0.75 | S | S | * | * | trans | 71.8 | 101.3 | 161.7 | -58.9 | -58.3 | 0 | 0 | 0 | 118 | ||||
| 780 | H | 24.6 | Very low | 26 | Very low | 173 Ų | 173 | 158.9 Ų | 158.9 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | -178.5 | 143.7 | 100.1 | -102 | -76.9 | 0 | 0 | 0 | 112.7 | |||||
| 781 | N | 26.5 | Very low | 25.1 | Very low | 138 Ų | 138 | 160.3 Ų | 160.3 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 92.9 | 84.2 | 159.2 | -57.6 | -11.3 | 0 | 0 | 0 | 120 | ||||
| 782 | Q | 22.7 | Very low | 24.7 | Very low | 185 Ų | 185 | 158.9 Ų | 158.9 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | 41.3 | 158.5 | 108.2 | -105.3 | -175.5 | -6 | 0 | 0 | 121.9 | |||||
| 783 | P | 32.8 | Very low | 24.5 | Very low | 120 Ų | 120 | 161.3 Ų | 161.3 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | -124.4 | 159.1 | -101.2 | 38.7 | -22.5 | 0 | 0 | 0 | 114.4 | |||||
| 784 | S | 24 | Very low | 24.1 | Very low | 110 Ų | 110 | 163.4 Ų | 163.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -141.1 | 117 | 166.1 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 785 | H | 24.1 | Very low | 23.8 | Very low | 185 Ų | 185 | 161 Ų | 161 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | 62.3 | 117.4 | 151.6 | -79 | -67.8 | 0 | 0 | 0 | 122.5 | ||||
| 786 | D | 18.9 | Very low | 23.5 | Very low | 151 Ų | 151 | 154.6 Ų | 154.6 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -43.2 | 121.9 | 161.8 | -64.9 | -58.9 | 0 | 0 | 0 | 114.1 | ||||
| 787 | Y | 23.2 | Very low | 23.3 | Very low | 236 Ų | 236 | 150.5 Ų | 150.5 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -127 | 135.9 | 140.1 | -108.4 | -88.4 | 0 | 0 | 0 | 108.7 | ||||
| 788 | Q | 21.7 | Very low | 23.1 | Very low | 182 Ų | 182 | 148 Ų | 148 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -61.7 | 145.8 | -162.3 | -69.6 | 171.5 | -37.8 | 0 | 0 | 114.8 | S790 | Q788-S790 PolarHBondContact O-N 2.88Š| ||
| 789 | Q | 19.7 | Very low | 23.1 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -46.6 | 123.5 | 166.2 | -72.3 | 167.2 | -26.3 | 0 | 0 | 112.6 | ||||
| 790 | S | 23.9 | Very low | 23.1 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -122.5 | 102.7 | 143.3 | 49.4 | 0 | 0 | 0 | 0 | 107.6 | Q788 | Q788-S790 PolarHBondContact O-N 2.88Š| ||
| 791 | N | 19.8 | Very low | 23 | Very low | 138 Ų | 138 | 155.9 Ų | 155.9 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | trans | -62.7 | 130.7 | 163.8 | -70.8 | -36.9 | 0 | 0 | 0 | 108 | ||||
| 792 | V | 23.7 | Very low | 22.9 | Very low | 130 Ų | 130 | 159.2 Ų | 159.2 | 79% | 0.788 | 83% | 0.826 | S | S | * | * | -172.5 | 114.4 | 126.4 | 167.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 793 | H | 23.5 | Very low | 23 | Very low | 178 Ų | 178 | 155.8 Ų | 155.8 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | trans | 46.7 | 105.5 | 153.3 | -65.6 | -22.1 | 0 | 0 | 0 | 122.3 | ||||
| 794 | Q | 20.1 | Very low | 22.7 | Very low | 189 Ų | 189 | 158 Ų | 158 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 128.7 | 144 | -68.9 | 167.8 | -25.5 | 0 | 0 | 111 | ||
| 795 | P | 22.7 | Very low | 22.6 | Very low | 126 Ų | 126 | 160.2 Ų | 160.2 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 120.7 | 162 | 13.2 | 1.6 | 0 | 0 | 0 | 109.2 | ||
| 796 | A | 21.9 | Very low | 22.7 | Very low | 89 Ų | 89 | 160.5 Ų | 160.5 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 139.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T798 | A796-T798 PolarHBondContact O-N 3.41Š|
| 797 | S | 20.4 | Very low | 23 | Very low | 112 Ų | 112 | 158.7 Ų | 158.7 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 127.1 | 160.6 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 798 | T | 22.5 | Very low | 22.9 | Very low | 130 Ų | 130 | 156.4 Ų | 156.4 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | trans | -158.9 | 131.1 | 145.3 | 33.6 | 0 | 0 | 0 | 0 | 110.5 | A796 | A796-T798 PolarHBondContact O-N 3.41Š| ||
| 799 | H | 23.6 | Very low | 23.1 | Very low | 184 Ų | 184 | 155 Ų | 155 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | -20.3 | 126.8 | 168 | -66.2 | -87.7 | 0 | 0 | 0 | 116.7 | ||||
| 800 | R | 25.4 | Very low | 23.3 | Very low | 247 Ų | 247 | 155.6 Ų | 155.6 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | trans | -129.7 | 81.1 | 156.5 | -80.9 | -171.1 | 176.7 | -178.7 | 1.3 | 109.1 | ||||
| 801 | D | 21.8 | Very low | 23.3 | Very low | 148 Ų | 148 | 157.1 Ų | 157.1 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -104.5 | 143.9 | 150.3 | -86.3 | -41.3 | 0 | 0 | 0 | 108.1 | ||||
| 802 | K | 24.3 | Very low | 23.6 | Very low | 207 Ų | 207 | 155.3 Ų | 155.3 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | trans | 91.3 | 93.8 | 177.1 | -54 | -178.3 | -179.7 | -176.8 | 0 | 116.5 | ||||
| 803 | S | 24.7 | Very low | 23.7 | Very low | 113 Ų | 113 | 156 Ų | 156 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | -171.4 | 110.6 | 121.3 | 67 | 0 | 0 | 0 | 0 | 111 | |||||
| 804 | I | 25.9 | Very low | 24 | Very low | 168 Ų | 168 | 151.9 Ų | 151.9 | 86% | 0.862 | 81% | 0.813 | S | S | * | * | trans | -148.9 | 90.1 | 139.6 | -54.5 | -175.9 | 0 | 0 | 0 | 106.7 | ||||
| 805 | H | 23.7 | Very low | 24.5 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -148.3 | 141.3 | 157.6 | -104.6 | -64.6 | 0 | 0 | 0 | 107.9 | ||||
| 806 | Q | 24.8 | Very low | 25.1 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | 99 | 98.4 | 171.4 | -61.3 | -180 | -23.1 | 0 | 0 | 117.5 | ||||
| 807 | S | 24.8 | Very low | 26.1 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | -152.6 | 99.9 | 126.6 | 59.3 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 808 | F | 22.6 | Very low | 27.5 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | trans | -138.6 | 96.9 | 161.4 | -90.1 | -76 | 0 | 0 | 0 | 106.8 | ||||
| 809 | D | 24.6 | Very low | 29.6 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -88.6 | 128.6 | 158.7 | -77.3 | -36.1 | 0 | 0 | 0 | 108 | ||||
| 810 | E | 23.6 | Very low | 32.1 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 89% | 0.893 | 67% | 0.668 | S | S | * | * | trans | 44.5 | 76.9 | 154.1 | -63.9 | -176.4 | 158.5 | 0 | 0 | 118 | ||||
| 811 | I | 24.9 | Very low | 34.5 | Very low | 149 Ų | 149 | 117.5 Ų | 117.5 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | trans | -120.8 | 114.8 | 145.3 | -60.6 | 177.5 | 0 | 0 | 0 | 107.9 | ||||
| 812 | S | 25.4 | Very low | 37.3 | Very low | 99 Ų | 99 | 110.5 Ų | 110.5 | 69% | 0.692 | 60% | 0.599 | S | S | * | * | trans | -9.5 | 122.6 | 161.9 | 178.4 | 0 | 0 | 0 | 0 | 115.1 | S814 | S812-S814 PolarHBondContact O-N 3.23Š| ||
| 813 | T | 26.6 | Very low | 39.6 | Very low | 144 Ų | 144 | 102.9 Ų | 102.9 | 88% | 0.883 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -26.2 | 96.1 | 166.6 | 52.6 | 0 | 0 | 0 | 0 | 114 | ||
| 814 | S | 29.4 | Very low | 41.7 | Very low | 92 Ų | 92 | 98.2 Ų | 98.2 | 64% | 0.643 | 53% | 0.532 | S | S | * | . | trans | -145 | 125.9 | 155.7 | 65.6 | 0 | 0 | 0 | 0 | 107.5 | S812 | S812-S814 PolarHBondContact O-N 3.23Š| ||
| 815 | L | 31.5 | Very low | 43.6 | Very low | 116 Ų | 116 | 92.2 Ų | 92.2 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | trans | -54.3 | 151.6 | -179.1 | -84.1 | 94.7 | 0 | 0 | 0 | 111.4 | V817 | L815-V817 WeakPolarHBondContact O-CG2 3.48Å; L815-V817 PolarHBondContact O-N 2.84Å; L815-V817 VanDerWaalsContact O-N 3.16Å | ||
| 816 | P | 33.8 | Very low | 45.2 | Very low | 59 Ų | 59 | 88 Ų | 88 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | trans | -73.6 | 114.6 | -172.1 | 36 | -38.4 | 0 | 0 | 0 | 109 | P862 | P816-P862 HydrophobicContact CB-CB 3.76Å; P816-P862 HydrophobicContact CB-CG 3.59Å; P816-P862 HydrophobicContact CG-CB 4.37Å; P816-P862 HydrophobicContact CG-CG 4.3Å | ||
| 817 | V | 43.6 | Very low | 46 | Very low | 55 Ų | 55 | 84.7 Ų | 84.7 | 33% | 0.333 | 47% | 0.473 | S | S | . | . | trans | -84.1 | 126 | -167.1 | -174 | 0 | 0 | 0 | 0 | 110.4 | L815 S819 | L815-V817 WeakPolarHBondContact O-CG2 3.48Å; L815-V817 PolarHBondContact O-N 2.84Å; L815-V817 VanDerWaalsContact O-N 3.16Å; V817-S819 PolarHBondContact O-N 3.36Å | ||
| 818 | N | 50.4 | Low | 46.7 | Very low | 33 Ų | 33 | 86.3 Ų | 86.3 | 18% | 0.176 | 46% | 0.463 | C | S | . | . | trans | -56.8 | 122.1 | 165.9 | -69.3 | -16.2 | 0 | 0 | 0 | 109.3 | W859 I967 | N818-W859 HydrophobicContact CB-CE3 4.23Å; N818-W859 HydrophobicContact CB-CZ3 4.39Å; N818-I967 HydrophobicContact CB-CD1 4.34Å | ||
| 819 | S | 65.6 | Low | 47.5 | Very low | 44 Ų | 44 | 85.5 Ų | 85.5 | 31% | 0.308 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.9 | 179 | 66.1 | 0 | 0 | 0 | 0 | 111.1 | V817 K860 | V817-S819 PolarHBondContact O-N 3.36Å; S819-K860 PolarHBondContact N-O 2.87Å; S819-K860 VanDerWaalsContact N-O 3.14Å; S819-K860 PolarHBondContact O-N 3.13Å |
| 820 | L | 77.1 | Confident | 48 | Very low | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.016 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 129.7 | 169.9 | -173.8 | 65.2 | 0 | 0 | 0 | 109.2 | I857 W859 I879 C963 A965 V980 S982 | L820-I857 HydrophobicContact CD1-CG2 3.5Å; L820-I857 VanDerWaalsContact CD1-CG2 3.5Å; L820-I857 HydrophobicContact CG-CG2 4.23Å; L820-W859 HydrophobicContact CB-CE3 4.25Å; L820-W859 HydrophobicContact CB-CH2 4.24Å; L820-W859 HydrophobicContact CB-CZ3 4.03Å; L820-W859 HydrophobicContact CD1-CD2 4.03Å; L820-W859 HydrophobicContact CD1-CE3 4.43Å; L820-W859 HydrophobicContact CD1-CH2 4.38Å; L820-W859 HydrophobicContact CD1-CZ2 3.96Å; L820-I879 HydrophobicContact CD1-CD1 4.38Å; L820-I879 HydrophobicContact CD1-CG1 4.46Å; L820-I879 HydrophobicContact CD2-CG1 4.38Å; L820-C963 HydrophobicContact CD2-CB 3.87Å; L820-A965 HydrophobicContact CD2-CB 3.93Å; L820-V980 HydrophobicContact CB-CG1 4.07Å; L820-S982 VanDerWaalsContact O-CA 3.25Å; L820-S982 WeakPolarHBondContact O-CA 3.47Å |
| 821 | V | 76.1 | Confident | 48.8 | Very low | 45 Ų | 45 | 78.9 Ų | 78.9 | 27% | 0.273 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.8 | -177.8 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | I857 M858 K860 N983 | V821-I857 WeakPolarHBondContact O-CA 3.47Å; V821-M858 PolarHBondContact N-O 2.79Å; V821-M858 PolarHBondContact O-N 2.9Å; V821-K860 HydrophobicContact CG2-CB 4.22Å; V821-N983 VanDerWaalsContact CA-OD1 3.3Å; V821-N983 WeakPolarHBondContact CA-OD1 3.43Å |
| 822 | L | 79.2 | Confident | 49.8 | Very low | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 145.1 | 166.5 | -56.8 | 94.9 | 0 | 0 | 0 | 110.2 | I855 T856 I857 V961 C963 S982 N983 I985 | L822-I855 HydrophobicContact CD2-CD1 3.61Å; L822-I855 HydrophobicContact CD2-CG1 4.08Å; L822-T856 CarbonylContact C-O 3.49Å; L822-T856 VanDerWaalsContact CA-O 3.28Å; L822-T856 WeakPolarHBondContact CA-O 3.15Å; L822-I857 HydrophobicContact CD2-CG1 4.06Å; L822-I857 HydrophobicContact CG-CG1 4.2Å; L822-V961 HydrophobicContact CD2-CG1 4.4Å; L822-V961 HydrophobicContact CD2-CG2 4.48Å; L822-C963 HydrophobicContact CD1-CB 4.37Å; L822-S982 WeakPolarHBondContact CD1-OG 3.48Å; L822-N983 WeakPolarHBondContact CD1-O 3.25Å; L822-N983 PolarHBondContact N-OD1 2.92Å; L822-N983 PolarHBondContact O-ND2 3.45Å; L822-N983 PolarHBondContact O-OD1 2.81Å; L822-I985 HydrophobicContact CB-CD1 3.42Å; L822-I985 VanDerWaalsContact CB-CD1 3.42Å; L822-I985 HydrophobicContact CB-CG1 3.93Å |
| 823 | F | 74.3 | Confident | 51 | Low | 47 Ų | 47 | 77.9 Ų | 77.9 | 21% | 0.206 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 163 | 164.7 | 58.2 | -83 | 0 | 0 | 0 | 111.4 | T856 M858 I985 | F823-T856 HydrophobicContact CE1-CG2 3.7Å; F823-T856 HydrophobicContact CE2-CG2 3.9Å; F823-T856 VanDerWaalsContact CZ-CB 3.4Å; F823-T856 HydrophobicContact CZ-CG2 3.27Å; F823-T856 PolarHBondContact N-O 2.89Å; F823-T856 PolarHBondContact O-N 3.36Å; F823-M858 HydrophobicContact CE1-CB 4.24Å; F823-M858 HydrophobicContact CE1-CG 3.73Å; F823-M858 HydrophobicContact CE1-SD 3.48Å; F823-M858 WeakPolarHBondContact CE1-SD 3.37Å; F823-M858 HydrophobicContact CZ-CG 4.26Å; F823-M858 HydrophobicContact CZ-SD 3.67Å; F823-I985 VanDerWaalsContact C-CD1 3.44Å; F823-I985 VanDerWaalsContact CA-CD1 3.43Å |
| 824 | N | 68.3 | Low | 52.6 | Low | 16 Ų | 16 | 74.2 Ų | 74.2 | 9% | 0.086 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.5 | 174.1 | -173.4 | -20.6 | 0 | 0 | 0 | 109.5 | E826 T836 Y854 | N824-E826 PolarHBondContact ND2-OE2 2.62Å; N824-E826 VanDerWaalsContact ND2-OE2 3.08Å; N824-E826 PolarHBondContact OD1-N 3.07Å; N824-E826 VanDerWaalsContact OD1-N 3.07Å; N824-T836 HydrophobicContact CB-CG2 4.23Å; N824-T836 WeakPolarHBondContact ND2-CG2 3.45Å; N824-T836 PolarHBondContact ND2-OG1 3.02Å; N824-Y854 WeakPolarHBondContact OD1-CB 3.4Å |
| 825 | A | 64.6 | Low | 54.7 | Low | 42 Ų | 42 | 73.6 Ų | 73.6 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -2.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q827 Y854 | A825-Q827 VanDerWaalsContact C-N 3.26Å; A825-Q827 PolarHBondContact O-N 3.44Å; A825-Q827 VanDerWaalsContact O-N 3.1Å; A825-Y854 PolarHBondContact N-O 2.79Å |
| 826 | E | 57.3 | Low | 56.9 | Low | 67 Ų | 67 | 68.9 Ų | 68.9 | 31% | 0.313 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.5 | -173.9 | -87 | 177.1 | 130.8 | 0 | 0 | 116 | N824 T836 R838 Y854 | N824-E826 PolarHBondContact ND2-OE2 2.62Å; N824-E826 VanDerWaalsContact ND2-OE2 3.08Å; N824-E826 PolarHBondContact OD1-N 3.07Å; N824-E826 VanDerWaalsContact OD1-N 3.07Å; E826-T836 WeakPolarHBondContact OE2-CG2 3.33Å; E826-R838 IonicContact OE1-CZ 2.81Å; E826-R838 IonicContact OE1-NE 3.68Å; E826-R838 PolarHBondContact OE1-NE 3.07Å; E826-R838 IonicContact OE1-NH2 2.8Å; E826-R838 PolarHBondContact OE1-NH2 3.4Å; E826-R838 IonicContact OE2-CZ 3.57Å; E826-R838 IonicContact OE2-NE 3.63Å; E826-R838 IonicContact OE2-NH2 3.76Å; E826-R838 PolarHBondContact OE2-NH2 2.69Å; E826-Y854 HydrophobicContact CB-CD2 4.5Å; E826-Y854 HydrophobicContact CG-CD2 3.07Å; E826-Y854 HydrophobicContact CG-CE2 3.48Å; E826-Y854 VanDerWaalsContact CG-CE2 3.48Å; E826-Y854 HydrophobicContact CG-CG 3.64Å; E826-Y854 WeakPolarHBondContact OE1-CD2 3.27Å; E826-Y854 WeakPolarHBondContact OE1-CE2 3.42Å |
| 827 | Q | 42.8 | Very low | 59 | Low | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | trans | -146.6 | 96.5 | -177 | -69.3 | -174.8 | -15.6 | 0 | 0 | 111.6 | A825 E829 H830 | A825-Q827 VanDerWaalsContact C-N 3.26Å; A825-Q827 PolarHBondContact O-N 3.44Å; A825-Q827 VanDerWaalsContact O-N 3.1Å; Q827-E829 PolarHBondContact O-N 3.05Å; Q827-E829 VanDerWaalsContact O-N 3.09Å; Q827-H830 PolarHBondContact O-N 2.77Å | ||
| 828 | Y | 39.2 | Very low | 60.9 | Low | 147 Ų | 147 | 68.5 Ų | 68.5 | 58% | 0.576 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -61.6 | -17.4 | -174 | -123.5 | -86.8 | 0 | 0 | 0 | 115.5 | H830 V831 | Y828-H830 PolarHBondContact O-N 3.31Å; Y828-V831 HydrophobicContact CD1-CG2 4.49Å |
| 829 | E | 38.6 | Very low | 62.4 | Low | 171 Ų | 171 | 71.9 Ų | 71.9 | 80% | 0.799 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -63.2 | -16.7 | -179.2 | -75.8 | -167.2 | 153.8 | 0 | 0 | 113.5 | Q827 | Q827-E829 PolarHBondContact O-N 3.05Å; Q827-E829 VanDerWaalsContact O-N 3.09Å |
| 830 | H | 36 | Very low | 63.2 | Low | 109 Ų | 109 | 70.8 Ų | 70.8 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -142.1 | 84.4 | 176.8 | -60.9 | -54.7 | 0 | 0 | 0 | 111.1 | Q827 Y828 N832 K833 | Q827-H830 PolarHBondContact O-N 2.77Å; Y828-H830 PolarHBondContact O-N 3.31Å; H830-N832 PolarHBondContact O-N 3.34Å; H830-K833 HydrophobicContact CB-CD 4.09Å; H830-K833 HydrophobicContact CB-CG 3.83Å; H830-K833 PolarHBondContact O-N 3.47Å |
| 831 | V | 41 | Very low | 63.1 | Low | 97 Ų | 97 | 74.2 Ų | 74.2 | 59% | 0.588 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -7.5 | 174.3 | -170.9 | 0 | 0 | 0 | 0 | 113.5 | Y828 | Y828-V831 HydrophobicContact CD1-CG2 4.49Š|
| 832 | N | 44.7 | Very low | 62.8 | Low | 149 Ų | 149 | 74.6 Ų | 74.6 | 80% | 0.797 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 9 | 175.7 | -65 | -12.5 | 0 | 0 | 0 | 114.7 | H830 T834 | H830-N832 PolarHBondContact O-N 3.34Å; N832-T834 PolarHBondContact O-N 3.18Å |
| 833 | K | 50.4 | Low | 62.3 | Low | 78 Ų | 78 | 80.8 Ų | 80.8 | 34% | 0.339 | 41% | 0.411 | S | S | . | . | trans | -71.9 | 101.9 | 177.4 | -87.2 | -179.9 | 176.4 | 173.9 | 0 | 110.6 | H830 F835 | H830-K833 HydrophobicContact CB-CD 4.09Å; H830-K833 HydrophobicContact CB-CG 3.83Å; H830-K833 PolarHBondContact O-N 3.47Å; K833-F835 PolarHBondContact O-N 3.43Å | ||
| 834 | T | 61 | Low | 62.1 | Low | 66 Ų | 66 | 80.6 Ų | 80.6 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | trans | -85 | 16.2 | 169 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | N832 A984 I985 Q986 | N832-T834 PolarHBondContact O-N 3.18Å; T834-A984 WeakPolarHBondContact CB-O 3.36Å; T834-I985 CarbonylContact O-C 3.59Å; T834-I985 WeakPolarHBondContact O-CA 3.38Å; T834-Q986 PolarHBondContact O-N 2.79Å | ||
| 835 | F | 72.8 | Confident | 62.4 | Low | 79 Ų | 79 | 80.2 Ų | 80.2 | 35% | 0.346 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 131.2 | -171.7 | 178.2 | -93.2 | 0 | 0 | 0 | 111.5 | K833 Q986 E988 | K833-F835 PolarHBondContact O-N 3.43Å; F835-Q986 CarbonylContact C-O 3.48Å; F835-Q986 VanDerWaalsContact CA-O 3.26Å; F835-Q986 WeakPolarHBondContact CA-O 3.36Å; F835-Q986 HydrophobicContact CD2-CB 3.81Å; F835-E988 HydrophobicContact CE2-CB 3.87Å; F835-E988 WeakPolarHBondContact CE2-OE2 3.4Å; F835-E988 HydrophobicContact CZ-CB 3.83Å; F835-E988 HydrophobicContact CZ-CG 4.48Å; F835-E988 WeakPolarHBondContact CZ-OE2 3.33Å |
| 836 | T | 77.7 | Confident | 62.5 | Low | 17 Ų | 17 | 81.8 Ų | 81.8 | 10% | 0.104 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144.9 | 171.8 | 46.9 | 0 | 0 | 0 | 0 | 111.8 | N824 E826 Q986 S987 E988 | N824-T836 HydrophobicContact CB-CG2 4.23Å; N824-T836 WeakPolarHBondContact ND2-CG2 3.45Å; N824-T836 PolarHBondContact ND2-OG1 3.02Å; E826-T836 WeakPolarHBondContact OE2-CG2 3.33Å; T836-Q986 PolarHBondContact N-O 3.1Å; T836-S987 CarbonylContact O-C 3.53Å; T836-S987 WeakPolarHBondContact O-CA 3.32Å; T836-E988 PolarHBondContact O-N 3.44Å |
| 837 | S | 78.4 | Confident | 63.1 | Low | 61 Ų | 61 | 83.9 Ų | 83.9 | 43% | 0.427 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.4 | 179 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | E988 Y990 | S837-E988 CarbonylContact C-O 3.59Å; S837-E988 VanDerWaalsContact CA-O 3.25Å; S837-E988 WeakPolarHBondContact CA-O 3.42Å; S837-Y990 WeakPolarHBondContact OG-CD2 3.28Å; S837-Y990 WeakPolarHBondContact OG-CE2 3.46Å |
| 838 | R | 82.9 | Confident | 64.9 | Low | 45 Ų | 45 | 78.9 Ų | 78.9 | 17% | 0.17 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.4 | -179.7 | -63.8 | -171.8 | -170.3 | 151.9 | 11.7 | 111.7 | E826 Y850 E988 F989 Y990 | E826-R838 IonicContact OE1-CZ 2.81Å; E826-R838 IonicContact OE1-NE 3.68Å; E826-R838 PolarHBondContact OE1-NE 3.07Å; E826-R838 IonicContact OE1-NH2 2.8Å; E826-R838 PolarHBondContact OE1-NH2 3.4Å; E826-R838 IonicContact OE2-CZ 3.57Å; E826-R838 IonicContact OE2-NE 3.63Å; E826-R838 IonicContact OE2-NH2 3.76Å; E826-R838 PolarHBondContact OE2-NH2 2.69Å; R838-Y850 PolarHBondContact NH1-O 3.32Å; R838-E988 PolarHBondContact N-O 3.18Å; R838-F989 HydrophobicContact CB-CD1 4.03Å; R838-F989 HydrophobicContact CB-CE1 4.17Å; R838-F989 CarbonylContact O-C 3.57Å; R838-F989 WeakPolarHBondContact O-CA 3.19Å; R838-Y990 PolarHBondContact O-N 3.44Å |
| 839 | N | 82.6 | Confident | 67.1 | Low | 105 Ų | 105 | 72.7 Ų | 72.7 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 124.7 | 176.1 | -68.8 | -16.1 | 0 | 0 | 0 | 109.4 | Y990 Y992 | N839-Y990 CarbonylContact C-O 3.52Å; N839-Y990 WeakPolarHBondContact CA-O 3.5Å; N839-Y992 HydrophobicContact CB-CD2 4.21Å; N839-Y992 HydrophobicContact CB-CE2 3.53Å; N839-Y992 VanDerWaalsContact CG-CE2 3.46Å; N839-Y992 PolarHBondContact OD1-OH 2.79Å |
| 840 | L | 82.6 | Confident | 69.5 | Low | 20 Ų | 20 | 68.9 Ų | 68.9 | 11% | 0.105 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.8 | -178 | -61.9 | 175.7 | 0 | 0 | 0 | 111.1 | V849 W945 F989 Y990 I991 Y992 | L840-V849 HydrophobicContact CD1-CB 4.23Å; L840-V849 HydrophobicContact CD1-CG1 4.03Å; L840-V849 HydrophobicContact CD1-CG2 3.81Å; L840-V849 HydrophobicContact CD2-CG1 3.89Å; L840-V849 HydrophobicContact CD2-CG2 3.98Å; L840-W945 HydrophobicContact CD1-CZ3 4.3Å; L840-F989 HydrophobicContact CD1-CB 3.95Å; L840-F989 HydrophobicContact CD1-CD1 3.42Å; L840-F989 VanDerWaalsContact CD1-CD1 3.42Å; L840-F989 HydrophobicContact CD1-CE1 4.23Å; L840-F989 HydrophobicContact CD1-CG 3.97Å; L840-F989 HydrophobicContact CD2-CD1 4.43Å; L840-F989 HydrophobicContact CG-CD1 3.92Å; L840-Y990 PolarHBondContact N-O 3.38Å; L840-I991 HydrophobicContact CB-CG1 4.41Å; L840-I991 WeakPolarHBondContact O-CA 3.44Å; L840-Y992 PolarHBondContact O-N 2.87Å |
| 841 | T | 74.7 | Confident | 72 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 155.8 | 165.1 | 71.5 | 0 | 0 | 0 | 0 | 109.8 | N843 S844 L845 | T841-N843 PolarHBondContact O-N 3.13Å; T841-S844 WeakPolarHBondContact O-CB 3.31Å; T841-S844 PolarHBondContact O-N 3.42Å; T841-S844 PolarHBondContact OG1-N 2.86Å; T841-S844 PolarHBondContact OG1-OG 2.9Å; T841-L845 PolarHBondContact O-N 3.23Å |
| 842 | K | 69.8 | Low | 74.3 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.5 | -33.3 | 178.1 | -163.9 | 167.6 | -167.2 | 162.1 | 0 | 113.1 | S844 L845 S846 E950 N952 | K842-S844 VanDerWaalsContact C-N 3.35Å; K842-L845 WeakPolarHBondContact O-CB 3.45Å; K842-L845 PolarHBondContact O-N 2.8Å; K842-S846 PolarHBondContact O-N 3.17Å; K842-E950 VanDerWaalsContact CE-O 3.27Å; K842-E950 WeakPolarHBondContact CE-O 3.46Å; K842-E950 PolarHBondContact NZ-O 3.19Å; K842-N952 PolarHBondContact NZ-O 2.93Å |
| 843 | N | 69.5 | Low | 76.2 | Confident | 130 Ų | 130 | 53.3 Ų | 53.3 | 70% | 0.695 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68.1 | -32.6 | 176.8 | -67.2 | 4.3 | 0 | 0 | 0 | 112.7 | T841 L845 S846 T847 | T841-N843 PolarHBondContact O-N 3.13Å; N843-L845 PolarHBondContact O-N 3.45Å; N843-S846 PolarHBondContact O-OG 3.29Å; N843-T847 PolarHBondContact O-OG1 3.43Å |
| 844 | S | 70 | Confident | 77.6 | Confident | 44 Ų | 44 | 55.3 Ų | 55.3 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -27.7 | 174.4 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | T841 K842 T847 G848 V849 | T841-S844 WeakPolarHBondContact O-CB 3.31Å; T841-S844 PolarHBondContact O-N 3.42Å; T841-S844 PolarHBondContact OG1-N 2.86Å; T841-S844 PolarHBondContact OG1-OG 2.9Å; K842-S844 VanDerWaalsContact C-N 3.35Å; S844-T847 PolarHBondContact O-OG1 3.2Å; S844-T847 VanDerWaalsContact O-OG1 3.06Å; S844-G848 PolarHBondContact O-N 3.44Å; S844-V849 VanDerWaalsContact O-CG2 3.27Å; S844-V849 WeakPolarHBondContact O-CG2 3.31Å |
| 845 | L | 73.1 | Confident | 78.7 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -78.2 | -29.1 | -179.1 | -169.3 | 65.6 | 0 | 0 | 0 | 113.3 | T841 K842 N843 W945 L946 C947 I991 | T841-L845 PolarHBondContact O-N 3.23Å; K842-L845 WeakPolarHBondContact O-CB 3.45Å; K842-L845 PolarHBondContact O-N 2.8Å; N843-L845 PolarHBondContact O-N 3.45Å; L845-W945 HydrophobicContact CD1-CD2 3.74Å; L845-W945 HydrophobicContact CD1-CE3 3.61Å; L845-W945 HydrophobicContact CD1-CH2 3.7Å; L845-W945 HydrophobicContact CD1-CZ2 3.76Å; L845-W945 HydrophobicContact CD1-CZ3 3.61Å; L845-W945 HydrophobicContact CD2-CH2 4.3Å; L845-W945 HydrophobicContact CD2-CZ2 4.23Å; L845-L946 WeakPolarHBondContact O-CA 3.5Å; L845-C947 HydrophobicContact CD1-CB 4.43Å; L845-C947 HydrophobicContact CD2-CB 3.46Å; L845-C947 VanDerWaalsContact CD2-CB 3.46Å; L845-C947 HydrophobicContact CG-CB 3.67Å; L845-C947 PolarHBondContact O-N 3.28Å; L845-C947 VanDerWaalsContact O-N 3.14Å; L845-I991 HydrophobicContact CD2-CD1 3.73Å |
| 846 | S | 68.3 | Low | 78.9 | Confident | 75 Ų | 75 | 49.8 Ų | 49.8 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -74 | -28 | 176.1 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | K842 N843 | K842-S846 PolarHBondContact O-N 3.17Å; N843-S846 PolarHBondContact O-OG 3.29Å |
| 847 | T | 69.8 | Low | 79 | Confident | 112 Ų | 112 | 49.3 Ų | 49.3 | 69% | 0.687 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -84.4 | -17.1 | 175.8 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | N843 S844 | N843-T847 PolarHBondContact O-OG1 3.43Å; S844-T847 PolarHBondContact O-OG1 3.2Å; S844-T847 VanDerWaalsContact O-OG1 3.06Å |
| 848 | G | 79.3 | Confident | 78.6 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | trans | 95.4 | 136.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | S844 W945 | S844-G848 PolarHBondContact O-N 3.44Å; G848-W945 WeakPolarHBondContact CA-O 3.44Å | ||
| 849 | V | 85.1 | Confident | 77.9 | Confident | 17 Ų | 17 | 51 Ų | 51 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.1 | -175.3 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | L840 S844 I851 Q944 W945 F989 | L840-V849 HydrophobicContact CD1-CB 4.23Å; L840-V849 HydrophobicContact CD1-CG1 4.03Å; L840-V849 HydrophobicContact CD1-CG2 3.81Å; L840-V849 HydrophobicContact CD2-CG1 3.89Å; L840-V849 HydrophobicContact CD2-CG2 3.98Å; S844-V849 VanDerWaalsContact O-CG2 3.27Å; S844-V849 WeakPolarHBondContact O-CG2 3.31Å; V849-I851 PolarHBondContact O-N 2.86Å; V849-Q944 CarbonylContact O-C 3.51Å; V849-Q944 VanDerWaalsContact O-CA 3.31Å; V849-Q944 WeakPolarHBondContact O-CA 3.45Å; V849-W945 PolarHBondContact N-O 3.24Å; V849-W945 PolarHBondContact O-N 2.87Å; V849-F989 HydrophobicContact CG1-CD1 4.33Å; V849-F989 HydrophobicContact CG1-CE1 3.7Å; V849-F989 HydrophobicContact CG1-CZ 4.33Å |
| 850 | Y | 89.4 | Confident | 76.8 | Confident | 91 Ų | 91 | 52.8 Ų | 52.8 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 125.9 | 175.3 | -62.9 | -69.4 | 0 | 0 | 0 | 111.9 | R838 P853 H942 V943 Q944 | R838-Y850 PolarHBondContact NH1-O 3.32Å; Y850-P853 WeakPolarHBondContact O-CD 3.37Å; Y850-H942 HydrophobicContact CE1-CB 4.37Å; Y850-V943 WeakPolarHBondContact CA-O 3.36Å; Y850-Q944 HydrophobicContact CD1-CG 3.36Å; Y850-Q944 HydrophobicContact CE1-CG 3.33Å; Y850-Q944 VanDerWaalsContact CE1-NE2 3.27Å; Y850-Q944 HydrophobicContact CG-CG 4.17Å; Y850-Q944 PolarHBondContact OH-NE2 2.72Å |
| 851 | I | 89.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -72.7 | -46.4 | -174.7 | -53.1 | -177.5 | 0 | 0 | 0 | 111.1 | V849 I884 I905 V943 W945 F959 S987 F989 | V849-I851 PolarHBondContact O-N 2.86Å; I851-I884 HydrophobicContact CD1-CG2 4.42Å; I851-I905 HydrophobicContact CD1-CD1 4.43Å; I851-I905 HydrophobicContact CD1-CG1 4.45Å; I851-I905 HydrophobicContact CD1-CG2 4.04Å; I851-V943 HydrophobicContact CD1-CG1 3.78Å; I851-V943 HydrophobicContact CG1-CG1 4.34Å; I851-V943 PolarHBondContact N-O 2.95Å; I851-W945 HydrophobicContact CD1-CB 3.93Å; I851-W945 HydrophobicContact CG1-CB 3.86Å; I851-F959 HydrophobicContact CD1-CD1 4.17Å; I851-F959 HydrophobicContact CD1-CD2 4.38Å; I851-F959 HydrophobicContact CD1-CE1 4.26Å; I851-F959 HydrophobicContact CD1-CE2 4.45Å; I851-F959 HydrophobicContact CD1-CG 4.23Å; I851-F959 HydrophobicContact CD1-CZ 4.39Å; I851-F959 HydrophobicContact CG2-CB 3.55Å; I851-F959 HydrophobicContact CG2-CD2 3.75Å; I851-F959 HydrophobicContact CG2-CG 3.69Å; I851-S987 WeakPolarHBondContact O-CB 3.22Å; I851-S987 PolarHBondContact O-OG 2.96Å; I851-F989 HydrophobicContact CG2-CE2 4.19Å |
| 852 | F | 89.7 | Confident | 74 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -135.7 | 57 | -176.4 | -60.4 | -78.4 | 0 | 0 | 0 | 113.9 | Y854 I855 I884 F959 V961 I985 S987 | F852-Y854 PolarHBondContact O-N 2.89Å; F852-I855 HydrophobicContact CB-CB 4Å; F852-I855 HydrophobicContact CB-CD1 4.1Å; F852-I855 HydrophobicContact CB-CG2 4.19Å; F852-I855 HydrophobicContact CD1-CD1 4.42Å; F852-I855 HydrophobicContact CG-CD1 4.24Å; F852-I855 VanDerWaalsContact O-CG2 3.26Å; F852-I855 WeakPolarHBondContact O-CG2 3.46Å; F852-I855 PolarHBondContact O-N 2.79Å; F852-I884 HydrophobicContact CD2-CD1 4.42Å; F852-I884 HydrophobicContact CE2-CD1 4.47Å; F852-I884 HydrophobicContact CE2-CG1 4.23Å; F852-I884 HydrophobicContact CE2-CG2 3.99Å; F852-F959 HydrophobicContact CE2-CB 4.25Å; F852-F959 HydrophobicContact CZ-CB 4.15Å; F852-V961 HydrophobicContact CD1-CG1 3.95Å; F852-V961 HydrophobicContact CD2-CB 4.14Å; F852-V961 HydrophobicContact CD2-CG1 4.02Å; F852-V961 HydrophobicContact CE1-CB 4.34Å; F852-V961 HydrophobicContact CE1-CG1 3.6Å; F852-V961 HydrophobicContact CE2-CB 3.58Å; F852-V961 HydrophobicContact CE2-CG1 3.7Å; F852-V961 HydrophobicContact CG-CG1 4.15Å; F852-V961 HydrophobicContact CZ-CB 3.7Å; F852-V961 HydrophobicContact CZ-CG1 3.48Å; F852-V961 VanDerWaalsContact CZ-CG1 3.48Å; F852-I985 HydrophobicContact CD1-CG2 4.47Å; F852-I985 HydrophobicContact CE1-CG2 4.19Å; F852-S987 VanDerWaalsContact CE1-CB 3.47Å |
| 853 | P | 82.6 | Confident | 72.5 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.5 | -172 | 24.1 | -33.4 | 0 | 0 | 0 | 115.5 | Y850 K941 | Y850-P853 WeakPolarHBondContact O-CD 3.37Å; P853-K941 WeakPolarHBondContact O-CG 3.49Å |
| 854 | Y | 80.7 | Confident | 71 | Confident | 119 Ų | 119 | 53.6 Ų | 53.6 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 20.3 | -177.9 | -50.6 | -79.8 | 0 | 0 | 0 | 113 | N824 A825 E826 F852 | N824-Y854 WeakPolarHBondContact OD1-CB 3.4Å; A825-Y854 PolarHBondContact N-O 2.79Å; E826-Y854 HydrophobicContact CB-CD2 4.5Å; E826-Y854 HydrophobicContact CG-CD2 3.07Å; E826-Y854 HydrophobicContact CG-CE2 3.48Å; E826-Y854 VanDerWaalsContact CG-CE2 3.48Å; E826-Y854 HydrophobicContact CG-CG 3.64Å; E826-Y854 WeakPolarHBondContact OE1-CD2 3.27Å; E826-Y854 WeakPolarHBondContact OE1-CE2 3.42Å; F852-Y854 PolarHBondContact O-N 2.89Å |
| 855 | I | 83.8 | Confident | 69.2 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 138.2 | 177.1 | -162.8 | 159.8 | 0 | 0 | 0 | 111.2 | L822 F852 L940 K941 V961 I985 | L822-I855 HydrophobicContact CD2-CD1 3.61Å; L822-I855 HydrophobicContact CD2-CG1 4.08Å; F852-I855 HydrophobicContact CB-CB 4Å; F852-I855 HydrophobicContact CB-CD1 4.1Å; F852-I855 HydrophobicContact CB-CG2 4.19Å; F852-I855 HydrophobicContact CD1-CD1 4.42Å; F852-I855 HydrophobicContact CG-CD1 4.24Å; F852-I855 VanDerWaalsContact O-CG2 3.26Å; F852-I855 WeakPolarHBondContact O-CG2 3.46Å; F852-I855 PolarHBondContact O-N 2.79Å; I855-L940 HydrophobicContact CD1-CD1 4.09Å; I855-L940 HydrophobicContact CG2-CB 3.73Å; I855-K941 HydrophobicContact CG2-CG 3.86Å; I855-K941 WeakPolarHBondContact O-CE 3.36Å; I855-V961 HydrophobicContact CD1-CB 4.5Å; I855-V961 HydrophobicContact CD1-CG1 3.45Å; I855-V961 VanDerWaalsContact CD1-CG1 3.45Å; I855-V961 HydrophobicContact CD1-CG2 4.34Å; I855-I985 HydrophobicContact CD1-CD1 4.38Å; I855-I985 HydrophobicContact CG1-CD1 4.25Å |
| 856 | T | 77.1 | Confident | 67.3 | Low | 29 Ų | 29 | 60.8 Ų | 60.8 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.1 | 174.5 | -54 | 0 | 0 | 0 | 0 | 108.7 | L822 F823 M858 M937 | L822-T856 CarbonylContact C-O 3.49Å; L822-T856 VanDerWaalsContact CA-O 3.28Å; L822-T856 WeakPolarHBondContact CA-O 3.15Å; F823-T856 HydrophobicContact CE1-CG2 3.7Å; F823-T856 HydrophobicContact CE2-CG2 3.9Å; F823-T856 VanDerWaalsContact CZ-CB 3.4Å; F823-T856 HydrophobicContact CZ-CG2 3.27Å; F823-T856 PolarHBondContact N-O 2.89Å; F823-T856 PolarHBondContact O-N 3.36Å; T856-M858 HydrophobicContact CG2-CG 4.27Å; T856-M937 HydrophobicContact CG2-SD 4.1Å |
| 857 | I | 80.7 | Confident | 65.5 | Low | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.6 | 178.6 | -50.2 | 173 | 0 | 0 | 0 | 107.4 | L820 V821 L822 I879 V933 M937 L940 | L820-I857 HydrophobicContact CD1-CG2 3.5Å; L820-I857 VanDerWaalsContact CD1-CG2 3.5Å; L820-I857 HydrophobicContact CG-CG2 4.23Å; V821-I857 WeakPolarHBondContact O-CA 3.47Å; L822-I857 HydrophobicContact CD2-CG1 4.06Å; L822-I857 HydrophobicContact CG-CG1 4.2Å; I857-I879 HydrophobicContact CD1-CD1 3.87Å; I857-I879 HydrophobicContact CG2-CD1 3.84Å; I857-V933 HydrophobicContact CB-CG1 3.69Å; I857-V933 HydrophobicContact CG2-CG1 3.89Å; I857-V933 VanDerWaalsContact O-CG1 3.23Å; I857-V933 WeakPolarHBondContact O-CG1 3.32Å; I857-M937 HydrophobicContact CD1-CB 4.35Å; I857-L940 HydrophobicContact CD1-CD1 3.96Å |
| 858 | M | 70.3 | Confident | 63.5 | Low | 104 Ų | 104 | 63 Ų | 63 | 51% | 0.512 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 150.6 | 179.4 | -74.1 | -174.6 | 70.1 | 0 | 0 | 111.6 | V821 F823 T856 | V821-M858 PolarHBondContact N-O 2.79Å; V821-M858 PolarHBondContact O-N 2.9Å; F823-M858 HydrophobicContact CE1-CB 4.24Å; F823-M858 HydrophobicContact CE1-CG 3.73Å; F823-M858 HydrophobicContact CE1-SD 3.48Å; F823-M858 WeakPolarHBondContact CE1-SD 3.37Å; F823-M858 HydrophobicContact CZ-CG 4.26Å; F823-M858 HydrophobicContact CZ-SD 3.67Å; T856-M858 HydrophobicContact CG2-CG 4.27Å |
| 859 | W | 67.8 | Low | 61.1 | Low | 37 Ų | 37 | 70.9 Ų | 70.9 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.9 | 167.2 | -71.1 | 100 | 0 | 0 | 0 | 109.8 | N818 L820 Q877 V933 A965 I967 V980 | N818-W859 HydrophobicContact CB-CE3 4.23Å; N818-W859 HydrophobicContact CB-CZ3 4.39Å; L820-W859 HydrophobicContact CB-CE3 4.25Å; L820-W859 HydrophobicContact CB-CH2 4.24Å; L820-W859 HydrophobicContact CB-CZ3 4.03Å; L820-W859 HydrophobicContact CD1-CD2 4.03Å; L820-W859 HydrophobicContact CD1-CE3 4.43Å; L820-W859 HydrophobicContact CD1-CH2 4.38Å; L820-W859 HydrophobicContact CD1-CZ2 3.96Å; W859-Q877 HydrophobicContact CD2-CB 4.37Å; W859-Q877 HydrophobicContact CZ2-CB 3.85Å; W859-Q877 HydrophobicContact CZ2-CG 4.48Å; W859-V933 VanDerWaalsContact NE1-CG2 3.34Å; W859-A965 HydrophobicContact CH2-CB 3.45Å; W859-A965 VanDerWaalsContact CH2-CB 3.45Å; W859-A965 HydrophobicContact CZ2-CB 3.66Å; W859-I967 HydrophobicContact CH2-CG2 3.39Å; W859-I967 HydrophobicContact CZ2-CG2 4.27Å; W859-I967 HydrophobicContact CZ3-CG2 3.75Å; W859-V980 HydrophobicContact CZ3-CG1 4.21Å |
| 860 | K | 58.6 | Low | 58.5 | Low | 143 Ų | 143 | 75 Ų | 75 | 62% | 0.622 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 110.6 | 169.7 | -173.4 | 179.3 | -178.1 | 179 | 0 | 108.5 | S819 V821 | S819-K860 PolarHBondContact N-O 2.87Å; S819-K860 VanDerWaalsContact N-O 3.14Å; S819-K860 PolarHBondContact O-N 3.13Å; V821-K860 HydrophobicContact CG2-CB 4.22Å |
| 861 | T | 53.3 | Low | 55.4 | Low | 59 Ų | 59 | 75.6 Ų | 75.6 | 36% | 0.362 | 40% | 0.398 | S | S | . | . | trans | -87.5 | 136.9 | 169.7 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 862 | P | 45 | Very low | 52.5 | Low | 31 Ų | 31 | 81.3 Ų | 81.3 | 20% | 0.201 | 44% | 0.438 | C | S | . | . | trans | -59.9 | 138.4 | 171.9 | -22.1 | 32.7 | 0 | 0 | 0 | 111 | P816 E864 L865 | P816-P862 HydrophobicContact CB-CB 3.76Å; P816-P862 HydrophobicContact CB-CG 3.59Å; P816-P862 HydrophobicContact CG-CB 4.37Å; P816-P862 HydrophobicContact CG-CG 4.3Å; P862-E864 PolarHBondContact O-N 3.01Å; P862-L865 PolarHBondContact O-N 3.37Å | ||
| 863 | S | 38.8 | Very low | 49.7 | Very low | 89 Ų | 89 | 84.4 Ų | 84.4 | 62% | 0.622 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.2 | -177.1 | -52.3 | 0 | 0 | 0 | 0 | 114.4 | L865 L866 | S863-L865 VanDerWaalsContact C-N 3.3Å; S863-L865 PolarHBondContact O-N 2.89Å; S863-L866 PolarHBondContact O-N 3.05Å |
| 864 | E | 37.2 | Very low | 47.2 | Very low | 117 Ų | 117 | 91.7 Ų | 91.7 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -28.7 | 176.7 | -71.9 | 165.3 | 170.8 | 0 | 0 | 113.2 | P862 | P862-E864 PolarHBondContact O-N 3.01Š|
| 865 | L | 33.2 | Very low | 45.2 | Very low | 89 Ų | 89 | 91.2 Ų | 91.2 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -74.9 | -26.2 | 175.3 | -100.6 | 140.1 | 0 | 0 | 0 | 112.9 | P862 S863 N867 L868 | P862-L865 PolarHBondContact O-N 3.37Å; S863-L865 VanDerWaalsContact C-N 3.3Å; S863-L865 PolarHBondContact O-N 2.89Å; L865-N867 PolarHBondContact O-N 3.04Å; L865-L868 PolarHBondContact O-N 2.93Å |
| 866 | L | 33.9 | Very low | 43.3 | Very low | 113 Ų | 113 | 98.9 Ų | 98.9 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -70 | -19.6 | 179.6 | -71.8 | 167.1 | 0 | 0 | 0 | 112.9 | S863 | S863-L866 PolarHBondContact O-N 3.05Š|
| 867 | N | 30.4 | Very low | 42.5 | Very low | 117 Ų | 117 | 100.4 Ų | 100.4 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -88.7 | -8.7 | -179.4 | -73.4 | -18.8 | 0 | 0 | 0 | 114 | L865 H869 | L865-N867 PolarHBondContact O-N 3.04Å; N867-H869 PolarHBondContact O-N 3.32Å |
| 868 | L | 27.9 | Very low | 41.9 | Very low | 117 Ų | 117 | 101.8 Ų | 101.8 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | trans | -93.9 | 74.8 | 176.9 | -86.8 | 135.3 | 0 | 0 | 0 | 110.5 | L865 S870 | L865-L868 PolarHBondContact O-N 2.93Å; L868-S870 PolarHBondContact O-N 2.82Å | ||
| 869 | H | 28.9 | Very low | 42.3 | Very low | 180 Ų | 180 | 96.8 Ų | 96.8 | 83% | 0.833 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 76.5 | 166.9 | -75.1 | -72.8 | 0 | 0 | 0 | 111.2 | N867 | N867-H869 PolarHBondContact O-N 3.32Š|
| 870 | S | 28.9 | Very low | 42.9 | Very low | 104 Ų | 104 | 95.6 Ų | 95.6 | 73% | 0.727 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -171.8 | -2.6 | 158.4 | 54.1 | 0 | 0 | 0 | 0 | 116.4 | L868 | L868-S870 PolarHBondContact O-N 2.82Š|
| 871 | T | 25.9 | Very low | 44.4 | Very low | 104 Ų | 104 | 89 Ų | 89 | 64% | 0.638 | 49% | 0.487 | S | S | * | . | trans | -133.3 | 65.7 | 178.2 | 58.8 | 0 | 0 | 0 | 0 | 111.6 | S873 | T871-S873 PolarHBondContact O-N 3.32Š| ||
| 872 | S | 27.8 | Very low | 46.2 | Very low | 119 Ų | 119 | 86.2 Ų | 86.2 | 83% | 0.832 | 47% | 0.469 | S | S | * | . | trans | -76 | 63.8 | 159.2 | 62 | 0 | 0 | 0 | 0 | 108.9 | E874 | S872-E874 PolarHBondContact O-N 3.35Š| ||
| 873 | S | 30.4 | Very low | 48.3 | Very low | 66 Ų | 66 | 85.9 Ų | 85.9 | 46% | 0.462 | 47% | 0.467 | S | S | . | . | trans | -70.9 | 110 | 156.2 | 57 | 0 | 0 | 0 | 0 | 105.5 | T871 F875 | T871-S873 PolarHBondContact O-N 3.32Å; S873-F875 VanDerWaalsContact O-CD2 3.27Å; S873-F875 WeakPolarHBondContact O-CD2 3.45Å; S873-F875 PolarHBondContact O-N 3.46Å; S873-F875 WeakPolarHBondContact OG-CE2 3.08Å; S873-F875 WeakPolarHBondContact OG-CZ 3.27Å | ||
| 874 | E | 30.4 | Very low | 50.8 | Low | 181 Ų | 181 | 81.7 Ų | 81.7 | 85% | 0.846 | 44% | 0.437 | S | S | * | . | trans | -53.8 | 80.8 | 169.2 | -66.8 | 173 | 162.7 | 0 | 0 | 109.5 | S872 Q876 | S872-E874 PolarHBondContact O-N 3.35Å; E874-Q876 PolarHBondContact O-N 3.36Å; E874-Q876 VanDerWaalsContact O-N 3.09Å | ||
| 875 | F | 39.9 | Very low | 53.2 | Low | 110 Ų | 110 | 78 Ų | 78 | 48% | 0.482 | 42% | 0.422 | S | S | . | . | trans | -64.3 | 114.2 | 166.9 | -71.9 | -77.5 | 0 | 0 | 0 | 105.9 | S873 Q877 | S873-F875 VanDerWaalsContact O-CD2 3.27Å; S873-F875 WeakPolarHBondContact O-CD2 3.45Å; S873-F875 PolarHBondContact O-N 3.46Å; S873-F875 WeakPolarHBondContact OG-CE2 3.08Å; S873-F875 WeakPolarHBondContact OG-CZ 3.27Å; F875-Q877 VanDerWaalsContact C-N 3.3Å; F875-Q877 PolarHBondContact O-N 3.37Å | ||
| 876 | Q | 42.5 | Very low | 55.6 | Low | 162 Ų | 162 | 74.8 Ų | 74.8 | 76% | 0.757 | 40% | 0.404 | S | S | * | . | trans | -62.5 | 93.5 | 174.6 | -70.8 | -177.5 | -7.7 | 0 | 0 | 108.5 | E874 T878 | E874-Q876 PolarHBondContact O-N 3.36Å; E874-Q876 VanDerWaalsContact O-N 3.09Å; Q876-T878 PolarHBondContact O-N 3.43Å; Q876-T878 VanDerWaalsContact O-N 3.12Å | ||
| 877 | Q | 60.1 | Low | 57.9 | Low | 61 Ų | 61 | 70 Ų | 70 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | trans | -79 | 93 | 177.9 | -70.5 | 171.3 | 4.8 | 0 | 0 | 108.5 | W859 F875 | W859-Q877 HydrophobicContact CD2-CB 4.37Å; W859-Q877 HydrophobicContact CZ2-CB 3.85Å; W859-Q877 HydrophobicContact CZ2-CG 4.48Å; F875-Q877 VanDerWaalsContact C-N 3.3Å; F875-Q877 PolarHBondContact O-N 3.37Å | ||
| 878 | T | 68.8 | Low | 59.6 | Low | 34 Ų | 34 | 74.4 Ų | 74.4 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 139.5 | 179.5 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | Q876 S930 S931 A965 | Q876-T878 PolarHBondContact O-N 3.43Å; Q876-T878 VanDerWaalsContact O-N 3.12Å; T878-S930 WeakPolarHBondContact CB-OG 3.45Å; T878-S930 PolarHBondContact OG1-OG 3.36Å; T878-S930 VanDerWaalsContact OG1-OG 3.09Å; T878-S931 CarbonylContact C-O 3.57Å; T878-S931 WeakPolarHBondContact CA-O 3.18Å; T878-A965 WeakPolarHBondContact O-CB 3.3Å |
| 879 | I | 79.5 | Confident | 61.1 | Low | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.8 | 168.7 | -60.8 | 177.2 | 0 | 0 | 0 | 107 | L820 I857 G929 S930 S931 V933 Y936 C963 E964 | L820-I879 HydrophobicContact CD1-CD1 4.38Å; L820-I879 HydrophobicContact CD1-CG1 4.46Å; L820-I879 HydrophobicContact CD2-CG1 4.38Å; I857-I879 HydrophobicContact CD1-CD1 3.87Å; I857-I879 HydrophobicContact CG2-CD1 3.84Å; I879-G929 VanDerWaalsContact O-O 3.11Å; I879-S930 WeakPolarHBondContact O-CA 3.29Å; I879-S931 PolarHBondContact N-O 3.41Å; I879-S931 PolarHBondContact O-N 3Å; I879-V933 HydrophobicContact CD1-CB 4.37Å; I879-V933 HydrophobicContact CD1-CG1 4.5Å; I879-V933 HydrophobicContact CD1-CG2 4.16Å; I879-V933 HydrophobicContact CG1-CG2 4.45Å; I879-Y936 HydrophobicContact CB-CD2 3.48Å; I879-Y936 VanDerWaalsContact CB-CD2 3.48Å; I879-Y936 HydrophobicContact CB-CE2 3.65Å; I879-Y936 HydrophobicContact CB-CG 4.03Å; I879-Y936 HydrophobicContact CD1-CD2 4.27Å; I879-Y936 HydrophobicContact CD1-CG 4.21Å; I879-Y936 HydrophobicContact CG1-CD2 4.41Å; I879-Y936 HydrophobicContact CG2-CD1 3.93Å; I879-Y936 HydrophobicContact CG2-CD2 3.58Å; I879-Y936 HydrophobicContact CG2-CE1 3.95Å; I879-Y936 HydrophobicContact CG2-CE2 3.62Å; I879-Y936 HydrophobicContact CG2-CG 3.71Å; I879-Y936 WeakPolarHBondContact O-CE2 3.23Å; I879-C963 HydrophobicContact CG2-CB 4.29Å; I879-E964 WeakPolarHBondContact CG2-O 3.48Å |
| 880 | S | 80.6 | Confident | 62 | Low | 11 Ų | 11 | 64 Ų | 64 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -34.7 | -179.1 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | G929 Y936 E964 | S880-G929 PolarHBondContact O-N 3.01Å; S880-Y936 PolarHBondContact O-OH 3.42Å; S880-E964 PolarHBondContact N-O 2.55Å; S880-E964 VanDerWaalsContact OG-C 3.27Å; S880-E964 PolarHBondContact OG-O 3Å |
| 881 | S | 88.2 | Confident | 62.7 | Low | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 155.7 | -179.6 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | I927 Y936 C963 E964 | S881-I927 CarbonylContact C-O 3.59Å; S881-I927 VanDerWaalsContact CA-O 3.24Å; S881-I927 WeakPolarHBondContact CA-O 3.39Å; S881-Y936 WeakPolarHBondContact CA-OH 3.03Å; S881-Y936 PolarHBondContact N-OH 2.69Å; S881-C963 CarbonylContact O-C 3.56Å; S881-C963 VanDerWaalsContact O-CA 3.27Å; S881-C963 WeakPolarHBondContact O-CA 3.48Å; S881-E964 PolarHBondContact N-O 3.14Å; S881-E964 VanDerWaalsContact N-O 3.16Å; S881-E964 PolarHBondContact O-N 3.23Å; S881-E964 PolarHBondContact OG-OE2 3.13Å |
| 882 | C | 92.6 | Very high | 63.4 | Low | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128 | 164.4 | -64.9 | 0 | 0 | 0 | 0 | 109.3 | I927 Y936 L940 S962 C963 | C882-I927 PolarHBondContact N-O 3.14Å; C882-I927 PolarHBondContact O-N 3.07Å; C882-Y936 HydrophobicContact CB-CD1 3.83Å; C882-Y936 HydrophobicContact CB-CE1 3.98Å; C882-Y936 WeakPolarHBondContact SG-CD1 3.39Å; C882-L940 HydrophobicContact CB-CD1 4.17Å; C882-L940 HydrophobicContact CB-CD2 4.15Å; C882-S962 CarbonylContact C-O 3.51Å; C882-S962 WeakPolarHBondContact CA-O 3.19Å; C882-C963 HydrophobicContact CB-CB 4.12Å; C882-C963 WeakPolarHBondContact CB-SG 3.32Å; C882-C963 WeakPolarHBondContact SG-CB 3.45Å; C882-C963 CovalentContact SG-SG 2.03Å; C882-C963 PolarHBondContact SG-SG 2.8Å |
| 883 | T | 89.4 | Confident | 64 | Low | 24 Ų | 24 | 70.9 Ų | 70.9 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.8 | -179.4 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | L926 V961 S962 | T883-L926 HydrophobicContact CG2-CD1 3.62Å; T883-V961 VanDerWaalsContact O-CA 3.28Å; T883-V961 WeakPolarHBondContact O-CA 3.16Å; T883-S962 PolarHBondContact N-O 3.04Å; T883-S962 PolarHBondContact O-N 2.81Å; T883-S962 PolarHBondContact OG1-O 3.36Å; T883-S962 PolarHBondContact OG1-OG 2.87Å |
| 884 | I | 91.3 | Very high | 64.6 | Low | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 106.4 | 167.4 | -58.7 | 168.5 | 0 | 0 | 0 | 107.2 | I851 F852 G924 F925 L940 V943 F959 N960 V961 | I851-I884 HydrophobicContact CD1-CG2 4.42Å; F852-I884 HydrophobicContact CD2-CD1 4.42Å; F852-I884 HydrophobicContact CE2-CD1 4.47Å; F852-I884 HydrophobicContact CE2-CG1 4.23Å; F852-I884 HydrophobicContact CE2-CG2 3.99Å; I884-G924 CarbonylContact O-C 3.56Å; I884-G924 WeakPolarHBondContact O-CA 3.24Å; I884-F925 HydrophobicContact CB-CB 4.19Å; I884-F925 HydrophobicContact CD1-CD1 4.44Å; I884-F925 PolarHBondContact N-O 2.73Å; I884-F925 PolarHBondContact O-N 2.95Å; I884-L940 HydrophobicContact CD1-CD2 3.79Å; I884-L940 HydrophobicContact CG1-CD2 4.05Å; I884-V943 HydrophobicContact CD1-CB 4.07Å; I884-V943 HydrophobicContact CD1-CG1 3.87Å; I884-V943 HydrophobicContact CD1-CG2 3.84Å; I884-F959 HydrophobicContact CG2-CB 4.1Å; I884-F959 HydrophobicContact CG2-CD1 4.1Å; I884-F959 HydrophobicContact CG2-CG 4.47Å; I884-N960 CarbonylContact C-O 3.48Å; I884-N960 VanDerWaalsContact CA-O 3.29Å; I884-N960 WeakPolarHBondContact CA-O 3.08Å; I884-V961 HydrophobicContact CG1-CB 4.14Å; I884-V961 HydrophobicContact CG1-CG2 3.92Å |
| 885 | D | 87.3 | Confident | 65.2 | Low | 41 Ų | 41 | 66.8 Ų | 66.8 | 22% | 0.219 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 154.9 | 179.8 | -70 | -26.7 | 0 | 0 | 0 | 110.5 | R921 F959 N960 | D885-R921 IonicContact OD1-NH1 3.69Å; D885-R921 PolarHBondContact OD1-NH1 2.87Å; D885-R921 IonicContact OD2-NH1 3.69Å; D885-F959 CarbonylContact O-C 3.59Å; D885-N960 PolarHBondContact N-O 2.86Å; D885-N960 PolarHBondContact O-N 3.07Å |
| 886 | L | 83.9 | Confident | 65.6 | Low | 20 Ų | 20 | 67.4 Ų | 67.4 | 11% | 0.105 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 142.1 | 168.1 | -68.5 | 170.5 | 0 | 0 | 0 | 111 | K888 L899 N923 C958 F959 | L886-K888 PolarHBondContact O-N 3.27Å; L886-L899 HydrophobicContact CD1-CD2 4.15Å; L886-L899 HydrophobicContact CD1-CG 4.25Å; L886-L899 HydrophobicContact CD2-CD2 4.22Å; L886-L899 HydrophobicContact CG-CD2 4.45Å; L886-N923 PolarHBondContact N-O 3.46Å; L886-C958 WeakPolarHBondContact CA-O 3.29Å; L886-F959 HydrophobicContact CD2-CD1 3.97Å; L886-F959 HydrophobicContact CD2-CE1 3.67Å; L886-F959 HydrophobicContact CD2-CZ 4.26Å |
| 887 | C | 82.1 | Confident | 66.4 | Low | 14 Ų | 14 | 63.8 Ų | 63.8 | 10% | 0.095 | 35% | 0.354 | C | S | . | . | trans | -63.6 | 131.6 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | G889 C958 | C887-G889 PolarHBondContact O-N 3.16Å; C887-C958 HydrophobicContact CB-CB 3.56Å; C887-C958 WeakPolarHBondContact CB-SG 3.34Å; C887-C958 PolarHBondContact N-O 3.34Å; C887-C958 WeakPolarHBondContact SG-CB 3.34Å; C887-C958 PolarHBondContact SG-O 3.48Å; C887-C958 VanDerWaalsContact SG-O 3.4Å; C887-C958 CovalentContact SG-SG 2.04Å; C887-C958 PolarHBondContact SG-SG 3.38Å | ||
| 888 | K | 65.7 | Low | 66.6 | Low | 209 Ų | 209 | 64.5 Ų | 64.5 | 91% | 0.909 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 98.1 | 176.7 | -65.7 | -177.4 | -179.1 | 179.3 | 0 | 109.6 | L886 | L886-K888 PolarHBondContact O-N 3.27Š|
| 889 | G | 59.1 | Low | 66.5 | Low | 55 Ų | 55 | 63.7 Ų | 63.7 | 57% | 0.567 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 155.9 | -6.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | C887 Q891 | C887-G889 PolarHBondContact O-N 3.16Å; G889-Q891 PolarHBondContact O-N 3.2Å |
| 890 | D | 48.5 | Very low | 65.7 | Low | 22 Ų | 22 | 65.4 Ų | 65.4 | 12% | 0.118 | 37% | 0.365 | C | S | . | . | trans | -76.4 | 69.1 | 176 | -81.7 | -22.8 | 0 | 0 | 0 | 111.1 | F892 R956 | D890-F892 PolarHBondContact O-N 2.96Å; D890-R956 IonicContact OD1-NH1 2.98Å; D890-R956 PolarHBondContact OD1-NH1 3.41Å | ||
| 891 | Q | 41.8 | Very low | 64.8 | Low | 181 Ų | 181 | 72.6 Ų | 72.6 | 85% | 0.846 | 40% | 0.401 | S | S | * | . | trans | -83 | 16 | 168.4 | -82.4 | -166.1 | -25.8 | 0 | 0 | 113.3 | G889 N893 | G889-Q891 PolarHBondContact O-N 3.2Å; Q891-N893 PolarHBondContact O-N 2.86Å | ||
| 892 | F | 42 | Very low | 63.6 | Low | 175 Ų | 175 | 73.1 Ų | 73.1 | 77% | 0.768 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 106.6 | 179.5 | -84.6 | -86.9 | 0 | 0 | 0 | 110.1 | D890 | D890-F892 PolarHBondContact O-N 2.96Š|
| 893 | N | 39.8 | Very low | 62.7 | Low | 116 Ų | 116 | 73.3 Ų | 73.3 | 62% | 0.62 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | 23.7 | 180 | -61.4 | -14.4 | 0 | 0 | 0 | 117.6 | Q891 V895 | Q891-N893 PolarHBondContact O-N 2.86Å; N893-V895 WeakPolarHBondContact O-CG2 3.2Å; N893-V895 PolarHBondContact O-N 2.84Å |
| 894 | G | 42.2 | Very low | 62 | Low | 77 Ų | 77 | 76.5 Ų | 76.5 | 79% | 0.794 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 57.4 | 13.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 895 | V | 43.7 | Very low | 61.6 | Low | 85 Ų | 85 | 76.6 Ų | 76.6 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | trans | -93.5 | 127.5 | 172.9 | -177.5 | 0 | 0 | 0 | 0 | 105.9 | N893 | N893-V895 WeakPolarHBondContact O-CG2 3.2Å; N893-V895 PolarHBondContact O-N 2.84Å | ||
| 896 | D | 49.2 | Very low | 61.2 | Low | 123 Ų | 123 | 77.9 Ų | 77.9 | 66% | 0.658 | 42% | 0.422 | S | S | * | . | trans | -50.3 | 159.4 | -177.8 | -63.7 | -51.9 | 0 | 0 | 0 | 112.6 | I898 | D896-I898 HydrophobicContact CB-CB 4.15Å; D896-I898 HydrophobicContact CB-CD1 3.8Å; D896-I898 HydrophobicContact CB-CG1 3.88Å; D896-I898 PolarHBondContact O-N 3.03Å | ||
| 897 | N | 58.3 | Low | 61 | Low | 85 Ų | 85 | 77.8 Ų | 77.8 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -65.5 | 44.8 | 170.7 | -75.6 | -37.2 | 0 | 0 | 0 | 112.2 | N923 | N897-N923 WeakPolarHBondContact O-CB 3.29Š|
| 898 | I | 64.8 | Low | 60.5 | Low | 76 Ų | 76 | 80.2 Ų | 80.2 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -133.1 | 138.9 | -170.6 | -60.4 | 176.1 | 0 | 0 | 0 | 106.1 | D896 S900 S922 | D896-I898 HydrophobicContact CB-CB 4.15Å; D896-I898 HydrophobicContact CB-CD1 3.8Å; D896-I898 HydrophobicContact CB-CG1 3.88Å; D896-I898 PolarHBondContact O-N 3.03Å; I898-S900 PolarHBondContact O-N 2.77Å; I898-S922 WeakPolarHBondContact CA-O 3.44Å; I898-S922 VanDerWaalsContact CG2-O 3.3Å; I898-S922 WeakPolarHBondContact CG2-O 3.31Å |
| 899 | L | 66.2 | Low | 60.5 | Low | 18 Ų | 18 | 74.9 Ų | 74.9 | 9% | 0.094 | 42% | 0.42 | C | S | . | . | trans | -62.6 | 133.1 | 172.5 | -66.8 | 166.1 | 0 | 0 | 0 | 109.1 | L886 E903 I905 S922 F959 | L886-L899 HydrophobicContact CD1-CD2 4.15Å; L886-L899 HydrophobicContact CD1-CG 4.25Å; L886-L899 HydrophobicContact CD2-CD2 4.22Å; L886-L899 HydrophobicContact CG-CD2 4.45Å; L899-E903 HydrophobicContact CB-CB 4.2Å; L899-E903 HydrophobicContact CD2-CB 4.22Å; L899-I905 HydrophobicContact CD1-CD1 3.71Å; L899-I905 HydrophobicContact CD1-CG1 3.98Å; L899-I905 HydrophobicContact CD2-CD1 4.45Å; L899-S922 PolarHBondContact N-O 3.37Å; L899-F959 HydrophobicContact CD2-CE1 4.39Å | ||
| 900 | S | 63.3 | Low | 60.9 | Low | 36 Ų | 36 | 78.9 Ų | 78.9 | 25% | 0.252 | 42% | 0.424 | S | S | . | . | trans | -57.2 | 156 | 172.7 | 175.9 | 0 | 0 | 0 | 0 | 111 | I898 S902 E903 | I898-S900 PolarHBondContact O-N 2.77Å; S900-S902 PolarHBondContact O-N 2.88Å; S900-S902 PolarHBondContact OG-N 3.15Å; S900-S902 PolarHBondContact OG-OG 3.4Å; S900-E903 VanDerWaalsContact CB-OE1 3.28Å; S900-E903 WeakPolarHBondContact CB-OE1 3.29Å; S900-E903 PolarHBondContact N-OE1 3.44Å; S900-E903 PolarHBondContact O-N 2.88Å | ||
| 901 | I | 60.6 | Low | 62.1 | Low | 162 Ų | 162 | 81.3 Ų | 81.3 | 83% | 0.831 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21.1 | 173.9 | -45.9 | 166.2 | 0 | 0 | 0 | 111.4 | Y904 | I901-Y904 PolarHBondContact O-OH 3.23Å; I901-Y904 VanDerWaalsContact O-OH 3.05Å |
| 902 | S | 64.1 | Low | 63.4 | Low | 16 Ų | 16 | 75.3 Ų | 75.3 | 11% | 0.112 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -7 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 115.3 | S900 Y904 C947 K948 N952 | S900-S902 PolarHBondContact O-N 2.88Å; S900-S902 PolarHBondContact OG-N 3.15Å; S900-S902 PolarHBondContact OG-OG 3.4Å; S902-Y904 WeakPolarHBondContact O-CE2 3.45Å; S902-C947 WeakPolarHBondContact O-CA 3.37Å; S902-K948 PolarHBondContact O-N 2.88Å; S902-N952 PolarHBondContact OG-ND2 3.2Å; S902-N952 VanDerWaalsContact OG-ND2 3.07Å |
| 903 | E | 73.3 | Confident | 64.4 | Low | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.019 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.7 | 177.5 | -68.9 | 176.4 | -97.4 | 0 | 0 | 110.7 | L899 S900 W945 C947 I954 R957 | L899-E903 HydrophobicContact CB-CB 4.2Å; L899-E903 HydrophobicContact CD2-CB 4.22Å; S900-E903 VanDerWaalsContact CB-OE1 3.28Å; S900-E903 WeakPolarHBondContact CB-OE1 3.29Å; S900-E903 PolarHBondContact N-OE1 3.44Å; S900-E903 PolarHBondContact O-N 2.88Å; E903-W945 PolarHBondContact OE2-NE1 2.74Å; E903-C947 HydrophobicContact CG-CB 4.37Å; E903-I954 HydrophobicContact CG-CD1 3.65Å; E903-I954 WeakPolarHBondContact OE1-CD1 3.33Å; E903-I954 WeakPolarHBondContact OE2-CD1 3.44Å; E903-R957 IonicContact OE1-CZ 2.98Å; E903-R957 IonicContact OE1-NE 3.82Å; E903-R957 IonicContact OE1-NH2 3.89Å; E903-R957 PolarHBondContact OE1-NH2 3.41Å; E903-R957 IonicContact OE2-CZ 3.78Å; E903-R957 IonicContact OE2-NE 2.79Å; E903-R957 PolarHBondContact OE2-NE 3.08Å; E903-R957 IonicContact OE2-NH2 3.37Å |
| 904 | Y | 74.8 | Confident | 65.6 | Low | 91 Ų | 91 | 71.6 Ų | 71.6 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.4 | 178.3 | -55.4 | -98.9 | 0 | 0 | 0 | 109.3 | I901 S902 W945 L946 K948 | I901-Y904 PolarHBondContact O-OH 3.23Å; I901-Y904 VanDerWaalsContact O-OH 3.05Å; S902-Y904 WeakPolarHBondContact O-CE2 3.45Å; Y904-W945 WeakPolarHBondContact O-CA 3.37Å; Y904-L946 HydrophobicContact CD2-CD1 3.68Å; Y904-L946 HydrophobicContact CG-CD1 4.08Å; Y904-L946 PolarHBondContact N-O 3.2Å; Y904-L946 PolarHBondContact O-N 2.89Å; Y904-K948 HydrophobicContact CE2-CD 4.42Å |
| 905 | I | 83.5 | Confident | 66.5 | Low | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.4 | 164.1 | -57.6 | 175.2 | 0 | 0 | 0 | 106.1 | I851 L899 F925 V943 Q944 F959 | I851-I905 HydrophobicContact CD1-CD1 4.43Å; I851-I905 HydrophobicContact CD1-CG1 4.45Å; I851-I905 HydrophobicContact CD1-CG2 4.04Å; L899-I905 HydrophobicContact CD1-CD1 3.71Å; L899-I905 HydrophobicContact CD1-CG1 3.98Å; L899-I905 HydrophobicContact CD2-CD1 4.45Å; I905-F925 HydrophobicContact CB-CB 4.35Å; I905-F925 HydrophobicContact CB-CD2 3.68Å; I905-F925 HydrophobicContact CB-CE2 4.11Å; I905-F925 HydrophobicContact CB-CG 4.19Å; I905-F925 HydrophobicContact CD1-CB 4.08Å; I905-F925 HydrophobicContact CG2-CB 3.85Å; I905-F925 HydrophobicContact CG2-CD1 4.05Å; I905-F925 HydrophobicContact CG2-CD2 3.44Å; I905-F925 VanDerWaalsContact CG2-CD2 3.44Å; I905-F925 HydrophobicContact CG2-CE1 4.34Å; I905-F925 HydrophobicContact CG2-CE2 3.79Å; I905-F925 HydrophobicContact CG2-CG 3.55Å; I905-F925 HydrophobicContact CG2-CZ 4.18Å; I905-F925 WeakPolarHBondContact O-CE2 3.5Å; I905-V943 HydrophobicContact CG2-CG1 3.29Å; I905-Q944 CarbonylContact C-O 3.55Å; I905-Q944 VanDerWaalsContact CA-O 3.32Å; I905-Q944 WeakPolarHBondContact CA-O 3.45Å; I905-F959 HydrophobicContact CD1-CD1 4.35Å; I905-F959 HydrophobicContact CD1-CE1 3.79Å; I905-F959 HydrophobicContact CG1-CE1 4.44Å |
| 906 | I | 78.8 | Confident | 67.7 | Low | 69 Ų | 69 | 68.6 Ų | 68.6 | 35% | 0.354 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 149.4 | -178.3 | 64.2 | 169.3 | 0 | 0 | 0 | 110.3 | Q944 L946 | I906-Q944 HydrophobicContact CD1-CB 4.48Å; I906-Q944 HydrophobicContact CG1-CB 3.88Å; I906-Q944 PolarHBondContact N-O 2.74Å; I906-Q944 PolarHBondContact O-N 3.27Å; I906-L946 HydrophobicContact CD1-CD2 3.37Å; I906-L946 HydrophobicContact CG1-CD2 3.74Å; I906-L946 HydrophobicContact CG2-CD2 4.03Å |
| 907 | L | 79.7 | Confident | 68.7 | Low | 17 Ų | 17 | 66.6 Ų | 66.6 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 124.2 | 167.6 | 176.5 | 59.4 | 0 | 0 | 0 | 106.7 | Y911 I912 V918 F925 I927 A939 H942 V943 | L907-Y911 HydrophobicContact CD1-CD2 4.21Å; L907-I912 HydrophobicContact CD2-CG1 3.91Å; L907-I912 HydrophobicContact CG-CG1 4.18Å; L907-V918 HydrophobicContact CD2-CG2 3.9Å; L907-F925 HydrophobicContact CB-CE1 3.88Å; L907-F925 HydrophobicContact CB-CZ 3.75Å; L907-I927 HydrophobicContact CD2-CD1 4.19Å; L907-A939 VanDerWaalsContact CD1-O 3.26Å; L907-A939 WeakPolarHBondContact CD1-O 2.9Å; L907-A939 HydrophobicContact CD2-CB 3.89Å; L907-H942 HydrophobicContact CD1-CB 3.86Å; L907-H942 WeakPolarHBondContact CD1-O 3.45Å; L907-V943 HydrophobicContact CB-CG2 4.49Å; L907-V943 HydrophobicContact CD1-CG2 4.25Å; L907-V943 HydrophobicContact CD2-CG2 4.46Å |
| 908 | N | 70.9 | Confident | 69.6 | Low | 65 Ų | 65 | 64.6 Ų | 64.6 | 35% | 0.348 | 33% | 0.327 | S | S | . | . | trans | -60.4 | 128.5 | 176.3 | 173.8 | -0.6 | 0 | 0 | 0 | 109.1 | E910 Y911 | N908-E910 PolarHBondContact ND2-OE2 2.99Å; N908-E910 PolarHBondContact O-N 2.84Å; N908-E910 VanDerWaalsContact O-N 3.07Å; N908-E910 PolarHBondContact OD1-N 2.83Å; N908-E910 VanDerWaalsContact OD1-N 3.08Å; N908-Y911 HydrophobicContact CB-CD2 3.72Å; N908-Y911 HydrophobicContact CB-CE2 3.79Å; N908-Y911 PolarHBondContact O-N 2.92Å | ||
| 909 | P | 65.5 | Low | 69.9 | Low | 97 Ų | 97 | 65.8 Ų | 65.8 | 63% | 0.63 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -52.1 | -26.6 | 178.4 | -28 | 34.2 | 0 | 0 | 0 | 115.5 | Y911 I912 | P909-Y911 PolarHBondContact O-N 3.11Å; P909-I912 WeakPolarHBondContact O-CB 3.25Å; P909-I912 PolarHBondContact O-N 3.07Å |
| 910 | E | 68.4 | Low | 70 | Confident | 139 Ų | 139 | 70.3 Ų | 70.3 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -60.8 | -25 | 177 | -68.1 | 178.7 | 148 | 0 | 0 | 113.5 | N908 K913 | N908-E910 PolarHBondContact ND2-OE2 2.99Å; N908-E910 PolarHBondContact O-N 2.84Å; N908-E910 VanDerWaalsContact O-N 3.07Å; N908-E910 PolarHBondContact OD1-N 2.83Å; N908-E910 VanDerWaalsContact OD1-N 3.08Å; E910-K913 WeakPolarHBondContact O-CE 3.16Å |
| 911 | Y | 72.2 | Confident | 70.3 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 29% | 0.286 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -89.4 | -6.5 | 176 | -55.1 | -64.1 | 0 | 0 | 0 | 113.2 | L907 N908 P909 K913 H942 | L907-Y911 HydrophobicContact CD1-CD2 4.21Å; N908-Y911 HydrophobicContact CB-CD2 3.72Å; N908-Y911 HydrophobicContact CB-CE2 3.79Å; N908-Y911 PolarHBondContact O-N 2.92Å; P909-Y911 PolarHBondContact O-N 3.11Å; Y911-K913 PolarHBondContact O-N 2.81Å; Y911-H942 HydrophobicContact CD1-CB 4.28Å; Y911-H942 AromaticContact CD1-CE1 3.93Å; Y911-H942 AromaticContact CD1-CG 3.79Å; Y911-H942 AromaticContact CD1-ND1 3.62Å; Y911-H942 HydrophobicContact CD2-CB 3.43Å; Y911-H942 VanDerWaalsContact CD2-CB 3.43Å; Y911-H942 AromaticContact CD2-CG 3.74Å; Y911-H942 HydrophobicContact CE1-CB 4.47Å; Y911-H942 AromaticContact CE1-CD2 3.63Å; Y911-H942 AromaticContact CE1-CE1 3.66Å; Y911-H942 AromaticContact CE1-CG 3.7Å; Y911-H942 AromaticContact CE1-ND1 3.73Å; Y911-H942 AromaticContact CE1-NE2 3.61Å; Y911-H942 HydrophobicContact CE2-CB 3.65Å; Y911-H942 AromaticContact CE2-CD2 3.66Å; Y911-H942 AromaticContact CE2-CG 3.65Å; Y911-H942 HydrophobicContact CG-CB 3.78Å; Y911-H942 AromaticContact CG-CG 3.81Å; Y911-H942 AromaticContact CG-ND1 3.96Å; Y911-H942 AromaticContact CZ-CD2 3.33Å; Y911-H942 AromaticContact CZ-CG 3.64Å; Y911-H942 AromaticContact CZ-NE2 3.73Å |
| 912 | I | 69.6 | Low | 70.3 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | trans | -87.9 | 89.8 | 176.1 | -54.9 | 178.6 | 0 | 0 | 0 | 107.8 | L907 P909 I916 V918 | L907-I912 HydrophobicContact CD2-CG1 3.91Å; L907-I912 HydrophobicContact CG-CG1 4.18Å; P909-I912 WeakPolarHBondContact O-CB 3.25Å; P909-I912 PolarHBondContact O-N 3.07Å; I912-I916 WeakPolarHBondContact CG2-O 3.48Å; I912-V918 HydrophobicContact CD1-CB 4.21Å; I912-V918 HydrophobicContact CD1-CG2 3.5Å; I912-V918 VanDerWaalsContact CD1-CG2 3.5Å; I912-V918 HydrophobicContact CG1-CG2 3.96Å | ||
| 913 | K | 63 | Low | 70.5 | Confident | 121 Ų | 121 | 71.2 Ų | 71.2 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | trans | -111.6 | 158.1 | -179.3 | -63.6 | -174.9 | 179.7 | -179.7 | 0 | 111.4 | E910 Y911 I916 | E910-K913 WeakPolarHBondContact O-CE 3.16Å; Y911-K913 PolarHBondContact O-N 2.81Å; K913-I916 WeakPolarHBondContact O-CG1 3.31Å | ||
| 914 | N | 65 | Low | 70.6 | Confident | 92 Ų | 92 | 71 Ų | 71 | 49% | 0.492 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 50.5 | 173 | -60.2 | -32.2 | 0 | 0 | 0 | 114.2 | I916 S931 S935 | N914-I916 PolarHBondContact O-N 3.18Å; N914-S931 VanDerWaalsContact CB-OG 3.3Å; N914-S931 WeakPolarHBondContact CB-OG 3.46Å; N914-S935 PolarHBondContact ND2-OG 2.98Å |
| 915 | D | 62 | Low | 70.9 | Confident | 91 Ų | 91 | 67 Ų | 67 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 11.4 | 173.3 | -54.6 | -46 | 0 | 0 | 0 | 116.4 | P162 | P162-D915 HydrophobicContact CB-CB 4.19Å; P162-D915 HydrophobicContact CG-CB 4.45Å |
| 916 | I | 67.9 | Low | 71 | Confident | 7 Ų | 7 | 68.7 Ų | 68.7 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | trans | -64.5 | 138.3 | 167.5 | -56.1 | 175.9 | 0 | 0 | 0 | 108.4 | I912 K913 N914 I927 S931 Y936 | I912-I916 WeakPolarHBondContact CG2-O 3.48Å; K913-I916 WeakPolarHBondContact O-CG1 3.31Å; N914-I916 PolarHBondContact O-N 3.18Å; I916-I927 HydrophobicContact CG2-CG2 3.19Å; I916-S931 VanDerWaalsContact CD1-CB 3.5Å; I916-S931 VanDerWaalsContact CG1-CB 3.44Å; I916-Y936 HydrophobicContact CD1-CD2 3.82Å; I916-Y936 HydrophobicContact CD1-CE2 3.78Å; I916-Y936 HydrophobicContact CD1-CG 4.29Å; I916-Y936 HydrophobicContact CG1-CE2 4.16Å | ||
| 917 | K | 71.2 | Confident | 71.4 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 157.1 | 173.9 | -67 | -178.2 | -178.6 | 178.5 | 0 | 110 | G163 F919 I927 H928 | G163-K917 VanDerWaalsContact CA-NZ 3.32Å; K917-F919 HydrophobicContact CB-CE2 3.78Å; K917-F919 HydrophobicContact CB-CZ 4.06Å; K917-F919 HydrophobicContact CD-CZ 4.34Å; K917-I927 CarbonylContact O-C 3.31Å; K917-I927 WeakPolarHBondContact O-CA 3.49Å; K917-H928 PolarHBondContact N-O 3.48Å; K917-H928 PolarHBondContact O-N 3.22Å |
| 918 | V | 77.2 | Confident | 71.6 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 26% | 0.261 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.7 | -177 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | L907 I912 F925 L926 | L907-V918 HydrophobicContact CD2-CG2 3.9Å; I912-V918 HydrophobicContact CD1-CB 4.21Å; I912-V918 HydrophobicContact CD1-CG2 3.5Å; I912-V918 VanDerWaalsContact CD1-CG2 3.5Å; I912-V918 HydrophobicContact CG1-CG2 3.96Å; V918-F925 HydrophobicContact CB-CZ 4.46Å; V918-F925 HydrophobicContact CG1-CD1 4.11Å; V918-F925 HydrophobicContact CG1-CD2 4.31Å; V918-F925 HydrophobicContact CG1-CE1 3.33Å; V918-F925 HydrophobicContact CG1-CE2 3.57Å; V918-F925 HydrophobicContact CG1-CZ 3.05Å; V918-L926 CarbonylContact C-O 3.41Å; V918-L926 WeakPolarHBondContact CA-O 3.12Å |
| 919 | F | 71.6 | Confident | 71.8 | Confident | 100 Ų | 100 | 63.7 Ų | 63.7 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.2 | 179 | -59 | -84.8 | 0 | 0 | 0 | 109 | K917 L926 H928 | K917-F919 HydrophobicContact CB-CE2 3.78Å; K917-F919 HydrophobicContact CB-CZ 4.06Å; K917-F919 HydrophobicContact CD-CZ 4.34Å; F919-L926 HydrophobicContact CB-CB 4.29Å; F919-L926 HydrophobicContact CB-CD2 4.5Å; F919-L926 HydrophobicContact CD2-CD2 4.22Å; F919-L926 HydrophobicContact CD2-CG 4.44Å; F919-L926 PolarHBondContact N-O 3.18Å; F919-L926 PolarHBondContact O-N 3.06Å; F919-H928 HydrophobicContact CD2-CB 4.3Å; F919-H928 HydrophobicContact CE2-CB 4.18Å |
| 920 | Q | 66.7 | Low | 72.2 | Confident | 114 Ų | 114 | 62.1 Ų | 62.1 | 53% | 0.533 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 129.2 | 170.8 | -167.8 | 170.5 | -8.7 | 0 | 0 | 109 | ||
| 921 | R | 69.4 | Low | 72.4 | Confident | 103 Ų | 103 | 55.8 Ų | 55.8 | 39% | 0.389 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 160.4 | 175.8 | -61.3 | 176.6 | 71 | -162.8 | 9.8 | 108.8 | D885 N923 G924 L926 | D885-R921 IonicContact OD1-NH1 3.69Å; D885-R921 PolarHBondContact OD1-NH1 2.87Å; D885-R921 IonicContact OD2-NH1 3.69Å; R921-N923 PolarHBondContact O-N 3.45Å; R921-G924 CarbonylContact C-O 3.56Å; R921-G924 WeakPolarHBondContact CA-O 3.38Å; R921-G924 PolarHBondContact N-O 2.97Å; R921-G924 PolarHBondContact O-N 3.24Å; R921-L926 HydrophobicContact CG-CB 4.39Å |
| 922 | S | 61.2 | Low | 72.5 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 59% | 0.587 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -31.5 | 177 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | I898 L899 | I898-S922 WeakPolarHBondContact CA-O 3.44Å; I898-S922 VanDerWaalsContact CG2-O 3.3Å; I898-S922 WeakPolarHBondContact CG2-O 3.31Å; L899-S922 PolarHBondContact N-O 3.37Å |
| 923 | N | 69 | Low | 72.8 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 14.4 | -176.2 | 68.4 | -37.7 | 0 | 0 | 0 | 113.7 | L886 N897 R921 | L886-N923 PolarHBondContact N-O 3.46Å; N897-N923 WeakPolarHBondContact O-CB 3.29Å; R921-N923 PolarHBondContact O-N 3.45Å |
| 924 | G | 74.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.1 | -160.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I884 R921 | I884-G924 CarbonylContact O-C 3.56Å; I884-G924 WeakPolarHBondContact O-CA 3.24Å; R921-G924 CarbonylContact C-O 3.56Å; R921-G924 WeakPolarHBondContact CA-O 3.38Å; R921-G924 PolarHBondContact N-O 2.97Å; R921-G924 PolarHBondContact O-N 3.24Å |
| 925 | F | 81.9 | Confident | 73.8 | Confident | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.022 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 120.4 | -171.5 | -159.5 | -107.4 | 0 | 0 | 0 | 108.9 | I884 I905 L907 V918 I927 V943 | I884-F925 HydrophobicContact CB-CB 4.19Å; I884-F925 HydrophobicContact CD1-CD1 4.44Å; I884-F925 PolarHBondContact N-O 2.73Å; I884-F925 PolarHBondContact O-N 2.95Å; I905-F925 HydrophobicContact CB-CB 4.35Å; I905-F925 HydrophobicContact CB-CD2 3.68Å; I905-F925 HydrophobicContact CB-CE2 4.11Å; I905-F925 HydrophobicContact CB-CG 4.19Å; I905-F925 HydrophobicContact CD1-CB 4.08Å; I905-F925 HydrophobicContact CG2-CB 3.85Å; I905-F925 HydrophobicContact CG2-CD1 4.05Å; I905-F925 HydrophobicContact CG2-CD2 3.44Å; I905-F925 VanDerWaalsContact CG2-CD2 3.44Å; I905-F925 HydrophobicContact CG2-CE1 4.34Å; I905-F925 HydrophobicContact CG2-CE2 3.79Å; I905-F925 HydrophobicContact CG2-CG 3.55Å; I905-F925 HydrophobicContact CG2-CZ 4.18Å; I905-F925 WeakPolarHBondContact O-CE2 3.5Å; L907-F925 HydrophobicContact CB-CE1 3.88Å; L907-F925 HydrophobicContact CB-CZ 3.75Å; V918-F925 HydrophobicContact CB-CZ 4.46Å; V918-F925 HydrophobicContact CG1-CD1 4.11Å; V918-F925 HydrophobicContact CG1-CD2 4.31Å; V918-F925 HydrophobicContact CG1-CE1 3.33Å; V918-F925 HydrophobicContact CG1-CE2 3.57Å; V918-F925 HydrophobicContact CG1-CZ 3.05Å; F925-I927 HydrophobicContact CD1-CD1 4.47Å; F925-I927 HydrophobicContact CD1-CG1 4.05Å; F925-I927 HydrophobicContact CE1-CD1 4.44Å; F925-I927 HydrophobicContact CE1-CG1 4.18Å; F925-V943 HydrophobicContact CD1-CG1 4.1Å; F925-V943 HydrophobicContact CD1-CG2 4.32Å; F925-V943 HydrophobicContact CE1-CG1 4.09Å; F925-V943 HydrophobicContact CE1-CG2 4.05Å |
| 926 | L | 84.8 | Confident | 75 | Confident | 39 Ų | 39 | 40.6 Ų | 40.6 | 20% | 0.204 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.6 | -179.5 | 169.2 | 67.7 | 0 | 0 | 0 | 109.5 | T883 V918 F919 R921 H928 | T883-L926 HydrophobicContact CG2-CD1 3.62Å; V918-L926 CarbonylContact C-O 3.41Å; V918-L926 WeakPolarHBondContact CA-O 3.12Å; F919-L926 HydrophobicContact CB-CB 4.29Å; F919-L926 HydrophobicContact CB-CD2 4.5Å; F919-L926 HydrophobicContact CD2-CD2 4.22Å; F919-L926 HydrophobicContact CD2-CG 4.44Å; F919-L926 PolarHBondContact N-O 3.18Å; F919-L926 PolarHBondContact O-N 3.06Å; R921-L926 HydrophobicContact CG-CB 4.39Å; L926-H928 HydrophobicContact CD1-CB 4.21Å; L926-H928 HydrophobicContact CD2-CB 4.29Å; L926-H928 HydrophobicContact CG-CB 4.02Å |
| 927 | I | 87.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.5 | 168.9 | -55.3 | -176.9 | 0 | 0 | 0 | 106.2 | S881 C882 L907 I916 K917 F925 Y936 A939 L940 V943 | S881-I927 CarbonylContact C-O 3.59Å; S881-I927 VanDerWaalsContact CA-O 3.24Å; S881-I927 WeakPolarHBondContact CA-O 3.39Å; C882-I927 PolarHBondContact N-O 3.14Å; C882-I927 PolarHBondContact O-N 3.07Å; L907-I927 HydrophobicContact CD2-CD1 4.19Å; I916-I927 HydrophobicContact CG2-CG2 3.19Å; K917-I927 CarbonylContact O-C 3.31Å; K917-I927 WeakPolarHBondContact O-CA 3.49Å; F925-I927 HydrophobicContact CD1-CD1 4.47Å; F925-I927 HydrophobicContact CD1-CG1 4.05Å; F925-I927 HydrophobicContact CE1-CD1 4.44Å; F925-I927 HydrophobicContact CE1-CG1 4.18Å; I927-Y936 HydrophobicContact CB-CE1 4.16Å; I927-Y936 HydrophobicContact CG2-CD1 3.99Å; I927-Y936 HydrophobicContact CG2-CE1 3.63Å; I927-A939 HydrophobicContact CD1-CB 4.08Å; I927-A939 HydrophobicContact CG2-CB 4.48Å; I927-L940 HydrophobicContact CD1-CD2 3.76Å; I927-L940 HydrophobicContact CD1-CG 4.34Å; I927-V943 HydrophobicContact CD1-CG2 3.99Å |
| 928 | H | 83.4 | Confident | 76.2 | Confident | 40 Ų | 40 | 40.7 Ų | 40.7 | 19% | 0.185 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 133.2 | -169.9 | 174.7 | -81 | 0 | 0 | 0 | 112.1 | K917 F919 L926 | K917-H928 PolarHBondContact N-O 3.48Å; K917-H928 PolarHBondContact O-N 3.22Å; F919-H928 HydrophobicContact CD2-CB 4.3Å; F919-H928 HydrophobicContact CE2-CB 4.18Å; L926-H928 HydrophobicContact CD1-CB 4.21Å; L926-H928 HydrophobicContact CD2-CB 4.29Å; L926-H928 HydrophobicContact CG-CB 4.02Å |
| 929 | G | 75 | Confident | 76.6 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148 | 144 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I879 S880 S931 Y936 | I879-G929 VanDerWaalsContact O-O 3.11Å; S880-G929 PolarHBondContact O-N 3.01Å; G929-S931 PolarHBondContact O-N 3.26Å; G929-S931 VanDerWaalsContact O-N 3.15Å; G929-Y936 PolarHBondContact N-OH 2.94Å; G929-Y936 VanDerWaalsContact O-CE2 3.26Å; G929-Y936 WeakPolarHBondContact O-CE2 3.03Å; G929-Y936 VanDerWaalsContact O-CZ 3.32Å; G929-Y936 PolarHBondContact O-OH 3.22Å |
| 930 | S | 74.8 | Confident | 77.6 | Confident | 64 Ų | 64 | 33.9 Ų | 33.9 | 45% | 0.448 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 109 | -176 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | T878 I879 | T878-S930 WeakPolarHBondContact CB-OG 3.45Å; T878-S930 PolarHBondContact OG1-OG 3.36Å; T878-S930 VanDerWaalsContact OG1-OG 3.09Å; I879-S930 WeakPolarHBondContact O-CA 3.29Å |
| 931 | S | 73.6 | Confident | 78.6 | Confident | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 164.6 | -177.2 | -166.9 | 0 | 0 | 0 | 0 | 112.7 | T878 I879 N914 I916 G929 S935 | T878-S931 CarbonylContact C-O 3.57Å; T878-S931 WeakPolarHBondContact CA-O 3.18Å; I879-S931 PolarHBondContact N-O 3.41Å; I879-S931 PolarHBondContact O-N 3Å; N914-S931 VanDerWaalsContact CB-OG 3.3Å; N914-S931 WeakPolarHBondContact CB-OG 3.46Å; I916-S931 VanDerWaalsContact CD1-CB 3.5Å; I916-S931 VanDerWaalsContact CG1-CB 3.44Å; G929-S931 PolarHBondContact O-N 3.26Å; G929-S931 VanDerWaalsContact O-N 3.15Å; S931-S935 WeakPolarHBondContact OG-CB 3.18Å; S931-S935 PolarHBondContact OG-OG 3.13Å |
| 932 | G | 72.4 | Confident | 79.5 | Confident | 29 Ų | 29 | 28.5 Ų | 28.5 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | trans | -68.3 | 161.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L934 S935 Y936 | G932-L934 VanDerWaalsContact C-N 3.28Å; G932-L934 PolarHBondContact O-N 3.49Å; G932-S935 PolarHBondContact O-N 2.85Å; G932-S935 VanDerWaalsContact O-N 3.08Å; G932-Y936 PolarHBondContact O-N 2.84Å | ||
| 933 | V | 77.5 | Confident | 80.8 | Confident | 32 Ų | 32 | 24.5 Ų | 24.5 | 19% | 0.194 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -51.8 | -45 | -179.5 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | I857 W859 I879 S935 Y936 M937 | I857-V933 HydrophobicContact CB-CG1 3.69Å; I857-V933 HydrophobicContact CG2-CG1 3.89Å; I857-V933 VanDerWaalsContact O-CG1 3.23Å; I857-V933 WeakPolarHBondContact O-CG1 3.32Å; W859-V933 VanDerWaalsContact NE1-CG2 3.34Å; I879-V933 HydrophobicContact CD1-CB 4.37Å; I879-V933 HydrophobicContact CD1-CG1 4.5Å; I879-V933 HydrophobicContact CD1-CG2 4.16Å; I879-V933 HydrophobicContact CG1-CG2 4.45Å; V933-S935 VanDerWaalsContact C-N 3.32Å; V933-S935 PolarHBondContact O-N 3.42Å; V933-Y936 PolarHBondContact O-N 3.03Å; V933-M937 WeakPolarHBondContact O-CB 3.46Å; V933-M937 PolarHBondContact O-N 2.03Å |
| 934 | L | 71.4 | Confident | 81.6 | Confident | 40 Ų | 40 | 24.2 Ų | 24.2 | 21% | 0.209 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.6 | -35 | -178.9 | -175.5 | 62 | 0 | 0 | 0 | 113.2 | S747 G932 M937 N938 | S747-L934 WeakPolarHBondContact OG-CD2 3.37Å; G932-L934 VanDerWaalsContact C-N 3.28Å; G932-L934 PolarHBondContact O-N 3.49Å; L934-M937 HydrophobicContact CD1-CE 3.39Å; L934-M937 PolarHBondContact O-N 2.87Å; L934-N938 WeakPolarHBondContact O-CB 3.34Å; L934-N938 PolarHBondContact O-N 3.5Å |
| 935 | S | 77.6 | Confident | 82.1 | Confident | 13 Ų | 13 | 24.2 Ų | 24.2 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 179.8 | -60.5 | 0 | 0 | 0 | 0 | 111 | N914 S931 G932 V933 A939 | N914-S935 PolarHBondContact ND2-OG 2.98Å; S931-S935 WeakPolarHBondContact OG-CB 3.18Å; S931-S935 PolarHBondContact OG-OG 3.13Å; G932-S935 PolarHBondContact O-N 2.85Å; G932-S935 VanDerWaalsContact O-N 3.08Å; V933-S935 VanDerWaalsContact C-N 3.32Å; V933-S935 PolarHBondContact O-N 3.42Å; S935-A939 WeakPolarHBondContact O-CB 3.14Å; S935-A939 PolarHBondContact O-N 3.27Å |
| 936 | Y | 86.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.2 | -40 | 173.6 | -87.8 | -84.5 | 0 | 0 | 0 | 112.7 | I879 S880 S881 C882 I916 I927 G929 G932 V933 A939 L940 | I879-Y936 HydrophobicContact CB-CD2 3.48Å; I879-Y936 VanDerWaalsContact CB-CD2 3.48Å; I879-Y936 HydrophobicContact CB-CE2 3.65Å; I879-Y936 HydrophobicContact CB-CG 4.03Å; I879-Y936 HydrophobicContact CD1-CD2 4.27Å; I879-Y936 HydrophobicContact CD1-CG 4.21Å; I879-Y936 HydrophobicContact CG1-CD2 4.41Å; I879-Y936 HydrophobicContact CG2-CD1 3.93Å; I879-Y936 HydrophobicContact CG2-CD2 3.58Å; I879-Y936 HydrophobicContact CG2-CE1 3.95Å; I879-Y936 HydrophobicContact CG2-CE2 3.62Å; I879-Y936 HydrophobicContact CG2-CG 3.71Å; I879-Y936 WeakPolarHBondContact O-CE2 3.23Å; S880-Y936 PolarHBondContact O-OH 3.42Å; S881-Y936 WeakPolarHBondContact CA-OH 3.03Å; S881-Y936 PolarHBondContact N-OH 2.69Å; C882-Y936 HydrophobicContact CB-CD1 3.83Å; C882-Y936 HydrophobicContact CB-CE1 3.98Å; C882-Y936 WeakPolarHBondContact SG-CD1 3.39Å; I916-Y936 HydrophobicContact CD1-CD2 3.82Å; I916-Y936 HydrophobicContact CD1-CE2 3.78Å; I916-Y936 HydrophobicContact CD1-CG 4.29Å; I916-Y936 HydrophobicContact CG1-CE2 4.16Å; I927-Y936 HydrophobicContact CB-CE1 4.16Å; I927-Y936 HydrophobicContact CG2-CD1 3.99Å; I927-Y936 HydrophobicContact CG2-CE1 3.63Å; G929-Y936 PolarHBondContact N-OH 2.94Å; G929-Y936 VanDerWaalsContact O-CE2 3.26Å; G929-Y936 WeakPolarHBondContact O-CE2 3.03Å; G929-Y936 VanDerWaalsContact O-CZ 3.32Å; G929-Y936 PolarHBondContact O-OH 3.22Å; G932-Y936 PolarHBondContact O-N 2.84Å; V933-Y936 PolarHBondContact O-N 3.03Å; Y936-A939 PolarHBondContact O-N 3Å; Y936-L940 WeakPolarHBondContact O-CB 3.49Å; Y936-L940 VanDerWaalsContact O-CG 3.24Å; Y936-L940 WeakPolarHBondContact O-CG 3.46Å; Y936-L940 PolarHBondContact O-N 3.28Å |
| 937 | M | 82.4 | Confident | 81.6 | Confident | 30 Ų | 30 | 23.4 Ų | 23.4 | 15% | 0.148 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 176.4 | -175.5 | 171.9 | 61.3 | 0 | 0 | 111 | T856 I857 V933 L934 L940 K941 | T856-M937 HydrophobicContact CG2-SD 4.1Å; I857-M937 HydrophobicContact CD1-CB 4.35Å; V933-M937 WeakPolarHBondContact O-CB 3.46Å; V933-M937 PolarHBondContact O-N 2.03Å; L934-M937 HydrophobicContact CD1-CE 3.39Å; L934-M937 PolarHBondContact O-N 2.87Å; M937-L940 PolarHBondContact O-N 2.88Å; M937-K941 HydrophobicContact CG-CD 4.24Å; M937-K941 WeakPolarHBondContact O-CB 3.16Å; M937-K941 VanDerWaalsContact O-CG 3.25Å; M937-K941 WeakPolarHBondContact O-CG 3.22Å; M937-K941 PolarHBondContact O-N 3.25Å |
| 938 | N | 82.3 | Confident | 80.6 | Confident | 60 Ų | 60 | 31 Ų | 31 | 32% | 0.321 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 176.9 | -78.1 | -19.7 | 0 | 0 | 0 | 112.3 | L934 H942 | L934-N938 WeakPolarHBondContact O-CB 3.34Å; L934-N938 PolarHBondContact O-N 3.5Å; N938-H942 PolarHBondContact O-N 3.37Å; N938-H942 PolarHBondContact O-ND1 2.82Å |
| 939 | A | 86 | Confident | 79.8 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -49.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L907 I927 S935 Y936 K941 H942 V943 | L907-A939 VanDerWaalsContact CD1-O 3.26Å; L907-A939 WeakPolarHBondContact CD1-O 2.9Å; L907-A939 HydrophobicContact CD2-CB 3.89Å; I927-A939 HydrophobicContact CD1-CB 4.08Å; I927-A939 HydrophobicContact CG2-CB 4.48Å; S935-A939 WeakPolarHBondContact O-CB 3.14Å; S935-A939 PolarHBondContact O-N 3.27Å; Y936-A939 PolarHBondContact O-N 3Å; A939-K941 PolarHBondContact O-N 2.8Å; A939-H942 PolarHBondContact O-N 2.74Å; A939-V943 WeakPolarHBondContact O-CG2 3.5Å; A939-V943 PolarHBondContact O-N 2.8Å |
| 940 | L | 90.9 | Very high | 78.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -37.2 | -178.4 | -69.9 | 172.8 | 0 | 0 | 0 | 113.3 | I855 I857 C882 I884 I927 Y936 M937 H942 V943 V961 | I855-L940 HydrophobicContact CD1-CD1 4.09Å; I855-L940 HydrophobicContact CG2-CB 3.73Å; I857-L940 HydrophobicContact CD1-CD1 3.96Å; C882-L940 HydrophobicContact CB-CD1 4.17Å; C882-L940 HydrophobicContact CB-CD2 4.15Å; I884-L940 HydrophobicContact CD1-CD2 3.79Å; I884-L940 HydrophobicContact CG1-CD2 4.05Å; I927-L940 HydrophobicContact CD1-CD2 3.76Å; I927-L940 HydrophobicContact CD1-CG 4.34Å; Y936-L940 WeakPolarHBondContact O-CB 3.49Å; Y936-L940 VanDerWaalsContact O-CG 3.24Å; Y936-L940 WeakPolarHBondContact O-CG 3.46Å; Y936-L940 PolarHBondContact O-N 3.28Å; M937-L940 PolarHBondContact O-N 2.88Å; L940-H942 PolarHBondContact O-N 2.82Å; L940-V943 PolarHBondContact O-N 2.76Å; L940-V961 HydrophobicContact CD1-CG2 4.14Å; L940-V961 HydrophobicContact CD2-CG2 3.85Å |
| 941 | K | 89.2 | Confident | 78 | Confident | 56 Ų | 56 | 45 Ų | 45 | 24% | 0.243 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -27.5 | 176.4 | -74.8 | -178.5 | 178.4 | 179.7 | 0 | 113 | P853 I855 M937 A939 | P853-K941 WeakPolarHBondContact O-CG 3.49Å; I855-K941 HydrophobicContact CG2-CG 3.86Å; I855-K941 WeakPolarHBondContact O-CE 3.36Å; M937-K941 HydrophobicContact CG-CD 4.24Å; M937-K941 WeakPolarHBondContact O-CB 3.16Å; M937-K941 VanDerWaalsContact O-CG 3.25Å; M937-K941 WeakPolarHBondContact O-CG 3.22Å; M937-K941 PolarHBondContact O-N 3.25Å; A939-K941 PolarHBondContact O-N 2.8Å |
| 942 | H | 87.7 | Confident | 77.5 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 22% | 0.218 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 11 | -174.9 | -61.3 | 92.8 | 0 | 0 | 0 | 114.2 | Y850 L907 Y911 N938 A939 L940 Q944 | Y850-H942 HydrophobicContact CE1-CB 4.37Å; L907-H942 HydrophobicContact CD1-CB 3.86Å; L907-H942 WeakPolarHBondContact CD1-O 3.45Å; Y911-H942 HydrophobicContact CD1-CB 4.28Å; Y911-H942 AromaticContact CD1-CE1 3.93Å; Y911-H942 AromaticContact CD1-CG 3.79Å; Y911-H942 AromaticContact CD1-ND1 3.62Å; Y911-H942 HydrophobicContact CD2-CB 3.43Å; Y911-H942 VanDerWaalsContact CD2-CB 3.43Å; Y911-H942 AromaticContact CD2-CG 3.74Å; Y911-H942 HydrophobicContact CE1-CB 4.47Å; Y911-H942 AromaticContact CE1-CD2 3.63Å; Y911-H942 AromaticContact CE1-CE1 3.66Å; Y911-H942 AromaticContact CE1-CG 3.7Å; Y911-H942 AromaticContact CE1-ND1 3.73Å; Y911-H942 AromaticContact CE1-NE2 3.61Å; Y911-H942 HydrophobicContact CE2-CB 3.65Å; Y911-H942 AromaticContact CE2-CD2 3.66Å; Y911-H942 AromaticContact CE2-CG 3.65Å; Y911-H942 HydrophobicContact CG-CB 3.78Å; Y911-H942 AromaticContact CG-CG 3.81Å; Y911-H942 AromaticContact CG-ND1 3.96Å; Y911-H942 AromaticContact CZ-CD2 3.33Å; Y911-H942 AromaticContact CZ-CG 3.64Å; Y911-H942 AromaticContact CZ-NE2 3.73Å; N938-H942 PolarHBondContact O-N 3.37Å; N938-H942 PolarHBondContact O-ND1 2.82Å; A939-H942 PolarHBondContact O-N 2.74Å; L940-H942 PolarHBondContact O-N 2.82Å; H942-Q944 PolarHBondContact O-N 3.15Å |
| 943 | V | 89.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 122.8 | 171 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | Y850 I851 I884 I905 L907 F925 I927 A939 L940 | Y850-V943 WeakPolarHBondContact CA-O 3.36Å; I851-V943 HydrophobicContact CD1-CG1 3.78Å; I851-V943 HydrophobicContact CG1-CG1 4.34Å; I851-V943 PolarHBondContact N-O 2.95Å; I884-V943 HydrophobicContact CD1-CB 4.07Å; I884-V943 HydrophobicContact CD1-CG1 3.87Å; I884-V943 HydrophobicContact CD1-CG2 3.84Å; I905-V943 HydrophobicContact CG2-CG1 3.29Å; L907-V943 HydrophobicContact CB-CG2 4.49Å; L907-V943 HydrophobicContact CD1-CG2 4.25Å; L907-V943 HydrophobicContact CD2-CG2 4.46Å; F925-V943 HydrophobicContact CD1-CG1 4.1Å; F925-V943 HydrophobicContact CD1-CG2 4.32Å; F925-V943 HydrophobicContact CE1-CG1 4.09Å; F925-V943 HydrophobicContact CE1-CG2 4.05Å; I927-V943 HydrophobicContact CD1-CG2 3.99Å; A939-V943 WeakPolarHBondContact O-CG2 3.5Å; A939-V943 PolarHBondContact O-N 2.8Å; L940-V943 PolarHBondContact O-N 2.76Å |
| 944 | Q | 84 | Confident | 76.9 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 140.3 | 179.3 | -65.6 | 177.2 | -34.6 | 0 | 0 | 111.3 | V849 Y850 I905 I906 H942 | V849-Q944 CarbonylContact O-C 3.51Å; V849-Q944 VanDerWaalsContact O-CA 3.31Å; V849-Q944 WeakPolarHBondContact O-CA 3.45Å; Y850-Q944 HydrophobicContact CD1-CG 3.36Å; Y850-Q944 HydrophobicContact CE1-CG 3.33Å; Y850-Q944 VanDerWaalsContact CE1-NE2 3.27Å; Y850-Q944 HydrophobicContact CG-CG 4.17Å; Y850-Q944 PolarHBondContact OH-NE2 2.72Å; I905-Q944 CarbonylContact C-O 3.55Å; I905-Q944 VanDerWaalsContact CA-O 3.32Å; I905-Q944 WeakPolarHBondContact CA-O 3.45Å; I906-Q944 HydrophobicContact CD1-CB 4.48Å; I906-Q944 HydrophobicContact CG1-CB 3.88Å; I906-Q944 PolarHBondContact N-O 2.74Å; I906-Q944 PolarHBondContact O-N 3.27Å; H942-Q944 PolarHBondContact O-N 3.15Å |
| 945 | W | 86.9 | Confident | 77.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.1 | 167.6 | 169.2 | 52.4 | 0 | 0 | 0 | 109.6 | L840 L845 G848 V849 I851 E903 Y904 I954 R957 F959 F989 I991 | L840-W945 HydrophobicContact CD1-CZ3 4.3Å; L845-W945 HydrophobicContact CD1-CD2 3.74Å; L845-W945 HydrophobicContact CD1-CE3 3.61Å; L845-W945 HydrophobicContact CD1-CH2 3.7Å; L845-W945 HydrophobicContact CD1-CZ2 3.76Å; L845-W945 HydrophobicContact CD1-CZ3 3.61Å; L845-W945 HydrophobicContact CD2-CH2 4.3Å; L845-W945 HydrophobicContact CD2-CZ2 4.23Å; G848-W945 WeakPolarHBondContact CA-O 3.44Å; V849-W945 PolarHBondContact N-O 3.24Å; V849-W945 PolarHBondContact O-N 2.87Å; I851-W945 HydrophobicContact CD1-CB 3.93Å; I851-W945 HydrophobicContact CG1-CB 3.86Å; E903-W945 PolarHBondContact OE2-NE1 2.74Å; Y904-W945 WeakPolarHBondContact O-CA 3.37Å; W945-I954 HydrophobicContact CH2-CG2 4.34Å; W945-I954 HydrophobicContact CZ2-CD1 4.35Å; W945-I954 HydrophobicContact CZ2-CG2 4.39Å; W945-R957 HydrophobicContact CH2-CB 3.52Å; W945-R957 HydrophobicContact CH2-CG 3.34Å; W945-R957 HydrophobicContact CZ2-CB 3.96Å; W945-R957 HydrophobicContact CZ2-CG 3.36Å; W945-R957 HydrophobicContact CZ3-CB 3.98Å; W945-R957 HydrophobicContact CZ3-CG 4.27Å; W945-F959 HydrophobicContact CB-CE2 4.28Å; W945-F959 HydrophobicContact CB-CZ 4.11Å; W945-F959 AromaticContact CD1-CZ 3.87Å; W945-F959 AromaticContact CD2-CE2 3.74Å; W945-F959 HydrophobicContact CD2-CE2 3.74Å; W945-F959 AromaticContact CD2-CZ 3.72Å; W945-F959 HydrophobicContact CD2-CZ 3.72Å; W945-F959 AromaticContact CE3-CE2 3.76Å; W945-F959 HydrophobicContact CE3-CE2 3.76Å; W945-F959 HydrophobicContact CE3-CZ 4.23Å; W945-F959 AromaticContact CG-CE2 3.98Å; W945-F959 HydrophobicContact CG-CE2 3.98Å; W945-F959 AromaticContact CG-CZ 3.64Å; W945-F959 HydrophobicContact CG-CZ 3.64Å; W945-F959 HydrophobicContact CZ3-CE2 4.32Å; W945-F989 HydrophobicContact CE3-CD2 4.21Å; W945-F989 HydrophobicContact CE3-CG 4.35Å; W945-F989 HydrophobicContact CZ3-CB 3.79Å; W945-F989 HydrophobicContact CZ3-CD2 4.15Å; W945-F989 AromaticContact CZ3-CG 4Å; W945-F989 HydrophobicContact CZ3-CG 4Å; W945-I991 HydrophobicContact CH2-CD1 3.57Å; W945-I991 HydrophobicContact CZ2-CD1 4.41Å; W945-I991 HydrophobicContact CZ3-CD1 4.29Å |
| 946 | L | 80.7 | Confident | 77.2 | Confident | 19 Ų | 19 | 54.1 Ų | 54.1 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148.8 | 178.6 | 67 | 96.9 | 0 | 0 | 0 | 110.9 | L845 Y904 I906 K948 | L845-L946 WeakPolarHBondContact O-CA 3.5Å; Y904-L946 HydrophobicContact CD2-CD1 3.68Å; Y904-L946 HydrophobicContact CG-CD1 4.08Å; Y904-L946 PolarHBondContact N-O 3.2Å; Y904-L946 PolarHBondContact O-N 2.89Å; I906-L946 HydrophobicContact CD1-CD2 3.37Å; I906-L946 HydrophobicContact CG1-CD2 3.74Å; I906-L946 HydrophobicContact CG2-CD2 4.03Å; L946-K948 HydrophobicContact CD1-CG 3.96Å |
| 947 | C | 75.5 | Confident | 77.1 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 119.5 | 173.3 | -178.6 | 0 | 0 | 0 | 0 | 109 | L845 S902 E903 N952 | L845-C947 HydrophobicContact CD1-CB 4.43Å; L845-C947 HydrophobicContact CD2-CB 3.46Å; L845-C947 VanDerWaalsContact CD2-CB 3.46Å; L845-C947 HydrophobicContact CG-CB 3.67Å; L845-C947 PolarHBondContact O-N 3.28Å; L845-C947 VanDerWaalsContact O-N 3.14Å; S902-C947 WeakPolarHBondContact O-CA 3.37Å; E903-C947 HydrophobicContact CG-CB 4.37Å; C947-N952 PolarHBondContact SG-ND2 2.59Å; C947-N952 VanDerWaalsContact SG-ND2 3.36Å |
| 948 | K | 65.3 | Low | 77.3 | Confident | 160 Ų | 160 | 54.5 Ų | 54.5 | 70% | 0.696 | 27% | 0.265 | S | S | * | . | trans | -83.9 | -15.4 | -177.9 | -76.2 | -172.6 | 175.7 | -179.7 | 0 | 114.1 | S902 Y904 L946 | S902-K948 PolarHBondContact O-N 2.88Å; Y904-K948 HydrophobicContact CE2-CD 4.42Å; L946-K948 HydrophobicContact CD1-CG 3.96Å | ||
| 949 | D | 66 | Low | 77.7 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 35% | 0.348 | 25% | 0.25 | S | C | . | . | trans | -88.8 | 114.4 | -174.5 | 180 | 14 | 0 | 0 | 0 | 112.4 | Q951 N952 | D949-Q951 PolarHBondContact O-N 2.91Å; D949-Q951 WeakPolarHBondContact OD1-CA 3.28Å; D949-Q951 WeakPolarHBondContact OD1-CB 3.47Å; D949-Q951 PolarHBondContact OD1-N 2.96Å; D949-N952 HydrophobicContact CB-CB 4.09Å; D949-N952 WeakPolarHBondContact O-CB 2.99Å; D949-N952 PolarHBondContact O-N 3.15Å | ||
| 950 | E | 57.7 | Low | 77.9 | Confident | 171 Ų | 171 | 53.5 Ų | 53.5 | 80% | 0.799 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -15.1 | 175 | -67.6 | -171.1 | 172.1 | 0 | 0 | 113.4 | K842 | K842-E950 VanDerWaalsContact CE-O 3.27Å; K842-E950 WeakPolarHBondContact CE-O 3.46Å; K842-E950 PolarHBondContact NZ-O 3.19Å |
| 951 | Q | 55.5 | Low | 78 | Confident | 169 Ų | 169 | 53.5 Ų | 53.5 | 79% | 0.79 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 0.3 | 176.4 | -64 | -170.5 | -5.4 | 0 | 0 | 113.4 | D949 N953 | D949-Q951 PolarHBondContact O-N 2.91Å; D949-Q951 WeakPolarHBondContact OD1-CA 3.28Å; D949-Q951 WeakPolarHBondContact OD1-CB 3.47Å; D949-Q951 PolarHBondContact OD1-N 2.96Å; Q951-N953 PolarHBondContact O-N 2.91Å |
| 952 | N | 62.3 | Low | 78.1 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | trans | -70.4 | 131.4 | -179.6 | -151 | -9.6 | 0 | 0 | 0 | 111.1 | K842 S902 C947 D949 I954 | K842-N952 PolarHBondContact NZ-O 2.93Å; S902-N952 PolarHBondContact OG-ND2 3.2Å; S902-N952 VanDerWaalsContact OG-ND2 3.07Å; C947-N952 PolarHBondContact SG-ND2 2.59Å; C947-N952 VanDerWaalsContact SG-ND2 3.36Å; D949-N952 HydrophobicContact CB-CB 4.09Å; D949-N952 WeakPolarHBondContact O-CB 2.99Å; D949-N952 PolarHBondContact O-N 3.15Å; N952-I954 VanDerWaalsContact C-N 3.31Å; N952-I954 HydrophobicContact CB-CG1 4.39Å; N952-I954 WeakPolarHBondContact ND2-CD1 3.3Å; N952-I954 PolarHBondContact O-N 3.44Å; N952-I954 WeakPolarHBondContact OD1-CG1 3.28Å | ||
| 953 | N | 64.9 | Low | 78.4 | Confident | 122 Ų | 122 | 50.2 Ų | 50.2 | 65% | 0.652 | 25% | 0.249 | S | C | * | . | trans | -94.5 | 37.1 | -176.5 | -76 | -17.6 | 0 | 0 | 0 | 112.2 | Q951 S955 | Q951-N953 PolarHBondContact O-N 2.91Å; N953-S955 PolarHBondContact O-N 3.13Å | ||
| 954 | I | 73.6 | Confident | 78.2 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | trans | -76.5 | 109 | 178.3 | -55.6 | 174.7 | 0 | 0 | 0 | 108.5 | E903 W945 N952 R957 I991 | E903-I954 HydrophobicContact CG-CD1 3.65Å; E903-I954 WeakPolarHBondContact OE1-CD1 3.33Å; E903-I954 WeakPolarHBondContact OE2-CD1 3.44Å; W945-I954 HydrophobicContact CH2-CG2 4.34Å; W945-I954 HydrophobicContact CZ2-CD1 4.35Å; W945-I954 HydrophobicContact CZ2-CG2 4.39Å; N952-I954 VanDerWaalsContact C-N 3.31Å; N952-I954 HydrophobicContact CB-CG1 4.39Å; N952-I954 WeakPolarHBondContact ND2-CD1 3.3Å; N952-I954 PolarHBondContact O-N 3.44Å; N952-I954 WeakPolarHBondContact OD1-CG1 3.28Å; I954-R957 HydrophobicContact CG2-CG 3.62Å; I954-I991 HydrophobicContact CB-CD1 4.04Å; I954-I991 HydrophobicContact CG2-CD1 3.62Å; I954-I991 WeakPolarHBondContact O-CB 3.4Å; I954-I991 WeakPolarHBondContact O-CD1 3.31Å | ||
| 955 | S | 76 | Confident | 78.1 | Confident | 69 Ų | 69 | 50.7 Ų | 50.7 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | trans | -91.4 | -24.3 | 173.6 | 58 | 0 | 0 | 0 | 0 | 113 | N953 I991 | N953-S955 PolarHBondContact O-N 3.13Å; S955-I991 PolarHBondContact O-N 3.12Å | ||
| 956 | R | 78.7 | Confident | 77 | Confident | 81 Ų | 81 | 52.1 Ų | 52.1 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 142.4 | -174.6 | -174.6 | -175.1 | -179.3 | -131.2 | 8.1 | 111.1 | D890 E988 F989 Y990 | D890-R956 IonicContact OD1-NH1 2.98Å; D890-R956 PolarHBondContact OD1-NH1 3.41Å; R956-E988 HydrophobicContact CG-CG 4.35Å; R956-E988 IonicContact CZ-OE1 3.5Å; R956-E988 IonicContact CZ-OE2 3.8Å; R956-E988 VanDerWaalsContact NE-CD 3.28Å; R956-E988 IonicContact NE-OE1 2.7Å; R956-E988 PolarHBondContact NE-OE1 2.98Å; R956-E988 IonicContact NE-OE2 2.88Å; R956-E988 IonicContact NH2-OE1 3.83Å; R956-E988 PolarHBondContact NH2-OE1 2.92Å; R956-E988 IonicContact NH2-OE2 3.42Å; R956-E988 PolarHBondContact NH2-OE2 3.48Å; R956-F989 CarbonylContact C-O 3.56Å; R956-F989 WeakPolarHBondContact CA-O 3.32Å; R956-Y990 HydrophobicContact CG-CD1 4.39Å; R956-Y990 HydrophobicContact CG-CE1 4.29Å |
| 957 | R | 84.5 | Confident | 76.1 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 140.5 | 165.8 | -76.9 | -63.6 | -176.6 | -129.1 | 7.2 | 111.5 | E903 W945 I954 F959 E988 F989 | E903-R957 IonicContact OE1-CZ 2.98Å; E903-R957 IonicContact OE1-NE 3.82Å; E903-R957 IonicContact OE1-NH2 3.89Å; E903-R957 PolarHBondContact OE1-NH2 3.41Å; E903-R957 IonicContact OE2-CZ 3.78Å; E903-R957 IonicContact OE2-NE 2.79Å; E903-R957 PolarHBondContact OE2-NE 3.08Å; E903-R957 IonicContact OE2-NH2 3.37Å; W945-R957 HydrophobicContact CH2-CB 3.52Å; W945-R957 HydrophobicContact CH2-CG 3.34Å; W945-R957 HydrophobicContact CZ2-CB 3.96Å; W945-R957 HydrophobicContact CZ2-CG 3.36Å; W945-R957 HydrophobicContact CZ3-CB 3.98Å; W945-R957 HydrophobicContact CZ3-CG 4.27Å; I954-R957 HydrophobicContact CG2-CG 3.62Å; R957-F959 HydrophobicContact CB-CE2 4.06Å; R957-F959 HydrophobicContact CB-CZ 4.47Å; R957-E988 CarbonylContact O-C 3.51Å; R957-E988 WeakPolarHBondContact O-CA 3.17Å; R957-F989 PolarHBondContact N-O 3.41Å; R957-F989 PolarHBondContact O-N 3.14Å |
| 958 | C | 86.6 | Confident | 75.2 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.2 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | L886 C887 S987 E988 | L886-C958 WeakPolarHBondContact CA-O 3.29Å; C887-C958 HydrophobicContact CB-CB 3.56Å; C887-C958 WeakPolarHBondContact CB-SG 3.34Å; C887-C958 PolarHBondContact N-O 3.34Å; C887-C958 WeakPolarHBondContact SG-CB 3.34Å; C887-C958 PolarHBondContact SG-O 3.48Å; C887-C958 VanDerWaalsContact SG-O 3.4Å; C887-C958 CovalentContact SG-SG 2.04Å; C887-C958 PolarHBondContact SG-SG 3.38Å; C958-S987 WeakPolarHBondContact CA-O 3.25Å; C958-E988 HydrophobicContact CB-CG 4.24Å |
| 959 | F | 90.7 | Very high | 74.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.2 | 174.8 | -62.1 | -82.5 | 0 | 0 | 0 | 110 | I851 F852 I884 D885 L886 L899 I905 W945 R957 Q986 S987 F989 | I851-F959 HydrophobicContact CD1-CD1 4.17Å; I851-F959 HydrophobicContact CD1-CD2 4.38Å; I851-F959 HydrophobicContact CD1-CE1 4.26Å; I851-F959 HydrophobicContact CD1-CE2 4.45Å; I851-F959 HydrophobicContact CD1-CG 4.23Å; I851-F959 HydrophobicContact CD1-CZ 4.39Å; I851-F959 HydrophobicContact CG2-CB 3.55Å; I851-F959 HydrophobicContact CG2-CD2 3.75Å; I851-F959 HydrophobicContact CG2-CG 3.69Å; F852-F959 HydrophobicContact CE2-CB 4.25Å; F852-F959 HydrophobicContact CZ-CB 4.15Å; I884-F959 HydrophobicContact CG2-CB 4.1Å; I884-F959 HydrophobicContact CG2-CD1 4.1Å; I884-F959 HydrophobicContact CG2-CG 4.47Å; D885-F959 CarbonylContact O-C 3.59Å; L886-F959 HydrophobicContact CD2-CD1 3.97Å; L886-F959 HydrophobicContact CD2-CE1 3.67Å; L886-F959 HydrophobicContact CD2-CZ 4.26Å; L899-F959 HydrophobicContact CD2-CE1 4.39Å; I905-F959 HydrophobicContact CD1-CD1 4.35Å; I905-F959 HydrophobicContact CD1-CE1 3.79Å; I905-F959 HydrophobicContact CG1-CE1 4.44Å; W945-F959 HydrophobicContact CB-CE2 4.28Å; W945-F959 HydrophobicContact CB-CZ 4.11Å; W945-F959 AromaticContact CD1-CZ 3.87Å; W945-F959 AromaticContact CD2-CE2 3.74Å; W945-F959 HydrophobicContact CD2-CE2 3.74Å; W945-F959 AromaticContact CD2-CZ 3.72Å; W945-F959 HydrophobicContact CD2-CZ 3.72Å; W945-F959 AromaticContact CE3-CE2 3.76Å; W945-F959 HydrophobicContact CE3-CE2 3.76Å; W945-F959 HydrophobicContact CE3-CZ 4.23Å; W945-F959 AromaticContact CG-CE2 3.98Å; W945-F959 HydrophobicContact CG-CE2 3.98Å; W945-F959 AromaticContact CG-CZ 3.64Å; W945-F959 HydrophobicContact CG-CZ 3.64Å; W945-F959 HydrophobicContact CZ3-CE2 4.32Å; R957-F959 HydrophobicContact CB-CE2 4.06Å; R957-F959 HydrophobicContact CB-CZ 4.47Å; F959-Q986 CarbonylContact O-C 3.52Å; F959-Q986 VanDerWaalsContact O-CA 3.25Å; F959-Q986 WeakPolarHBondContact O-CA 3.45Å; F959-S987 PolarHBondContact N-O 2.77Å; F959-S987 PolarHBondContact O-N 2.97Å; F959-F989 AromaticContact CD2-CD2 3.89Å; F959-F989 HydrophobicContact CD2-CD2 3.89Å; F959-F989 AromaticContact CD2-CE2 3.82Å; F959-F989 HydrophobicContact CD2-CE2 3.82Å; F959-F989 HydrophobicContact CE2-CD2 4.02Å; F959-F989 HydrophobicContact CE2-CE2 4.18Å |
| 960 | N | 90.3 | Very high | 73.9 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131 | 176.2 | -173.3 | 38.7 | 0 | 0 | 0 | 109.8 | I884 D885 A984 I985 Q986 | I884-N960 CarbonylContact C-O 3.48Å; I884-N960 VanDerWaalsContact CA-O 3.29Å; I884-N960 WeakPolarHBondContact CA-O 3.08Å; D885-N960 PolarHBondContact N-O 2.86Å; D885-N960 PolarHBondContact O-N 3.07Å; N960-A984 WeakPolarHBondContact OD1-CB 3.5Å; N960-I985 CarbonylContact C-O 3.55Å; N960-I985 VanDerWaalsContact CA-O 3.31Å; N960-I985 WeakPolarHBondContact CA-O 3.4Å; N960-I985 PolarHBondContact OD1-O 3.43Å; N960-Q986 HydrophobicContact CB-CG 4.07Å; N960-Q986 WeakPolarHBondContact OD1-CG 3.18Å |
| 961 | V | 93 | Very high | 73.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133 | 176.4 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | L822 F852 I855 T883 I884 L940 A984 I985 | L822-V961 HydrophobicContact CD2-CG1 4.4Å; L822-V961 HydrophobicContact CD2-CG2 4.48Å; F852-V961 HydrophobicContact CD1-CG1 3.95Å; F852-V961 HydrophobicContact CD2-CB 4.14Å; F852-V961 HydrophobicContact CD2-CG1 4.02Å; F852-V961 HydrophobicContact CE1-CB 4.34Å; F852-V961 HydrophobicContact CE1-CG1 3.6Å; F852-V961 HydrophobicContact CE2-CB 3.58Å; F852-V961 HydrophobicContact CE2-CG1 3.7Å; F852-V961 HydrophobicContact CG-CG1 4.15Å; F852-V961 HydrophobicContact CZ-CB 3.7Å; F852-V961 HydrophobicContact CZ-CG1 3.48Å; F852-V961 VanDerWaalsContact CZ-CG1 3.48Å; I855-V961 HydrophobicContact CD1-CB 4.5Å; I855-V961 HydrophobicContact CD1-CG1 3.45Å; I855-V961 VanDerWaalsContact CD1-CG1 3.45Å; I855-V961 HydrophobicContact CD1-CG2 4.34Å; T883-V961 VanDerWaalsContact O-CA 3.28Å; T883-V961 WeakPolarHBondContact O-CA 3.16Å; I884-V961 HydrophobicContact CG1-CB 4.14Å; I884-V961 HydrophobicContact CG1-CG2 3.92Å; L940-V961 HydrophobicContact CD1-CG2 4.14Å; L940-V961 HydrophobicContact CD2-CG2 3.85Å; V961-A984 CarbonylContact O-C 3.57Å; V961-A984 VanDerWaalsContact O-CA 3.24Å; V961-A984 WeakPolarHBondContact O-CA 3.45Å; V961-I985 HydrophobicContact CG1-CB 4Å; V961-I985 PolarHBondContact N-O 3.23Å; V961-I985 PolarHBondContact O-N 3.12Å |
| 962 | S | 91.6 | Very high | 73.2 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 146.8 | 170.6 | 53.9 | 0 | 0 | 0 | 0 | 109.9 | C882 T883 | C882-S962 CarbonylContact C-O 3.51Å; C882-S962 WeakPolarHBondContact CA-O 3.19Å; T883-S962 PolarHBondContact N-O 3.04Å; T883-S962 PolarHBondContact O-N 2.81Å; T883-S962 PolarHBondContact OG1-O 3.36Å; T883-S962 PolarHBondContact OG1-OG 2.87Å |
| 963 | C | 92 | Very high | 72.5 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 152.3 | 178.8 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | L820 L822 I879 S881 C882 S982 | L820-C963 HydrophobicContact CD2-CB 3.87Å; L822-C963 HydrophobicContact CD1-CB 4.37Å; I879-C963 HydrophobicContact CG2-CB 4.29Å; S881-C963 CarbonylContact O-C 3.56Å; S881-C963 VanDerWaalsContact O-CA 3.27Å; S881-C963 WeakPolarHBondContact O-CA 3.48Å; C882-C963 HydrophobicContact CB-CB 4.12Å; C882-C963 WeakPolarHBondContact CB-SG 3.32Å; C882-C963 WeakPolarHBondContact SG-CB 3.45Å; C882-C963 CovalentContact SG-SG 2.03Å; C882-C963 PolarHBondContact SG-SG 2.8Å; C963-S982 PolarHBondContact N-OG 3.49Å; C963-S982 WeakPolarHBondContact O-CB 3.42Å; C963-S982 PolarHBondContact O-N 2.8Å; C963-S982 PolarHBondContact O-OG 3.09Å; C963-S982 VanDerWaalsContact O-OG 3.1Å |
| 964 | E | 85.6 | Confident | 71 | Confident | 50 Ų | 50 | 54.1 Ų | 54.1 | 23% | 0.234 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.1 | 175 | -50 | -175.9 | 140.6 | 0 | 0 | 108 | I879 S880 S881 K979 V980 | I879-E964 WeakPolarHBondContact CG2-O 3.48Å; S880-E964 PolarHBondContact N-O 2.55Å; S880-E964 VanDerWaalsContact OG-C 3.27Å; S880-E964 PolarHBondContact OG-O 3Å; S881-E964 PolarHBondContact N-O 3.14Å; S881-E964 VanDerWaalsContact N-O 3.16Å; S881-E964 PolarHBondContact O-N 3.23Å; S881-E964 PolarHBondContact OG-OE2 3.13Å; E964-K979 WeakPolarHBondContact OE1-CE 3.42Å; E964-K979 IonicContact OE1-NZ 3.99Å; E964-K979 PolarHBondContact OE1-NZ 2.95Å; E964-K979 WeakPolarHBondContact OE2-CE 3.06Å; E964-K979 IonicContact OE2-NZ 3.74Å; E964-K979 PolarHBondContact OE2-NZ 2.7Å; E964-V980 WeakPolarHBondContact CA-O 3.48Å |
| 965 | A | 81.5 | Confident | 69.8 | Low | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 153.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | L820 W859 T878 K979 V980 | L820-A965 HydrophobicContact CD2-CB 3.93Å; W859-A965 HydrophobicContact CH2-CB 3.45Å; W859-A965 VanDerWaalsContact CH2-CB 3.45Å; W859-A965 HydrophobicContact CZ2-CB 3.66Å; T878-A965 WeakPolarHBondContact O-CB 3.3Å; A965-K979 WeakPolarHBondContact O-CA 3.47Å; A965-V980 PolarHBondContact N-O 2.89Å; A965-V980 PolarHBondContact O-N 3.5Å |
| 966 | M | 64.9 | Low | 68.5 | Low | 30 Ų | 30 | 61.1 Ų | 61.1 | 15% | 0.148 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.1 | 175.6 | -64.7 | -63.2 | -69 | 0 | 0 | 107.8 | Y202 M977 K979 | Y202-M966 HydrophobicContact CD2-CE 4.43Å; Y202-M966 HydrophobicContact CD2-CG 4.3Å; Y202-M966 HydrophobicContact CD2-SD 4.44Å; Y202-M966 HydrophobicContact CE2-CE 4.16Å; Y202-M966 HydrophobicContact CE2-CG 4.29Å; Y202-M966 HydrophobicContact CE2-SD 3.92Å; M966-M977 HydrophobicContact CB-CE 3.85Å; M966-M977 HydrophobicContact CE-CB 3.92Å; M966-K979 HydrophobicContact CE-CB 4.49Å; M966-K979 HydrophobicContact SD-CB 3.65Å; M966-K979 HydrophobicContact SD-CG 3.9Å |
| 967 | I | 62.6 | Low | 67.3 | Low | 13 Ų | 13 | 62.7 Ų | 62.7 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 141.8 | 176.8 | 62.5 | 169.2 | 0 | 0 | 0 | 110.1 | N818 W859 V969 M977 R978 V980 | N818-I967 HydrophobicContact CB-CD1 4.34Å; W859-I967 HydrophobicContact CH2-CG2 3.39Å; W859-I967 HydrophobicContact CZ2-CG2 4.27Å; W859-I967 HydrophobicContact CZ3-CG2 3.75Å; I967-V969 HydrophobicContact CD1-CG2 3.79Å; I967-V969 HydrophobicContact CG1-CG2 3.88Å; I967-M977 CarbonylContact O-C 3.58Å; I967-M977 WeakPolarHBondContact O-CA 3.4Å; I967-R978 HydrophobicContact CG1-CB 4.11Å; I967-R978 WeakPolarHBondContact CG1-O 3.47Å; I967-R978 PolarHBondContact N-O 2.88Å; I967-R978 PolarHBondContact O-N 2.8Å; I967-V980 HydrophobicContact CD1-CG2 3.54Å; I967-V980 HydrophobicContact CG1-CG2 3.66Å; I967-V980 HydrophobicContact CG2-CG2 4.36Å |
| 968 | Q | 56 | Low | 66 | Low | 92 Ų | 92 | 65.9 Ų | 65.9 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.5 | 171.2 | -171 | 175.6 | -11.9 | 0 | 0 | 108.8 | F975 M977 | Q968-F975 HydrophobicContact CG-CB 4.17Å; Q968-F975 HydrophobicContact CG-CD1 4.08Å; Q968-F975 VanDerWaalsContact NE2-CG 3.31Å; Q968-M977 HydrophobicContact CB-SD 3.8Å; Q968-M977 HydrophobicContact CG-SD 4.12Å |
| 969 | V | 55.8 | Low | 65.2 | Low | 30 Ų | 30 | 69.7 Ų | 69.7 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.7 | 177.2 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | I967 E971 M976 R978 | I967-V969 HydrophobicContact CD1-CG2 3.79Å; I967-V969 HydrophobicContact CG1-CG2 3.88Å; V969-E971 HydrophobicContact CG1-CG 4.38Å; V969-M976 PolarHBondContact N-O 2.91Å; V969-M976 PolarHBondContact O-N 2.82Å; V969-R978 HydrophobicContact CG2-CB 3.84Å |
| 970 | S | 48.2 | Very low | 64.4 | Low | 63 Ų | 63 | 70.2 Ų | 70.2 | 44% | 0.441 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 115.2 | 170.5 | -177.2 | 0 | 0 | 0 | 0 | 109 | Q974 | S970-Q974 WeakPolarHBondContact CA-O 3.34Å |
| 971 | E | 47.3 | Very low | 64 | Low | 81 Ų | 81 | 73.2 Ų | 73.2 | 38% | 0.379 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.9 | 169.1 | -77.9 | -173.2 | 179 | 0 | 0 | 108.5 | V969 D973 Q974 M976 | V969-E971 HydrophobicContact CG1-CG 4.38Å; E971-D973 PolarHBondContact O-N 2.95Å; E971-Q974 PolarHBondContact N-O 3.25Å; E971-Q974 PolarHBondContact O-N 2.94Å; E971-M976 HydrophobicContact CB-CE 4.41Å; E971-M976 HydrophobicContact CB-CG 4.22Å; E971-M976 HydrophobicContact CB-SD 3.9Å; E971-M976 WeakPolarHBondContact OE2-CE 3.32Å |
| 972 | K | 50.5 | Low | 63.7 | Low | 207 Ų | 207 | 74.1 Ų | 74.1 | 90% | 0.9 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 54.9 | 173.8 | -60.9 | 179.5 | 179.8 | 175.5 | 0 | 113.6 | Q974 | K972-Q974 PolarHBondContact O-N 3.08Š|
| 973 | D | 47.6 | Very low | 63.2 | Low | 160 Ų | 160 | 75 Ų | 75 | 86% | 0.856 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 10.2 | 179.9 | -58 | -35.8 | 0 | 0 | 0 | 116.2 | E971 | E971-D973 PolarHBondContact O-N 2.95Š|
| 974 | Q | 34.3 | Very low | 62.8 | Low | 139 Ų | 139 | 76.9 Ų | 76.9 | 65% | 0.65 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.3 | 168.3 | -68.8 | -171.3 | -20.6 | 0 | 0 | 111.2 | S970 E971 K972 | S970-Q974 WeakPolarHBondContact CA-O 3.34Å; E971-Q974 PolarHBondContact N-O 3.25Å; E971-Q974 PolarHBondContact O-N 2.94Å; K972-Q974 PolarHBondContact O-N 3.08Å |
| 975 | F | 49 | Very low | 62.7 | Low | 144 Ų | 144 | 74.5 Ų | 74.5 | 63% | 0.632 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 124.7 | 171.5 | -65 | -76.2 | 0 | 0 | 0 | 109.5 | Q968 | Q968-F975 HydrophobicContact CG-CB 4.17Å; Q968-F975 HydrophobicContact CG-CD1 4.08Å; Q968-F975 VanDerWaalsContact NE2-CG 3.31Å |
| 976 | M | 48.3 | Very low | 62.9 | Low | 81 Ų | 81 | 78 Ų | 78 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.7 | -177.7 | 9.7 | -146.5 | -69.4 | 0 | 0 | 109.8 | V969 E971 | V969-M976 PolarHBondContact N-O 2.91Å; V969-M976 PolarHBondContact O-N 2.82Å; E971-M976 HydrophobicContact CB-CE 4.41Å; E971-M976 HydrophobicContact CB-CG 4.22Å; E971-M976 HydrophobicContact CB-SD 3.9Å; E971-M976 WeakPolarHBondContact OE2-CE 3.32Å |
| 977 | M | 53.1 | Low | 64 | Low | 114 Ų | 114 | 76.6 Ų | 76.6 | 56% | 0.562 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 119.8 | 176.7 | -62.7 | -59.2 | -67.7 | 0 | 0 | 109 | M966 I967 Q968 | M966-M977 HydrophobicContact CB-CE 3.85Å; M966-M977 HydrophobicContact CE-CB 3.92Å; I967-M977 CarbonylContact O-C 3.58Å; I967-M977 WeakPolarHBondContact O-CA 3.4Å; Q968-M977 HydrophobicContact CB-SD 3.8Å; Q968-M977 HydrophobicContact CG-SD 4.12Å |
| 978 | R | 57.2 | Low | 65.2 | Low | 102 Ų | 102 | 76.3 Ų | 76.3 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127 | 178.2 | -172.3 | 173.1 | -179.9 | 166.3 | -1.4 | 109.6 | I967 V969 | I967-R978 HydrophobicContact CG1-CB 4.11Å; I967-R978 WeakPolarHBondContact CG1-O 3.47Å; I967-R978 PolarHBondContact N-O 2.88Å; I967-R978 PolarHBondContact O-N 2.8Å; V969-R978 HydrophobicContact CG2-CB 3.84Å |
| 979 | K | 68.9 | Low | 66.7 | Low | 84 Ų | 84 | 72 Ų | 72 | 37% | 0.365 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 127.9 | 171.1 | -170.8 | 173.7 | -179.7 | 175.3 | 0 | 110 | E964 A965 M966 N981 | E964-K979 WeakPolarHBondContact OE1-CE 3.42Å; E964-K979 IonicContact OE1-NZ 3.99Å; E964-K979 PolarHBondContact OE1-NZ 2.95Å; E964-K979 WeakPolarHBondContact OE2-CE 3.06Å; E964-K979 IonicContact OE2-NZ 3.74Å; E964-K979 PolarHBondContact OE2-NZ 2.7Å; A965-K979 WeakPolarHBondContact O-CA 3.47Å; M966-K979 HydrophobicContact CE-CB 4.49Å; M966-K979 HydrophobicContact SD-CB 3.65Å; M966-K979 HydrophobicContact SD-CG 3.9Å; K979-N981 WeakPolarHBondContact CE-OD1 3.25Å |
| 980 | V | 75 | Confident | 68 | Low | 11 Ų | 11 | 74.5 Ų | 74.5 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.4 | 175.5 | 176.2 | 0 | 0 | 0 | 0 | 107.8 | L820 W859 E964 A965 I967 | L820-V980 HydrophobicContact CB-CG1 4.07Å; W859-V980 HydrophobicContact CZ3-CG1 4.21Å; E964-V980 WeakPolarHBondContact CA-O 3.48Å; A965-V980 PolarHBondContact N-O 2.89Å; A965-V980 PolarHBondContact O-N 3.5Å; I967-V980 HydrophobicContact CD1-CG2 3.54Å; I967-V980 HydrophobicContact CG1-CG2 3.66Å; I967-V980 HydrophobicContact CG2-CG2 4.36Å |
| 981 | N | 82.5 | Confident | 69.6 | Low | 101 Ų | 101 | 72.1 Ų | 72.1 | 54% | 0.54 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 144.4 | 173.5 | -63.4 | -14.9 | 0 | 0 | 0 | 109 | K979 | K979-N981 WeakPolarHBondContact CE-OD1 3.25Å |
| 982 | S | 85 | Confident | 70.9 | Confident | 19 Ų | 19 | 74.1 Ų | 74.1 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 171.9 | 171.8 | 74.8 | 0 | 0 | 0 | 0 | 112.8 | L820 L822 C963 | L820-S982 VanDerWaalsContact O-CA 3.25Å; L820-S982 WeakPolarHBondContact O-CA 3.47Å; L822-S982 WeakPolarHBondContact CD1-OG 3.48Å; C963-S982 PolarHBondContact N-OG 3.49Å; C963-S982 WeakPolarHBondContact O-CB 3.42Å; C963-S982 PolarHBondContact O-N 2.8Å; C963-S982 PolarHBondContact O-OG 3.09Å; C963-S982 VanDerWaalsContact O-OG 3.1Å |
| 983 | N | 81.2 | Confident | 71.6 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 167.4 | 157.8 | 65.7 | -50.1 | 0 | 0 | 0 | 110.8 | V821 L822 | V821-N983 VanDerWaalsContact CA-OD1 3.3Å; V821-N983 WeakPolarHBondContact CA-OD1 3.43Å; L822-N983 WeakPolarHBondContact CD1-O 3.25Å; L822-N983 PolarHBondContact N-OD1 2.92Å; L822-N983 PolarHBondContact O-ND2 3.45Å; L822-N983 PolarHBondContact O-OD1 2.81Å |
| 984 | A | 83.4 | Confident | 71.7 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | trans | -110 | 142.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T834 N960 V961 | T834-A984 WeakPolarHBondContact CB-O 3.36Å; N960-A984 WeakPolarHBondContact OD1-CB 3.5Å; V961-A984 CarbonylContact O-C 3.57Å; V961-A984 VanDerWaalsContact O-CA 3.24Å; V961-A984 WeakPolarHBondContact O-CA 3.45Å | ||
| 985 | I | 84.5 | Confident | 71.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 137.6 | 175.7 | -57.3 | 176.9 | 0 | 0 | 0 | 109.8 | L822 F823 T834 F852 I855 N960 V961 | L822-I985 HydrophobicContact CB-CD1 3.42Å; L822-I985 VanDerWaalsContact CB-CD1 3.42Å; L822-I985 HydrophobicContact CB-CG1 3.93Å; F823-I985 VanDerWaalsContact C-CD1 3.44Å; F823-I985 VanDerWaalsContact CA-CD1 3.43Å; T834-I985 CarbonylContact O-C 3.59Å; T834-I985 WeakPolarHBondContact O-CA 3.38Å; F852-I985 HydrophobicContact CD1-CG2 4.47Å; F852-I985 HydrophobicContact CE1-CG2 4.19Å; I855-I985 HydrophobicContact CD1-CD1 4.38Å; I855-I985 HydrophobicContact CG1-CD1 4.25Å; N960-I985 CarbonylContact C-O 3.55Å; N960-I985 VanDerWaalsContact CA-O 3.31Å; N960-I985 WeakPolarHBondContact CA-O 3.4Å; N960-I985 PolarHBondContact OD1-O 3.43Å; V961-I985 HydrophobicContact CG1-CB 4Å; V961-I985 PolarHBondContact N-O 3.23Å; V961-I985 PolarHBondContact O-N 3.12Å |
| 986 | Q | 86.5 | Confident | 71 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139.2 | 178.5 | -67.4 | 176.8 | -10.6 | 0 | 0 | 111.6 | T834 F835 T836 F959 N960 | T834-Q986 PolarHBondContact O-N 2.79Å; F835-Q986 CarbonylContact C-O 3.48Å; F835-Q986 VanDerWaalsContact CA-O 3.26Å; F835-Q986 WeakPolarHBondContact CA-O 3.36Å; F835-Q986 HydrophobicContact CD2-CB 3.81Å; T836-Q986 PolarHBondContact N-O 3.1Å; F959-Q986 CarbonylContact O-C 3.52Å; F959-Q986 VanDerWaalsContact O-CA 3.25Å; F959-Q986 WeakPolarHBondContact O-CA 3.45Å; N960-Q986 HydrophobicContact CB-CG 4.07Å; N960-Q986 WeakPolarHBondContact OD1-CG 3.18Å |
| 987 | S | 88 | Confident | 70.2 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.4 | 170.9 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | T836 I851 F852 C958 F959 | T836-S987 CarbonylContact O-C 3.53Å; T836-S987 WeakPolarHBondContact O-CA 3.32Å; I851-S987 WeakPolarHBondContact O-CB 3.22Å; I851-S987 PolarHBondContact O-OG 2.96Å; F852-S987 VanDerWaalsContact CE1-CB 3.47Å; C958-S987 WeakPolarHBondContact CA-O 3.25Å; F959-S987 PolarHBondContact N-O 2.77Å; F959-S987 PolarHBondContact O-N 2.97Å |
| 988 | E | 86.1 | Confident | 68.8 | Low | 7 Ų | 7 | 71.2 Ų | 71.2 | 3% | 0.033 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.5 | -173.1 | -165.6 | 176.1 | 137.8 | 0 | 0 | 110.6 | F835 T836 S837 R838 R956 R957 C958 Y990 | F835-E988 HydrophobicContact CE2-CB 3.87Å; F835-E988 WeakPolarHBondContact CE2-OE2 3.4Å; F835-E988 HydrophobicContact CZ-CB 3.83Å; F835-E988 HydrophobicContact CZ-CG 4.48Å; F835-E988 WeakPolarHBondContact CZ-OE2 3.33Å; T836-E988 PolarHBondContact O-N 3.44Å; S837-E988 CarbonylContact C-O 3.59Å; S837-E988 VanDerWaalsContact CA-O 3.25Å; S837-E988 WeakPolarHBondContact CA-O 3.42Å; R838-E988 PolarHBondContact N-O 3.18Å; R956-E988 HydrophobicContact CG-CG 4.35Å; R956-E988 IonicContact CZ-OE1 3.5Å; R956-E988 IonicContact CZ-OE2 3.8Å; R956-E988 VanDerWaalsContact NE-CD 3.28Å; R956-E988 IonicContact NE-OE1 2.7Å; R956-E988 PolarHBondContact NE-OE1 2.98Å; R956-E988 IonicContact NE-OE2 2.88Å; R956-E988 IonicContact NH2-OE1 3.83Å; R956-E988 PolarHBondContact NH2-OE1 2.92Å; R956-E988 IonicContact NH2-OE2 3.42Å; R956-E988 PolarHBondContact NH2-OE2 3.48Å; R957-E988 CarbonylContact O-C 3.51Å; R957-E988 WeakPolarHBondContact O-CA 3.17Å; C958-E988 HydrophobicContact CB-CG 4.24Å; E988-Y990 HydrophobicContact CG-CE2 3.98Å; E988-Y990 WeakPolarHBondContact OE1-CE2 3.12Å; E988-Y990 PolarHBondContact OE1-OH 3.2Å |
| 989 | F | 87.8 | Confident | 67.4 | Low | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.6 | -175.8 | -64.8 | -80 | 0 | 0 | 0 | 109.9 | R838 L840 V849 I851 W945 R956 R957 F959 | R838-F989 HydrophobicContact CB-CD1 4.03Å; R838-F989 HydrophobicContact CB-CE1 4.17Å; R838-F989 CarbonylContact O-C 3.57Å; R838-F989 WeakPolarHBondContact O-CA 3.19Å; L840-F989 HydrophobicContact CD1-CB 3.95Å; L840-F989 HydrophobicContact CD1-CD1 3.42Å; L840-F989 VanDerWaalsContact CD1-CD1 3.42Å; L840-F989 HydrophobicContact CD1-CE1 4.23Å; L840-F989 HydrophobicContact CD1-CG 3.97Å; L840-F989 HydrophobicContact CD2-CD1 4.43Å; L840-F989 HydrophobicContact CG-CD1 3.92Å; V849-F989 HydrophobicContact CG1-CD1 4.33Å; V849-F989 HydrophobicContact CG1-CE1 3.7Å; V849-F989 HydrophobicContact CG1-CZ 4.33Å; I851-F989 HydrophobicContact CG2-CE2 4.19Å; W945-F989 HydrophobicContact CE3-CD2 4.21Å; W945-F989 HydrophobicContact CE3-CG 4.35Å; W945-F989 HydrophobicContact CZ3-CB 3.79Å; W945-F989 HydrophobicContact CZ3-CD2 4.15Å; W945-F989 AromaticContact CZ3-CG 4Å; W945-F989 HydrophobicContact CZ3-CG 4Å; R956-F989 CarbonylContact C-O 3.56Å; R956-F989 WeakPolarHBondContact CA-O 3.32Å; R957-F989 PolarHBondContact N-O 3.41Å; R957-F989 PolarHBondContact O-N 3.14Å; F959-F989 AromaticContact CD2-CD2 3.89Å; F959-F989 HydrophobicContact CD2-CD2 3.89Å; F959-F989 AromaticContact CD2-CE2 3.82Å; F959-F989 HydrophobicContact CD2-CE2 3.82Å; F959-F989 HydrophobicContact CE2-CD2 4.02Å; F959-F989 HydrophobicContact CE2-CE2 4.18Å |
| 990 | Y | 83.4 | Confident | 65.2 | Low | 84 Ų | 84 | 72.3 Ų | 72.3 | 33% | 0.329 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.1 | 173.5 | -69.9 | -93.6 | 0 | 0 | 0 | 109.5 | S837 R838 N839 L840 R956 E988 | S837-Y990 WeakPolarHBondContact OG-CD2 3.28Å; S837-Y990 WeakPolarHBondContact OG-CE2 3.46Å; R838-Y990 PolarHBondContact O-N 3.44Å; N839-Y990 CarbonylContact C-O 3.52Å; N839-Y990 WeakPolarHBondContact CA-O 3.5Å; L840-Y990 PolarHBondContact N-O 3.38Å; R956-Y990 HydrophobicContact CG-CD1 4.39Å; R956-Y990 HydrophobicContact CG-CE1 4.29Å; E988-Y990 HydrophobicContact CG-CE2 3.98Å; E988-Y990 WeakPolarHBondContact OE1-CE2 3.12Å; E988-Y990 PolarHBondContact OE1-OH 3.2Å |
| 991 | I | 81.7 | Confident | 62.9 | Low | 12 Ų | 12 | 78.1 Ų | 78.1 | 6% | 0.062 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.4 | -175.1 | -61.2 | 155.7 | 0 | 0 | 0 | 110 | L840 L845 W945 I954 S955 | L840-I991 HydrophobicContact CB-CG1 4.41Å; L840-I991 WeakPolarHBondContact O-CA 3.44Å; L845-I991 HydrophobicContact CD2-CD1 3.73Å; W945-I991 HydrophobicContact CH2-CD1 3.57Å; W945-I991 HydrophobicContact CZ2-CD1 4.41Å; W945-I991 HydrophobicContact CZ3-CD1 4.29Å; I954-I991 HydrophobicContact CB-CD1 4.04Å; I954-I991 HydrophobicContact CG2-CD1 3.62Å; I954-I991 WeakPolarHBondContact O-CB 3.4Å; I954-I991 WeakPolarHBondContact O-CD1 3.31Å; S955-I991 PolarHBondContact O-N 3.12Å |
| 992 | Y | 75.2 | Confident | 60.1 | Low | 123 Ų | 123 | 78.7 Ų | 78.7 | 48% | 0.482 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.2 | -179.8 | -63.7 | -92 | 0 | 0 | 0 | 111.4 | N839 L840 | N839-Y992 HydrophobicContact CB-CD2 4.21Å; N839-Y992 HydrophobicContact CB-CE2 3.53Å; N839-Y992 VanDerWaalsContact CG-CE2 3.46Å; N839-Y992 PolarHBondContact OD1-OH 2.79Å; L840-Y992 PolarHBondContact O-N 2.87Å |
| 993 | H | 64.3 | Low | 57.3 | Low | 92 Ų | 92 | 83 Ų | 83 | 43% | 0.426 | 48% | 0.477 | S | S | . | . | trans | -86.8 | 112.6 | 168.9 | -62.6 | -104.9 | 0 | 0 | 0 | 108.2 | ||||
| 994 | G | 49.6 | Very low | 54.6 | Low | 77 Ų | 77 | 85.4 Ų | 85.4 | 79% | 0.794 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -61.5 | 143.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 995 | K | 36.7 | Very low | 51.8 | Low | 216 Ų | 216 | 91 Ų | 91 | 94% | 0.939 | 52% | 0.522 | S | S | * | . | cis | -129.3 | 116.1 | 12.3 | -64.8 | 168.8 | 177.8 | 175.9 | 0 | 108.4 | ||||
| 996 | S | 33 | Very low | 49 | Very low | 108 Ų | 108 | 97.3 Ų | 97.3 | 76% | 0.755 | 56% | 0.56 | S | S | * | * | trans | -144.7 | 127.1 | 161.9 | 176.6 | 0 | 0 | 0 | 0 | 106.7 | Q998 | S996-Q998 PolarHBondContact O-N 3.48Š| ||
| 997 | S | 30.6 | Very low | 46 | Very low | 106 Ų | 106 | 101.1 Ų | 101.1 | 74% | 0.741 | 58% | 0.578 | S | S | * | * | trans | -42.3 | 135.3 | 172.3 | 43.9 | 0 | 0 | 0 | 0 | 110.6 | P999 | S997-P999 VanDerWaalsContact O-N 3.13Š| ||
| 998 | Q | 24.2 | Very low | 42.9 | Very low | 186 Ų | 186 | 109.8 Ų | 109.8 | 87% | 0.869 | 62% | 0.618 | S | S | * | * | trans | -29.7 | 117 | 172.3 | -74.5 | 174.3 | -34.1 | 0 | 0 | 110.9 | S996 S1000 | S996-Q998 PolarHBondContact O-N 3.48Å; Q998-S1000 PolarHBondContact O-N 3.24Å; Q998-S1000 VanDerWaalsContact O-N 3.12Å | ||
| 999 | P | 27.2 | Very low | 40 | Very low | 107 Ų | 107 | 117 Ų | 117 | 70% | 0.695 | 65% | 0.652 | S | S | * | * | trans | -64.5 | 118.7 | 161.8 | -4.6 | 19.3 | 0 | 0 | 0 | 105.4 | S997 V1001 | S997-P999 VanDerWaalsContact O-N 3.13Å; P999-V1001 PolarHBondContact O-N 3.12Å | ||
| 1000 | S | 23.1 | Very low | 36.9 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | -47.5 | 107.8 | 162 | 48.9 | 0 | 0 | 0 | 0 | 107.9 | Q998 T1002 | Q998-S1000 PolarHBondContact O-N 3.24Å; Q998-S1000 VanDerWaalsContact O-N 3.12Å; S1000-T1002 PolarHBondContact O-N 2.88Å | ||
| 1001 | V | 26.6 | Very low | 34 | Very low | 133 Ų | 133 | 123 Ų | 123 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | trans | -69.9 | 81.2 | 162 | -178.6 | 0 | 0 | 0 | 0 | 105.5 | P999 P1003 | P999-V1001 PolarHBondContact O-N 3.12Å; V1001-P1003 WeakPolarHBondContact O-CD 3.15Å | ||
| 1002 | T | 25.1 | Very low | 31.1 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | trans | -65.7 | 116.4 | 150.2 | -5.2 | 0 | 0 | 0 | 0 | 104.6 | S1000 S1004 | S1000-T1002 PolarHBondContact O-N 2.88Å; T1002-S1004 PolarHBondContact O-N 3.33Å | ||
| 1003 | P | 25.1 | Very low | 28.6 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -61.6 | 105.7 | -179.8 | 24 | -31 | 0 | 0 | 0 | 107.9 | V1001 N1005 | V1001-P1003 WeakPolarHBondContact O-CD 3.15Å; P1003-N1005 PolarHBondContact O-N 2.82Å | ||
| 1004 | S | 25.2 | Very low | 26.7 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -68.2 | 121 | 165.4 | 44.4 | 0 | 0 | 0 | 0 | 106.6 | T1002 V1006 | T1002-S1004 PolarHBondContact O-N 3.33Å; S1004-V1006 PolarHBondContact O-N 3.4Å | ||
| 1005 | N | 23.6 | Very low | 25.6 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -44 | 97.1 | 175.3 | -73.9 | -44.8 | 0 | 0 | 0 | 110.7 | P1003 Q1007 | P1003-N1005 PolarHBondContact O-N 2.82Å; N1005-Q1007 VanDerWaalsContact C-N 3.33Å; N1005-Q1007 PolarHBondContact O-N 3.43Å | ||
| 1006 | V | 25.9 | Very low | 24.9 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -67.9 | 104.9 | 158.7 | 176.4 | 0 | 0 | 0 | 0 | 104.6 | S1004 Q1008 | S1004-V1006 PolarHBondContact O-N 3.4Å; V1006-Q1008 PolarHBondContact O-N 3.21Å | ||
| 1007 | Q | 24.2 | Very low | 24.7 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -48.1 | 104.8 | 169.1 | -71.6 | 173.1 | -21 | 0 | 0 | 107.4 | N1005 H1009 | N1005-Q1007 VanDerWaalsContact C-N 3.33Å; N1005-Q1007 PolarHBondContact O-N 3.43Å; Q1007-H1009 PolarHBondContact O-N 3.4Å | ||
| 1008 | Q | 23.3 | Very low | 24.3 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -60.1 | 94.2 | 161.8 | -74.5 | 179.8 | -13.6 | 0 | 0 | 105.8 | V1006 S1010 | V1006-Q1008 PolarHBondContact O-N 3.21Å; Q1008-S1010 PolarHBondContact O-N 3.15Å | ||
| 1009 | H | 24.5 | Very low | 24.4 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -65.8 | 76.7 | 150.8 | -78.6 | -60.8 | 0 | 0 | 0 | 106.6 | Q1007 T1011 | Q1007-H1009 PolarHBondContact O-N 3.4Å; H1009-T1011 PolarHBondContact O-N 3.32Å | ||
| 1010 | S | 22.2 | Very low | 24.3 | Very low | 88 Ų | 88 | 146.9 Ų | 146.9 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | trans | -62.2 | 85.9 | 156.2 | -179.2 | 0 | 0 | 0 | 0 | 105.9 | Q1008 R1012 | Q1008-S1010 PolarHBondContact O-N 3.15Å; S1010-R1012 PolarHBondContact O-N 3.36Å | ||
| 1011 | T | 23.4 | Very low | 24.3 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -65.1 | 92.6 | 153.6 | 35.2 | 0 | 0 | 0 | 0 | 105.5 | H1009 L1013 | H1009-T1011 PolarHBondContact O-N 3.32Å; T1011-L1013 PolarHBondContact O-N 3.44Å | ||
| 1012 | R | 20 | Very low | 24.5 | Very low | 227 Ų | 227 | 150.9 Ų | 150.9 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -54.2 | 93.5 | 163.4 | -80.7 | -177.5 | 174 | 179.8 | -0.6 | 107.8 | S1010 S1014 | S1010-R1012 PolarHBondContact O-N 3.36Å; R1012-S1014 VanDerWaalsContact C-N 3.3Å; R1012-S1014 PolarHBondContact O-N 3.01Å; R1012-S1014 VanDerWaalsContact O-N 3.13Å | ||
| 1013 | L | 23.3 | Very low | 24.5 | Very low | 150 Ų | 150 | 152 Ų | 152 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -77 | 94.1 | 157.8 | -115.7 | 125.9 | 0 | 0 | 0 | 106.7 | T1011 L1015 | T1011-L1013 PolarHBondContact O-N 3.44Å; L1013-L1015 PolarHBondContact O-N 3.01Å; L1013-L1015 VanDerWaalsContact O-N 3.16Å | ||
| 1014 | S | 23.2 | Very low | 24.5 | Very low | 104 Ų | 104 | 156.5 Ų | 156.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -65.2 | 105.1 | 169.7 | 57.5 | 0 | 0 | 0 | 0 | 109.5 | R1012 | R1012-S1014 VanDerWaalsContact C-N 3.3Å; R1012-S1014 PolarHBondContact O-N 3.01Å; R1012-S1014 VanDerWaalsContact O-N 3.13Å | ||
| 1015 | L | 27.2 | Very low | 24.6 | Very low | 165 Ų | 165 | 161.8 Ų | 161.8 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -111.7 | 78 | 156.5 | -83.3 | 152.9 | 0 | 0 | 0 | 107.7 | L1013 | L1013-L1015 PolarHBondContact O-N 3.01Å; L1013-L1015 VanDerWaalsContact O-N 3.16Å | ||
| 1016 | R | 22.6 | Very low | 24.8 | Very low | 251 Ų | 251 | 161.2 Ų | 161.2 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 112.6 | 167.2 | -164.3 | -175.3 | -163.7 | -171.1 | 4.9 | 106.7 | ||||
| 1017 | G | 27.5 | Very low | 24.9 | Very low | 62 Ų | 62 | 161.3 Ų | 161.3 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | 178.4 | 74.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1019 | G1017-P1019 VanDerWaalsContact O-CD 3.27Å; G1017-P1019 WeakPolarHBondContact O-CD 3.3Å | ||
| 1018 | K | 22.4 | Very low | 24.9 | Very low | 206 Ų | 206 | 162 Ų | 162 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 118.8 | 162.7 | -69.1 | -179.1 | 177.2 | -176.9 | 0 | 108 | R1020 | K1018-R1020 PolarHBondContact O-N 3.38Š|
| 1019 | P | 26.3 | Very low | 24.9 | Very low | 126 Ų | 126 | 157.7 Ų | 157.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 124.9 | 168.3 | -6.8 | 25 | 0 | 0 | 0 | 108.2 | G1017 | G1017-P1019 VanDerWaalsContact O-CD 3.27Å; G1017-P1019 WeakPolarHBondContact O-CD 3.3Å |
| 1020 | R | 24.9 | Very low | 25.1 | Very low | 236 Ų | 236 | 157.7 Ų | 157.7 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 142.3 | 173.7 | -79.3 | 176 | 165.6 | 155.2 | -5.5 | 110.1 | K1018 V1022 | K1018-R1020 PolarHBondContact O-N 3.38Å; R1020-V1022 PolarHBondContact O-N 3.48Å |
| 1021 | L | 24.7 | Very low | 25.1 | Very low | 178 Ų | 178 | 162.4 Ų | 162.4 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -54 | 124.4 | 169.7 | -75.3 | 103.9 | 0 | 0 | 0 | 110.7 | ||
| 1022 | V | 29.3 | Very low | 25.2 | Very low | 140 Ų | 140 | 162 Ų | 162 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -111.6 | 135.5 | 158.3 | -177.1 | 0 | 0 | 0 | 0 | 108 | R1020 | R1020-V1022 PolarHBondContact O-N 3.48Š| ||
| 1023 | N | 26 | Very low | 25.3 | Very low | 138 Ų | 138 | 155.5 Ų | 155.5 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | -72.1 | 135.5 | -160.3 | -159.7 | -16 | 0 | 0 | 0 | 112.4 | R1025 | N1023-R1025 PolarHBondContact O-N 3.02Š| ||
| 1024 | K | 26 | Very low | 25.4 | Very low | 205 Ų | 205 | 156.7 Ų | 156.7 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -77.9 | 85.6 | 173.4 | -89.8 | -178.7 | 169.8 | 178.1 | 0 | 110.2 | ||||
| 1025 | R | 26.1 | Very low | 25.3 | Very low | 215 Ų | 215 | 160.3 Ų | 160.3 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -150.5 | 100.2 | 152.9 | -71.3 | -168 | -179.5 | 144.8 | 0.2 | 107 | N1023 | N1023-R1025 PolarHBondContact O-N 3.02Š| ||
| 1026 | D | 28.9 | Very low | 25.3 | Very low | 143 Ų | 143 | 160 Ų | 160 | 77% | 0.765 | 82% | 0.816 | S | S | * | * | trans | 179.4 | 100.4 | 131.8 | -80.7 | -20.2 | 0 | 0 | 0 | 108.4 | ||||
| 1027 | I | 27.7 | Very low | 25.5 | Very low | 134 Ų | 134 | 156.2 Ų | 156.2 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | 83.9 | 93.1 | 112.7 | -63.8 | 159.6 | 0 | 0 | 0 | 110.4 | |||||
| 1028 | N | 23.2 | Very low | 25.2 | Very low | 169 Ų | 169 | 161.1 Ų | 161.1 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | 39.4 | 69.2 | 78.6 | -76.9 | -1.1 | 0 | 0 | 0 | 114.2 | |||||
| 1029 | S | 24.7 | Very low | 25.4 | Very low | 92 Ų | 92 | 161.1 Ų | 161.1 | 64% | 0.643 | 82% | 0.82 | S | S | * | * | trans | -167.2 | 106.5 | 144.9 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1030 | L | 28.3 | Very low | 25.5 | Very low | 161 Ų | 161 | 161 Ų | 161 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | 166.1 | 83.9 | 133.2 | -107.8 | 70.9 | 0 | 0 | 0 | 108.3 | ||||
| 1031 | Q | 22.5 | Very low | 25.7 | Very low | 186 Ų | 186 | 156.1 Ų | 156.1 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -79.6 | 145 | 138.7 | -74 | 175.5 | -67.4 | 0 | 0 | 106.4 | ||||
| 1032 | P | 23.7 | Very low | 26.2 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | -135.7 | 130.4 | 112.2 | 26.2 | -9.7 | 0 | 0 | 0 | 112.4 | |||||
| 1033 | A | 23.2 | Very low | 26.5 | Very low | 90 Ų | 90 | 156.7 Ų | 156.7 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -65.5 | 131 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1034 | M | 25.8 | Very low | 27.3 | Very low | 175 Ų | 175 | 153.2 Ų | 153.2 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | trans | -119.4 | 89.5 | 159.6 | -84.4 | -175.5 | 54.1 | 0 | 0 | 108.6 | ||||
| 1035 | H | 21.6 | Very low | 28.1 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | trans | -75.2 | 120.4 | 149.3 | -115.6 | -77.3 | 0 | 0 | 0 | 106.7 | ||||
| 1036 | L | 26.5 | Very low | 29.4 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -142.3 | 125.8 | 154.7 | -156.5 | 71.7 | 0 | 0 | 0 | 110.8 | ||||
| 1037 | Q | 25.7 | Very low | 31.3 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -66 | 150.1 | -175.9 | -71.9 | 162.5 | -62.4 | 0 | 0 | 113.2 | K1039 | Q1037-K1039 PolarHBondContact O-N 2.82Š| ||
| 1038 | N | 22.3 | Very low | 33 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 88% | 0.882 | 73% | 0.734 | S | S | * | * | trans | -27.9 | 117.1 | 156.9 | -73.1 | -23.6 | 0 | 0 | 0 | 114.1 | ||||
| 1039 | K | 27.1 | Very low | 35.1 | Very low | 206 Ų | 206 | 134.5 Ų | 134.5 | 90% | 0.896 | 72% | 0.721 | S | S | * | * | trans | -131.3 | 117.4 | 155.8 | -130.8 | 175.7 | -174.3 | 177.4 | 0 | 109 | Q1037 | Q1037-K1039 PolarHBondContact O-N 2.82Š| ||
| 1040 | T | 26.7 | Very low | 37.3 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | trans | -76.1 | 140.7 | -175.3 | 37.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1041 | N | 30.8 | Very low | 39.7 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | 47.1 | 89.3 | 140.2 | -66 | -7.6 | 0 | 0 | 0 | 120.2 | ||||
| 1042 | T | 34.2 | Very low | 42.3 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -140.1 | 10.7 | 141.4 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1043 | W | 36.5 | Very low | 45 | Very low | 212 Ų | 212 | 125.1 Ų | 125.1 | 80% | 0.803 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -96.6 | -6.6 | 177.3 | -77.3 | 68 | 0 | 0 | 0 | 114 | T1045 I1047 | W1043-T1045 PolarHBondContact O-N 3.2Å; W1043-I1047 WeakPolarHBondContact O-CG1 3.29Å; W1043-I1047 PolarHBondContact O-N 3.4Å |
| 1044 | S | 41.4 | Very low | 47.7 | Very low | 65 Ų | 65 | 124.2 Ų | 124.2 | 46% | 0.455 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -72.1 | -27 | -178.9 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | L1048 | S1044-L1048 PolarHBondContact O-N 3.42Å; S1044-L1048 VanDerWaalsContact O-N 3.16Å |
| 1045 | T | 44.1 | Very low | 50.5 | Low | 97 Ų | 97 | 119.6 Ų | 119.6 | 60% | 0.595 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.9 | -35.8 | 178.7 | 51 | 0 | 0 | 0 | 0 | 112.5 | W1043 L1049 | W1043-T1045 PolarHBondContact O-N 3.2Å; T1045-L1049 WeakPolarHBondContact O-CG 2.99Å; T1045-L1049 PolarHBondContact O-N 2.92Å |
| 1046 | G | 53.6 | Low | 53.5 | Low | 37 Ų | 37 | 116.4 Ų | 116.4 | 38% | 0.381 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.9 | -40.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1049 L1050 | G1046-L1049 PolarHBondContact O-N 2.83Å; G1046-L1050 PolarHBondContact O-N 3.48Å; G1046-L1050 VanDerWaalsContact O-N 3.12Å |
| 1047 | I | 67.5 | Low | 56.4 | Low | 92 Ų | 92 | 111 Ų | 111 | 47% | 0.472 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.2 | -39.6 | 177.9 | -63.2 | 169 | 0 | 0 | 0 | 110.7 | W1043 L1049 L1050 I1051 | W1043-I1047 WeakPolarHBondContact O-CG1 3.29Å; W1043-I1047 PolarHBondContact O-N 3.4Å; I1047-L1049 VanDerWaalsContact C-N 3.31Å; I1047-L1049 PolarHBondContact O-N 3.19Å; I1047-L1050 PolarHBondContact O-N 2.77Å; I1047-I1051 HydrophobicContact CG2-CD1 3.78Å; I1047-I1051 HydrophobicContact CG2-CG1 4.37Å; I1047-I1051 VanDerWaalsContact O-CG1 3.31Å; I1047-I1051 WeakPolarHBondContact O-CG1 3.38Å; I1047-I1051 PolarHBondContact O-N 3.08Å |
| 1048 | L | 63.5 | Low | 59.3 | Low | 124 Ų | 124 | 106.9 Ų | 106.9 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.8 | -39.1 | 175.1 | -117.7 | 89.3 | 0 | 0 | 0 | 112.4 | S1044 I1051 S1052 | S1044-L1048 PolarHBondContact O-N 3.42Å; S1044-L1048 VanDerWaalsContact O-N 3.16Å; L1048-I1051 PolarHBondContact O-N 3.28Å; L1048-S1052 WeakPolarHBondContact O-CB 3.45Å; L1048-S1052 PolarHBondContact O-N 2.84Å; L1048-S1052 PolarHBondContact O-OG 2.83Å |
| 1049 | L | 68 | Low | 62.3 | Low | 122 Ų | 122 | 104 Ų | 104 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.2 | -40.1 | 176.9 | -78 | 165.5 | 0 | 0 | 0 | 111.9 | T1045 G1046 I1047 S1052 S1053 | T1045-L1049 WeakPolarHBondContact O-CG 2.99Å; T1045-L1049 PolarHBondContact O-N 2.92Å; G1046-L1049 PolarHBondContact O-N 2.83Å; I1047-L1049 VanDerWaalsContact C-N 3.31Å; I1047-L1049 PolarHBondContact O-N 3.19Å; L1049-S1052 PolarHBondContact O-N 3.23Å; L1049-S1052 PolarHBondContact O-OG 3.21Å; L1049-S1053 PolarHBondContact O-N 3.1Å |
| 1050 | L | 71.5 | Confident | 65.2 | Low | 119 Ų | 119 | 99 Ų | 99 | 62% | 0.623 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.3 | -39.7 | 176.4 | -75.4 | 168.6 | 0 | 0 | 0 | 112.8 | G1046 I1047 S1053 S1054 | G1046-L1050 PolarHBondContact O-N 3.48Å; G1046-L1050 VanDerWaalsContact O-N 3.12Å; I1047-L1050 PolarHBondContact O-N 2.77Å; L1050-S1053 PolarHBondContact O-N 2.87Å; L1050-S1054 PolarHBondContact O-N 3.15Å; L1050-S1054 VanDerWaalsContact O-N 3.07Å; L1050-S1054 PolarHBondContact O-OG 3.5Å |
| 1051 | I | 77.9 | Confident | 68.1 | Low | 96 Ų | 96 | 98.9 Ų | 98.9 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.1 | -43 | 175.8 | -65.2 | 168.3 | 0 | 0 | 0 | 109.9 | I1047 L1048 S1053 S1054 V1055 | I1047-I1051 HydrophobicContact CG2-CD1 3.78Å; I1047-I1051 HydrophobicContact CG2-CG1 4.37Å; I1047-I1051 VanDerWaalsContact O-CG1 3.31Å; I1047-I1051 WeakPolarHBondContact O-CG1 3.38Å; I1047-I1051 PolarHBondContact O-N 3.08Å; L1048-I1051 PolarHBondContact O-N 3.28Å; I1051-S1053 VanDerWaalsContact C-N 3.32Å; I1051-S1053 PolarHBondContact O-N 3.43Å; I1051-S1054 PolarHBondContact O-N 2.97Å; I1051-V1055 HydrophobicContact CG2-CG2 4.39Å; I1051-V1055 WeakPolarHBondContact O-CG2 3.46Å; I1051-V1055 PolarHBondContact O-N 2.95Å |
| 1052 | S | 76.6 | Confident | 70.6 | Confident | 63 Ų | 63 | 96.9 Ų | 96.9 | 44% | 0.441 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 177.4 | 76.1 | 0 | 0 | 0 | 0 | 112.3 | L1048 L1049 S1054 L1056 | L1048-S1052 WeakPolarHBondContact O-CB 3.45Å; L1048-S1052 PolarHBondContact O-N 2.84Å; L1048-S1052 PolarHBondContact O-OG 2.83Å; L1049-S1052 PolarHBondContact O-N 3.23Å; L1049-S1052 PolarHBondContact O-OG 3.21Å; S1052-S1054 PolarHBondContact O-N 3.33Å; S1052-L1056 WeakPolarHBondContact O-CB 3.24Å; S1052-L1056 PolarHBondContact O-N 3.08Å |
| 1053 | S | 80.4 | Confident | 73.2 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | L1049 L1050 I1051 L1056 A1057 | L1049-S1053 PolarHBondContact O-N 3.1Å; L1050-S1053 PolarHBondContact O-N 2.87Å; I1051-S1053 VanDerWaalsContact C-N 3.32Å; I1051-S1053 PolarHBondContact O-N 3.43Å; S1053-L1056 PolarHBondContact O-N 2.85Å; S1053-A1057 WeakPolarHBondContact O-CB 3.47Å; S1053-A1057 PolarHBondContact O-N 3.41Å |
| 1054 | S | 79.6 | Confident | 75.5 | Confident | 71 Ų | 71 | 90.8 Ų | 90.8 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.8 | -40.7 | -179 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | L1050 I1051 S1052 A1057 V1058 | L1050-S1054 PolarHBondContact O-N 3.15Å; L1050-S1054 VanDerWaalsContact O-N 3.07Å; L1050-S1054 PolarHBondContact O-OG 3.5Å; I1051-S1054 PolarHBondContact O-N 2.97Å; S1052-S1054 PolarHBondContact O-N 3.33Å; S1054-A1057 PolarHBondContact O-N 2.95Å; S1054-V1058 WeakPolarHBondContact O-CG2 3.44Å; S1054-V1058 PolarHBondContact O-N 3.14Å |
| 1055 | V | 85.8 | Confident | 77.4 | Confident | 79 Ų | 79 | 89.7 Ų | 89.7 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 175.8 | 175 | 0 | 0 | 0 | 0 | 110.9 | I1051 A1057 V1058 L1059 | I1051-V1055 HydrophobicContact CG2-CG2 4.39Å; I1051-V1055 WeakPolarHBondContact O-CG2 3.46Å; I1051-V1055 PolarHBondContact O-N 2.95Å; V1055-A1057 VanDerWaalsContact C-N 3.34Å; V1055-A1057 PolarHBondContact O-N 3.48Å; V1055-V1058 PolarHBondContact O-N 2.81Å; V1055-L1059 HydrophobicContact CG1-CD1 3.96Å; V1055-L1059 HydrophobicContact CG1-CG 4.43Å; V1055-L1059 WeakPolarHBondContact O-CB 3.45Å; V1055-L1059 WeakPolarHBondContact O-CG 3.39Å; V1055-L1059 PolarHBondContact O-N 2.98Å |
| 1056 | L | 84.2 | Confident | 79.1 | Confident | 113 Ų | 113 | 89.9 Ų | 89.9 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -37.2 | 178 | -133.1 | 120.6 | 0 | 0 | 0 | 112.1 | S1052 S1053 L1059 L1060 | S1052-L1056 WeakPolarHBondContact O-CB 3.24Å; S1052-L1056 PolarHBondContact O-N 3.08Å; S1053-L1056 PolarHBondContact O-N 2.85Å; L1056-L1059 PolarHBondContact O-N 3.17Å; L1056-L1060 HydrophobicContact CD2-CD1 4.36Å; L1056-L1060 WeakPolarHBondContact O-CB 3.42Å; L1056-L1060 WeakPolarHBondContact O-CG 3.39Å; L1056-L1060 PolarHBondContact O-N 3.49Å |
| 1057 | A | 87.2 | Confident | 80.1 | Confident | 46 Ų | 46 | 94.3 Ų | 94.3 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1053 S1054 V1055 L1060 I1061 | S1053-A1057 WeakPolarHBondContact O-CB 3.47Å; S1053-A1057 PolarHBondContact O-N 3.41Å; S1054-A1057 PolarHBondContact O-N 2.95Å; V1055-A1057 VanDerWaalsContact C-N 3.34Å; V1055-A1057 PolarHBondContact O-N 3.48Å; A1057-L1060 PolarHBondContact O-N 3.1Å; A1057-I1061 VanDerWaalsContact O-CG1 3.29Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.13Å; A1057-I1061 PolarHBondContact O-N 3.26Å |
| 1058 | V | 87 | Confident | 80.3 | Confident | 84 Ų | 84 | 99 Ų | 99 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 176.5 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | S1054 V1055 L1060 I1061 L1062 | S1054-V1058 WeakPolarHBondContact O-CG2 3.44Å; S1054-V1058 PolarHBondContact O-N 3.14Å; V1055-V1058 PolarHBondContact O-N 2.81Å; V1058-L1060 VanDerWaalsContact C-N 3.34Å; V1058-L1060 PolarHBondContact O-N 3.22Å; V1058-I1061 PolarHBondContact O-N 3.28Å; V1058-L1062 HydrophobicContact CG1-CD1 4.06Å; V1058-L1062 WeakPolarHBondContact O-CB 3.27Å; V1058-L1062 PolarHBondContact O-N 2.96Å |
| 1059 | L | 85.8 | Confident | 80.8 | Confident | 105 Ų | 105 | 98.5 Ų | 98.5 | 55% | 0.55 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 175.3 | -72.9 | 172.1 | 0 | 0 | 0 | 112.3 | V1055 L1056 F1063 | V1055-L1059 HydrophobicContact CG1-CD1 3.96Å; V1055-L1059 HydrophobicContact CG1-CG 4.43Å; V1055-L1059 WeakPolarHBondContact O-CB 3.45Å; V1055-L1059 WeakPolarHBondContact O-CG 3.39Å; V1055-L1059 PolarHBondContact O-N 2.98Å; L1056-L1059 PolarHBondContact O-N 3.17Å; L1059-F1063 VanDerWaalsContact O-CB 3.27Å; L1059-F1063 WeakPolarHBondContact O-CB 3.41Å; L1059-F1063 PolarHBondContact O-N 3.02Å |
| 1060 | L | 86.6 | Confident | 80.7 | Confident | 100 Ų | 100 | 98.2 Ų | 98.2 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 173.5 | -79.4 | 169.1 | 0 | 0 | 0 | 112 | L1056 A1057 V1058 F1063 V1064 | L1056-L1060 HydrophobicContact CD2-CD1 4.36Å; L1056-L1060 WeakPolarHBondContact O-CB 3.42Å; L1056-L1060 WeakPolarHBondContact O-CG 3.39Å; L1056-L1060 PolarHBondContact O-N 3.49Å; A1057-L1060 PolarHBondContact O-N 3.1Å; V1058-L1060 VanDerWaalsContact C-N 3.34Å; V1058-L1060 PolarHBondContact O-N 3.22Å; L1060-F1063 PolarHBondContact O-N 3.22Å; L1060-V1064 WeakPolarHBondContact O-CB 3.49Å; L1060-V1064 VanDerWaalsContact O-CG2 3.27Å; L1060-V1064 WeakPolarHBondContact O-CG2 3.49Å; L1060-V1064 PolarHBondContact O-N 3.42Å |
| 1061 | I | 87.9 | Confident | 80.1 | Confident | 121 Ų | 121 | 102.1 Ų | 102.1 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -45.4 | 176.1 | -67.8 | 164.4 | 0 | 0 | 0 | 110.4 | A1057 V1058 V1064 A1065 | A1057-I1061 VanDerWaalsContact O-CG1 3.29Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.13Å; A1057-I1061 PolarHBondContact O-N 3.26Å; V1058-I1061 PolarHBondContact O-N 3.28Å; I1061-V1064 PolarHBondContact O-N 3.28Å; I1061-A1065 WeakPolarHBondContact O-CB 3.33Å; I1061-A1065 PolarHBondContact O-N 3.28Å |
| 1062 | L | 84.5 | Confident | 79.4 | Confident | 91 Ų | 91 | 102.2 Ų | 102.2 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 174.9 | -83.4 | 162.6 | 0 | 0 | 0 | 111.5 | V1058 V1064 A1065 I1066 | V1058-L1062 HydrophobicContact CG1-CD1 4.06Å; V1058-L1062 WeakPolarHBondContact O-CB 3.27Å; V1058-L1062 PolarHBondContact O-N 2.96Å; L1062-V1064 PolarHBondContact O-N 3.33Å; L1062-A1065 PolarHBondContact O-N 3.5Å; L1062-I1066 WeakPolarHBondContact O-CB 3.42Å; L1062-I1066 WeakPolarHBondContact O-CG1 3.44Å; L1062-I1066 PolarHBondContact O-N 3.08Å |
| 1063 | F | 87.4 | Confident | 78 | Confident | 113 Ų | 113 | 104.6 Ų | 104.6 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 177.5 | -176.6 | -99.7 | 0 | 0 | 0 | 112.3 | L1059 L1060 K1067 | L1059-F1063 VanDerWaalsContact O-CB 3.27Å; L1059-F1063 WeakPolarHBondContact O-CB 3.41Å; L1059-F1063 PolarHBondContact O-N 3.02Å; L1060-F1063 PolarHBondContact O-N 3.22Å; F1063-K1067 HydrophobicContact CE1-CD 3.77Å; F1063-K1067 HydrophobicContact CE1-CG 4.23Å; F1063-K1067 HydrophobicContact CZ-CD 4.04Å; F1063-K1067 HydrophobicContact CZ-CG 4.3Å; F1063-K1067 WeakPolarHBondContact O-CB 3.38Å; F1063-K1067 PolarHBondContact O-N 3.43Å |
| 1064 | V | 85 | Confident | 76.4 | Confident | 91 Ų | 91 | 106.2 Ų | 106.2 | 55% | 0.552 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 174.2 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L1060 I1061 L1062 K1067 R1068 | L1060-V1064 WeakPolarHBondContact O-CB 3.49Å; L1060-V1064 VanDerWaalsContact O-CG2 3.27Å; L1060-V1064 WeakPolarHBondContact O-CG2 3.49Å; L1060-V1064 PolarHBondContact O-N 3.42Å; I1061-V1064 PolarHBondContact O-N 3.28Å; L1062-V1064 PolarHBondContact O-N 3.33Å; V1064-K1067 PolarHBondContact O-N 2.9Å; V1064-R1068 VanDerWaalsContact O-CB 3.31Å; V1064-R1068 WeakPolarHBondContact O-CB 3.44Å; V1064-R1068 PolarHBondContact O-N 2.93Å |
| 1065 | A | 80.9 | Confident | 74.5 | Confident | 41 Ų | 41 | 111 Ų | 111 | 34% | 0.339 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1061 L1062 R1068 I1069 | I1061-A1065 WeakPolarHBondContact O-CB 3.33Å; I1061-A1065 PolarHBondContact O-N 3.28Å; L1062-A1065 PolarHBondContact O-N 3.5Å; A1065-R1068 WeakPolarHBondContact O-CB 3.21Å; A1065-R1068 PolarHBondContact O-N 3.41Å; A1065-R1068 VanDerWaalsContact O-N 3.15Å; A1065-I1069 VanDerWaalsContact O-CG1 3.29Å; A1065-I1069 WeakPolarHBondContact O-CG1 3.45Å; A1065-I1069 PolarHBondContact O-N 3.39Å |
| 1066 | I | 81.3 | Confident | 72.4 | Confident | 102 Ų | 102 | 110.6 Ų | 110.6 | 52% | 0.523 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.1 | -45.4 | 176.6 | -67.6 | 164.8 | 0 | 0 | 0 | 110.4 | L1062 R1068 I1069 H1070 | L1062-I1066 WeakPolarHBondContact O-CB 3.42Å; L1062-I1066 WeakPolarHBondContact O-CG1 3.44Å; L1062-I1066 PolarHBondContact O-N 3.08Å; I1066-R1068 VanDerWaalsContact C-N 3.29Å; I1066-R1068 PolarHBondContact O-N 3.36Å; I1066-I1069 PolarHBondContact O-N 3.21Å; I1066-H1070 VanDerWaalsContact O-CB 3.28Å; I1066-H1070 WeakPolarHBondContact O-CB 3.25Å; I1066-H1070 PolarHBondContact O-N 3.36Å |
| 1067 | K | 74.4 | Confident | 70.1 | Confident | 129 Ų | 129 | 109.9 Ų | 109.9 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.6 | -35.1 | 174.9 | -95.3 | -162.5 | 172.5 | -179.4 | 0 | 112.8 | F1063 V1064 R1071 | F1063-K1067 HydrophobicContact CE1-CD 3.77Å; F1063-K1067 HydrophobicContact CE1-CG 4.23Å; F1063-K1067 HydrophobicContact CZ-CD 4.04Å; F1063-K1067 HydrophobicContact CZ-CG 4.3Å; F1063-K1067 WeakPolarHBondContact O-CB 3.38Å; F1063-K1067 PolarHBondContact O-N 3.43Å; V1064-K1067 PolarHBondContact O-N 2.9Å; K1067-R1071 WeakPolarHBondContact O-CB 3.17Å; K1067-R1071 PolarHBondContact O-N 3.23Å |
| 1068 | R | 71.6 | Confident | 67.5 | Low | 191 Ų | 191 | 115 Ų | 115 | 72% | 0.721 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.6 | -44.2 | 178.1 | -154.3 | 177.5 | -169.2 | -172 | 2.7 | 110.7 | V1064 A1065 I1066 R1071 V1072 | V1064-R1068 VanDerWaalsContact O-CB 3.31Å; V1064-R1068 WeakPolarHBondContact O-CB 3.44Å; V1064-R1068 PolarHBondContact O-N 2.93Å; A1065-R1068 WeakPolarHBondContact O-CB 3.21Å; A1065-R1068 PolarHBondContact O-N 3.41Å; A1065-R1068 VanDerWaalsContact O-N 3.15Å; I1066-R1068 VanDerWaalsContact C-N 3.29Å; I1066-R1068 PolarHBondContact O-N 3.36Å; R1068-R1071 PolarHBondContact O-N 3.43Å; R1068-V1072 VanDerWaalsContact O-CG2 3.3Å; R1068-V1072 WeakPolarHBondContact O-CG2 3.4Å; R1068-V1072 PolarHBondContact O-N 2.87Å |
| 1069 | I | 74.2 | Confident | 64.9 | Low | 114 Ų | 114 | 119 Ų | 119 | 59% | 0.585 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.5 | -44.5 | 174 | -66.5 | 164.9 | 0 | 0 | 0 | 110.1 | A1065 I1066 R1071 V1072 H1073 | A1065-I1069 VanDerWaalsContact O-CG1 3.29Å; A1065-I1069 WeakPolarHBondContact O-CG1 3.45Å; A1065-I1069 PolarHBondContact O-N 3.39Å; I1066-I1069 PolarHBondContact O-N 3.21Å; I1069-R1071 PolarHBondContact O-N 3.49Å; I1069-V1072 PolarHBondContact O-N 3.44Å; I1069-V1072 VanDerWaalsContact O-N 3.17Å; I1069-H1073 WeakPolarHBondContact O-CB 3.45Å; I1069-H1073 PolarHBondContact O-N 2.86Å |
| 1070 | H | 65 | Low | 62.3 | Low | 115 Ų | 115 | 121.9 Ų | 121.9 | 53% | 0.532 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.8 | -35.7 | 178.3 | -160.8 | -38.1 | 0 | 0 | 0 | 112.7 | I1066 H1073 L1074 | I1066-H1070 VanDerWaalsContact O-CB 3.28Å; I1066-H1070 WeakPolarHBondContact O-CB 3.25Å; I1066-H1070 PolarHBondContact O-N 3.36Å; H1070-H1073 PolarHBondContact O-N 3.46Å; H1070-L1074 VanDerWaalsContact ND1-CD1 3.29Å; H1070-L1074 WeakPolarHBondContact ND1-CD1 3.48Å; H1070-L1074 WeakPolarHBondContact O-CB 3.31Å; H1070-L1074 WeakPolarHBondContact O-CG 3.28Å; H1070-L1074 PolarHBondContact O-N 2.84Å |
| 1071 | R | 57.9 | Low | 59.7 | Low | 201 Ų | 201 | 124.3 Ų | 124.3 | 76% | 0.758 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.2 | -37.9 | 171.8 | -103.4 | -168.7 | -169.5 | 178.6 | 4.7 | 112.6 | K1067 R1068 I1069 K1075 | K1067-R1071 WeakPolarHBondContact O-CB 3.17Å; K1067-R1071 PolarHBondContact O-N 3.23Å; R1068-R1071 PolarHBondContact O-N 3.43Å; I1069-R1071 PolarHBondContact O-N 3.49Å; R1071-K1075 PolarHBondContact O-N 3.18Å; R1071-K1075 VanDerWaalsContact O-N 3.13Å |
| 1072 | V | 64.1 | Low | 56.9 | Low | 98 Ų | 98 | 126.9 Ų | 126.9 | 59% | 0.594 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.8 | -41.9 | 177 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | R1068 I1069 L1074 K1075 S1076 | R1068-V1072 VanDerWaalsContact O-CG2 3.3Å; R1068-V1072 WeakPolarHBondContact O-CG2 3.4Å; R1068-V1072 PolarHBondContact O-N 2.87Å; I1069-V1072 PolarHBondContact O-N 3.44Å; I1069-V1072 VanDerWaalsContact O-N 3.17Å; V1072-L1074 PolarHBondContact O-N 2.83Å; V1072-K1075 PolarHBondContact O-N 2.75Å; V1072-S1076 PolarHBondContact O-N 2.88Å |
| 1073 | H | 47.4 | Very low | 54.2 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 53% | 0.528 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66 | -36.3 | 177.2 | -143.1 | -62.9 | 0 | 0 | 0 | 112.6 | I1069 H1070 S1076 N1077 | I1069-H1073 WeakPolarHBondContact O-CB 3.45Å; I1069-H1073 PolarHBondContact O-N 2.86Å; H1070-H1073 PolarHBondContact O-N 3.46Å; H1073-S1076 PolarHBondContact O-N 3.19Å; H1073-N1077 PolarHBondContact O-N 2.98Å |
| 1074 | L | 47.6 | Very low | 51.3 | Low | 112 Ų | 112 | 129.7 Ų | 129.7 | 59% | 0.586 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.4 | -28.7 | 174.2 | -79.7 | 165.4 | 0 | 0 | 0 | 113.2 | H1070 V1072 | H1070-L1074 VanDerWaalsContact ND1-CD1 3.29Å; H1070-L1074 WeakPolarHBondContact ND1-CD1 3.48Å; H1070-L1074 WeakPolarHBondContact O-CB 3.31Å; H1070-L1074 WeakPolarHBondContact O-CG 3.28Å; H1070-L1074 PolarHBondContact O-N 2.84Å; V1072-L1074 PolarHBondContact O-N 2.83Å |
| 1075 | K | 38.6 | Very low | 48.4 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.9 | -28.1 | 173.2 | -93.6 | -172.3 | 172.1 | -171.7 | 0 | 113.2 | R1071 V1072 | R1071-K1075 PolarHBondContact O-N 3.18Å; R1071-K1075 VanDerWaalsContact O-N 3.13Å; V1072-K1075 PolarHBondContact O-N 2.75Å |
| 1076 | S | 41.6 | Very low | 45.7 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 49% | 0.49 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -68.4 | -41.4 | 176.8 | -168.3 | 0 | 0 | 0 | 0 | 112 | V1072 H1073 H1078 F1079 | V1072-S1076 PolarHBondContact O-N 2.88Å; H1073-S1076 PolarHBondContact O-N 3.19Å; S1076-H1078 PolarHBondContact O-N 3Å; S1076-H1078 VanDerWaalsContact O-N 3.16Å; S1076-F1079 PolarHBondContact O-N 2.98Å |
| 1077 | N | 36.9 | Very low | 42.9 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 52% | 0.524 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.7 | -10.1 | -177.7 | -72.5 | 8.6 | 0 | 0 | 0 | 114.2 | H1073 | H1073-N1077 PolarHBondContact O-N 2.98Š|
| 1078 | H | 31.5 | Very low | 40.5 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -7.2 | 176.4 | -133.1 | 20.1 | 0 | 0 | 0 | 113.7 | S1076 | S1076-H1078 PolarHBondContact O-N 3Å; S1076-H1078 VanDerWaalsContact O-N 3.16Å |
| 1079 | F | 31.8 | Very low | 38.5 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 74% | 0.737 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -18 | -178.3 | -124.6 | -90 | 0 | 0 | 0 | 113.9 | S1076 | S1076-F1079 PolarHBondContact O-N 2.98Š|
| 1080 | E | 31.3 | Very low | 36.2 | Very low | 164 Ų | 164 | 142 Ų | 142 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -12.3 | 179.6 | -91.8 | -173 | 150.9 | 0 | 0 | 115 | ||
| 1081 | L | 33.6 | Very low | 34.4 | Very low | 152 Ų | 152 | 146 Ų | 146 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -5.9 | -179.5 | -89.1 | 157.9 | 0 | 0 | 0 | 115 | ||
| 1082 | Q | 29 | Very low | 33.1 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -112.9 | -1 | -178.9 | -74.9 | -169.2 | -28.8 | 0 | 0 | 115.1 | ||
| 1083 | A | 27.3 | Very low | 31.7 | Very low | 83 Ų | 83 | 144.2 Ų | 144.2 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 2.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1084 | Q | 26.5 | Very low | 30.9 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 6.6 | -178.2 | -83.9 | -172 | -8.7 | 0 | 0 | 115.9 | ||
| 1085 | N | 23.4 | Very low | 30.2 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | -142.3 | 90.3 | 174.7 | -84.9 | -38.3 | 0 | 0 | 0 | 111.2 | ||||
| 1086 | L | 24.7 | Very low | 29.8 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | trans | -156.7 | 98.2 | 148.5 | -130.8 | 85.9 | 0 | 0 | 0 | 110 | ||||
| 1087 | Q | 23.3 | Very low | 29.3 | Very low | 195 Ų | 195 | 143 Ų | 143 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | trans | -75.9 | 126.9 | 161.5 | -73.5 | 175.3 | -30.4 | 0 | 0 | 108.3 | ||||
| 1088 | M | 24.2 | Very low | 29.1 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | trans | -143.2 | 136 | 157.7 | -109.3 | 176.9 | 80.2 | 0 | 0 | 111.1 | ||||
| 1089 | T | 28.3 | Very low | 29.1 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -87.5 | 159.4 | -160.7 | 43.8 | 0 | 0 | 0 | 0 | 114 | F1091 | T1089-F1091 PolarHBondContact O-N 2.83Š| ||
| 1090 | P | 26.8 | Very low | 28.9 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -87.3 | 107.8 | -173.6 | 32.8 | -30.9 | 0 | 0 | 0 | 112.5 | ||||
| 1091 | F | 26.8 | Very low | 28.8 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | trans | -152.1 | 97.4 | 160.2 | -106.6 | -85.7 | 0 | 0 | 0 | 108.1 | T1089 | T1089-F1091 PolarHBondContact O-N 2.83Š| ||
| 1092 | D | 30.5 | Very low | 28.6 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 173.6 | 18.1 | 146.1 | -96.7 | -19.2 | 0 | 0 | 0 | 116 | ||
| 1093 | I | 33.8 | Very low | 28.6 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 67% | 0.672 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -83.8 | -16.3 | 173 | -64.9 | 177.1 | 0 | 0 | 0 | 112.6 | ||
| 1094 | N | 31.1 | Very low | 28.6 | Very low | 123 Ų | 123 | 151 Ų | 151 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -80 | -14.5 | 178.5 | -74.4 | -17.1 | 0 | 0 | 0 | 113.9 | ||
| 1095 | A | 33.7 | Very low | 28.6 | Very low | 58 Ų | 58 | 150.3 Ų | 150.3 | 48% | 0.479 | 76% | 0.756 | S | S | . | * | H | α-helix | trans | -76.7 | -30.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1096 | L | 30.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 146.2 Ų | 146.2 | 62% | 0.623 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -79.8 | -24.8 | 179 | -94.1 | 145.2 | 0 | 0 | 0 | 113.6 | Q1098 | L1096-Q1098 VanDerWaalsContact C-N 3.33Å; L1096-Q1098 PolarHBondContact O-N 3.37Å |
| 1097 | K | 31.9 | Very low | 28.7 | Very low | 142 Ų | 142 | 150.2 Ų | 150.2 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -73.3 | -21.8 | 176.8 | -78.8 | -177.4 | 176 | 178 | 0 | 113.9 | ||
| 1098 | Q | 32.3 | Very low | 28.6 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -86.8 | -27.3 | -179.8 | -104.5 | 174.7 | -24.1 | 0 | 0 | 113.5 | L1096 | L1096-Q1098 VanDerWaalsContact C-N 3.33Å; L1096-Q1098 PolarHBondContact O-N 3.37Å |
| 1099 | Q | 30.5 | Very low | 28.5 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -81.6 | -23.8 | 179.5 | -78.6 | -173.3 | -39.7 | 0 | 0 | 114.3 | ||
| 1100 | M | 29 | Very low | 28.3 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -81.9 | -15.6 | 177.3 | -74.6 | -177.3 | 60.9 | 0 | 0 | 113.7 | E1102 | M1100-E1102 VanDerWaalsContact C-N 3.32Š|
| 1101 | N | 28.6 | Very low | 28.1 | Very low | 139 Ų | 139 | 150.8 Ų | 150.8 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -85 | 1.9 | 177.2 | -80.8 | -9.8 | 0 | 0 | 0 | 114.2 | ||
| 1102 | E | 29.4 | Very low | 28 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -103.2 | 1.9 | 175.3 | -79.7 | -172.6 | 157 | 0 | 0 | 114.3 | M1100 | M1100-E1102 VanDerWaalsContact C-N 3.32Š|
| 1103 | Y | 28.5 | Very low | 27.6 | Very low | 214 Ų | 214 | 145.2 Ų | 145.2 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -119 | 6.9 | -173.1 | -143.6 | -99.7 | 0 | 0 | 0 | 116.7 | ||
| 1104 | Q | 27.2 | Very low | 27 | Very low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -132.2 | 18.8 | 178.3 | -72 | -158.7 | -23.4 | 0 | 0 | 116 | ||
| 1105 | D | 25.7 | Very low | 26.6 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | -101.1 | 77.3 | 165.3 | -139.3 | 0.9 | 0 | 0 | 0 | 109.2 | ||||
| 1106 | G | 24.9 | Very low | 26.2 | Very low | 61 Ų | 61 | 155.3 Ų | 155.3 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | trans | -175.4 | 42.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1107 | R | 25.3 | Very low | 25.8 | Very low | 251 Ų | 251 | 160 Ų | 160 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | -173.5 | 97.9 | 145.4 | -108.2 | 172.7 | -110.2 | -172.6 | -5 | 111.7 | ||||
| 1108 | K | 21.7 | Very low | 25.3 | Very low | 197 Ų | 197 | 160 Ų | 160 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -92.6 | 144.7 | 157.3 | -76.7 | 177.2 | 177.2 | 171.4 | 0 | 108.8 | ||||
| 1109 | S | 23.3 | Very low | 25 | Very low | 109 Ų | 109 | 158.1 Ų | 158.1 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | 121.3 | 123.9 | 169.1 | 75.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1110 | E | 24 | Very low | 24.6 | Very low | 179 Ų | 179 | 162 Ų | 162 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | cis | -146.5 | 136.6 | 45.4 | -75.1 | 168.9 | 146.5 | 0 | 0 | 112.6 | ||||
| 1111 | T | 21.7 | Very low | 24.4 | Very low | 141 Ų | 141 | 160.7 Ų | 160.7 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -63.5 | 128.3 | 155.8 | 40.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1112 | S | 24.2 | Very low | 24.1 | Very low | 114 Ų | 114 | 159.6 Ų | 159.6 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -131.7 | 106.4 | 156.3 | -80.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1113 | A | 22.6 | Very low | 23.7 | Very low | 97 Ų | 97 | 157.9 Ų | 157.9 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | 59.9 | 100.3 | 141 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1114 | E | 22.2 | Very low | 23.3 | Very low | 169 Ų | 169 | 153 Ų | 153 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -31.7 | 153.6 | 131.8 | -74.2 | 178.8 | 131.7 | 0 | 0 | 115.7 | ||||
| 1115 | K | 21.6 | Very low | 23 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | 85 | 102.7 | 157.8 | -72.4 | 168.1 | -178.2 | 168 | 0 | 118.3 | ||||
| 1116 | L | 26.1 | Very low | 22.8 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | -169.7 | 82.4 | 128 | -97.2 | 152.4 | 0 | 0 | 0 | 106.2 | |||||
| 1117 | R | 21.4 | Very low | 22.6 | Very low | 216 Ų | 216 | 155.7 Ų | 155.7 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | 37.4 | 115.3 | 92.2 | -116.3 | -172.1 | -176.4 | 174.7 | 2.2 | 115.9 | |||||
| 1118 | N | 21.7 | Very low | 22.4 | Very low | 143 Ų | 143 | 150 Ų | 150 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | 73.3 | 114.1 | 144.2 | -66.9 | -5.9 | 0 | 0 | 0 | 120.7 | ||||
| 1119 | S | 25.4 | Very low | 22.2 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | 174.4 | 103.8 | 118.6 | 52.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1120 | R | 21 | Very low | 22.1 | Very low | 235 Ų | 235 | 148.7 Ų | 148.7 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | 46.2 | 103.8 | 91 | -85.6 | -170.8 | 177.2 | 177.2 | -1.5 | 115.4 | |||||
| 1121 | S | 26.7 | Very low | 21.9 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -155.6 | 87.3 | 138.6 | 58.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1122 | N | 22.1 | Very low | 21.8 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | 55.3 | 103.9 | 88.9 | -83.9 | 42.5 | 0 | 0 | 0 | 114.8 | |||||
| 1123 | D | 20.7 | Very low | 21.7 | Very low | 138 Ų | 138 | 149.3 Ų | 149.3 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | 100.5 | 134 | 116.4 | -67.1 | -22.6 | 0 | 0 | 0 | 121.7 | |||||
| 1124 | C | 20.2 | Very low | 21.5 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | 85 | 93.2 | 155.2 | -68.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1125 | N | 21 | Very low | 21.5 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | 88.3 | 110.5 | 71.8 | -87.7 | -9.7 | 0 | 0 | 0 | 113.3 | |||||
| 1126 | S | 22.1 | Very low | 21.6 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -168.7 | 88.1 | 134.1 | 36.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1127 | Q | 20 | Very low | 21.2 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -117.7 | 112.4 | 151 | -86.6 | -176.3 | -24.6 | 0 | 0 | 107 | ||||
| 1128 | T | 20.9 | Very low | 21.3 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | -159 | 105.1 | 159.5 | -15.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1129 | I | 18.5 | Very low | 21.3 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | 55.9 | 104.6 | 76.9 | -58.2 | -178.2 | 0 | 0 | 0 | 113 | |||||
| 1130 | I | 19.4 | Very low | 21.2 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | trans | 47.9 | 118.8 | 134.9 | -49.1 | 172.6 | 0 | 0 | 0 | 118.6 | ||||
| 1131 | N | 20.8 | Very low | 21.2 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | 177 | 116.6 | 126.2 | -88.3 | -30.5 | 0 | 0 | 0 | 108.3 | |||||
| 1132 | H | 19.6 | Very low | 21.2 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | 61.7 | 124.7 | 85.7 | -96.2 | -10.1 | 0 | 0 | 0 | 116.3 | |||||
| 1133 | H | 21.2 | Very low | 21 | Very low | 145 Ų | 145 | 154.7 Ų | 154.7 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | 92.5 | 117.3 | 150.7 | -76.5 | -36.3 | 0 | 0 | 0 | 121.1 | ||||
| 1134 | Q | 20 | Very low | 21.1 | Very low | 141 Ų | 141 | 153.7 Ų | 153.7 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | 86.2 | 116.7 | 122.1 | -76.3 | 175.8 | -7.3 | 0 | 0 | 118.9 | |||||
| 1135 | Q | 20.4 | Very low | 21.2 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | 115.2 | 132 | 109.6 | -95.4 | 175.4 | -9.3 | 0 | 0 | 118.9 | |||||
| 1136 | H | 24.1 | Very low | 21.1 | Very low | 139 Ų | 139 | 159.2 Ų | 159.2 | 64% | 0.644 | 78% | 0.779 | S | S | * | * | trans | 72.7 | 111.1 | 159.4 | -65.6 | -66.1 | 0 | 0 | 0 | 118.1 | ||||
| 1137 | E | 18.6 | Very low | 21.1 | Very low | 157 Ų | 157 | 160.2 Ų | 160.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 57.6 | 100.5 | 74.2 | -72.5 | -177.1 | 153.1 | 0 | 0 | 113.1 | |||||
| 1138 | N | 23.6 | Very low | 21.1 | Very low | 150 Ų | 150 | 155.6 Ų | 155.6 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | -173.8 | 143.3 | 107.4 | -97.4 | -31 | 0 | 0 | 0 | 113.8 | |||||
| 1139 | E | 20.5 | Very low | 21.1 | Very low | 162 Ų | 162 | 155.1 Ų | 155.1 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | -25 | 139.7 | 163.4 | -53.2 | 175.7 | 139 | 0 | 0 | 117.3 | ||||
| 1140 | Q | 24.1 | Very low | 21.3 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | 179.8 | 127.3 | 98.1 | -95.1 | -178.9 | 9.5 | 0 | 0 | 112.8 | |||||
| 1141 | K | 20.9 | Very low | 21.8 | Very low | 202 Ų | 202 | 153.1 Ų | 153.1 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | trans | -17.5 | 120.9 | 155.2 | -65.3 | 166 | 176.5 | 172.1 | 0 | 115.7 | ||||
| 1142 | K | 26 | Very low | 21.9 | Very low | 202 Ų | 202 | 155.8 Ų | 155.8 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | trans | -146.4 | 107.9 | 131.6 | -94.2 | -177.5 | -175 | 177.3 | 0 | 108.5 | P1144 | K1142-P1144 WeakPolarHBondContact O-CD 3.12Š| ||
| 1143 | Q | 19.6 | Very low | 22.2 | Very low | 196 Ų | 196 | 154.8 Ų | 154.8 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -66.8 | 130 | 164.2 | -72.4 | 172.7 | -12.5 | 0 | 0 | 108.9 | ||||
| 1144 | P | 22 | Very low | 22.4 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -97.4 | 121.4 | 149.8 | 15.7 | 2.6 | 0 | 0 | 0 | 108.7 | K1142 | K1142-P1144 WeakPolarHBondContact O-CD 3.12Š| ||
| 1145 | L | 21.5 | Very low | 22.8 | Very low | 152 Ų | 152 | 155.2 Ų | 155.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -2.2 | 113.6 | 163.9 | -73 | 108.6 | 0 | 0 | 0 | 117.7 | I1147 | L1145-I1147 VanDerWaalsContact C-N 3.34Å; L1145-I1147 HydrophobicContact CB-CG1 4.47Å; L1145-I1147 PolarHBondContact O-N 3.12Å; L1145-I1147 VanDerWaalsContact O-N 3.08Å | ||
| 1146 | R | 18.9 | Very low | 23.2 | Very low | 232 Ų | 232 | 151.4 Ų | 151.4 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | trans | -70.5 | 86.7 | 156.3 | -162.1 | -174.7 | -150.8 | -179 | 5.4 | 108.4 | T1148 | R1146-T1148 VanDerWaalsContact C-N 3.34Å; R1146-T1148 HydrophobicContact CG-CG2 4.14Å; R1146-T1148 PolarHBondContact O-N 2.89Å | ||
| 1147 | I | 22.2 | Very low | 23.4 | Very low | 143 Ų | 143 | 149.6 Ų | 149.6 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -83.7 | 90.2 | 157.2 | -58.3 | 176.2 | 0 | 0 | 0 | 105.3 | L1145 P1149 | L1145-I1147 VanDerWaalsContact C-N 3.34Å; L1145-I1147 HydrophobicContact CB-CG1 4.47Å; L1145-I1147 PolarHBondContact O-N 3.12Å; L1145-I1147 VanDerWaalsContact O-N 3.08Å; I1147-P1149 VanDerWaalsContact O-CD 3.3Å; I1147-P1149 WeakPolarHBondContact O-CD 3.15Å | ||
| 1148 | T | 20.7 | Very low | 23.8 | Very low | 93 Ų | 93 | 148.7 Ų | 148.7 | 57% | 0.571 | 75% | 0.752 | S | S | * | * | trans | -68.6 | 117.4 | 161.3 | 32.5 | 0 | 0 | 0 | 0 | 108 | R1146 N1150 | R1146-T1148 VanDerWaalsContact C-N 3.34Å; R1146-T1148 HydrophobicContact CG-CG2 4.14Å; R1146-T1148 PolarHBondContact O-N 2.89Å; T1148-N1150 PolarHBondContact O-N 2.84Å | ||
| 1149 | P | 21.2 | Very low | 24.1 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -75.4 | 103.6 | 166.6 | 30 | -26.7 | 0 | 0 | 0 | 107 | I1147 | I1147-P1149 VanDerWaalsContact O-CD 3.3Å; I1147-P1149 WeakPolarHBondContact O-CD 3.15Å | ||
| 1150 | N | 22 | Very low | 24.5 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -87.7 | 155.6 | 166.5 | -119.7 | 22.7 | 0 | 0 | 0 | 109.5 | T1148 | T1148-N1150 PolarHBondContact O-N 2.84Š| ||
| 1151 | P | 29.4 | Very low | 24.7 | Very low | 88 Ų | 88 | 147.5 Ų | 147.5 | 57% | 0.571 | 73% | 0.733 | S | S | * | * | -116.2 | 163.5 | -118.5 | 5.9 | 18.7 | 0 | 0 | 0 | 112.4 | |||||
| 1152 | F | 23.4 | Very low | 25.1 | Very low | 200 Ų | 200 | 144 Ų | 144 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | trans | 36.9 | 92.1 | 149.5 | -68.1 | -81.1 | 0 | 0 | 0 | 116.7 | N1154 | F1152-N1154 PolarHBondContact O-N 3.21Å; F1152-N1154 VanDerWaalsContact O-N 3.13Å | ||
| 1153 | V | 25.5 | Very low | 25.2 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | trans | -65.2 | 109.3 | 154.4 | 178.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1154 | N | 25.7 | Very low | 25.5 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 63% | 0.631 | 68% | 0.679 | S | S | * | * | trans | -73.3 | 140.4 | -174.9 | -149.7 | -2.6 | 0 | 0 | 0 | 109.7 | F1152 S1156 D1157 | F1152-N1154 PolarHBondContact O-N 3.21Å; F1152-N1154 VanDerWaalsContact O-N 3.13Å; N1154-S1156 PolarHBondContact O-N 2.85Å; N1154-D1157 PolarHBondContact O-N 2.9Å | ||
| 1155 | Q | 28.8 | Very low | 25.8 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 83% | 0.827 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 3.9 | -177.5 | -103.4 | 174.8 | -15.8 | 0 | 0 | 114.9 | ||
| 1156 | S | 27.4 | Very low | 26.1 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 45% | 0.448 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.9 | -30.3 | 174.5 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | N1154 M1158 K1159 | N1154-S1156 PolarHBondContact O-N 2.85Å; S1156-M1158 PolarHBondContact O-N 3.25Å; S1156-K1159 PolarHBondContact O-N 3.02Å |
| 1157 | D | 28.9 | Very low | 26.5 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -80.8 | -19.5 | -170.8 | -63 | -4.1 | 0 | 0 | 0 | 112.7 | N1154 | N1154-D1157 PolarHBondContact O-N 2.9Å |
| 1158 | M | 27.3 | Very low | 26.6 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 68% | 0.68 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73.6 | -25.2 | 171 | -76.6 | -153.3 | 73.4 | 0 | 0 | 113.1 | S1156 E1160 E1162 | S1156-M1158 PolarHBondContact O-N 3.25Å; M1158-E1160 VanDerWaalsContact C-N 3.34Å; M1158-E1162 PolarHBondContact O-N 2.98Å |
| 1159 | K | 30 | Very low | 26.9 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.8 | -25.6 | 175.3 | -77.2 | -170.3 | 175.6 | -175.8 | 0 | 112.6 | S1156 A1163 | S1156-K1159 PolarHBondContact O-N 3.02Å; K1159-A1163 VanDerWaalsContact O-CB 3.28Å; K1159-A1163 WeakPolarHBondContact O-CB 3Å; K1159-A1163 PolarHBondContact O-N 3.33Å |
| 1160 | E | 28.6 | Very low | 27.1 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 53% | 0.533 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -77.8 | -29.8 | 176.4 | -149.4 | -171.5 | 145 | 0 | 0 | 112.3 | M1158 K1164 | M1158-E1160 VanDerWaalsContact C-N 3.34Å; E1160-K1164 WeakPolarHBondContact O-CB 3.35Å; E1160-K1164 PolarHBondContact O-N 3.04Å; E1160-K1164 VanDerWaalsContact O-N 3.1Å; E1160-K1164 IonicContact OE1-NZ 3.98Å; E1160-K1164 PolarHBondContact OE1-NZ 3.12Å |
| 1161 | Y | 29 | Very low | 27.2 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 74% | 0.741 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -75.7 | -36.5 | 177.5 | -131.1 | -88.8 | 0 | 0 | 0 | 112.9 | T1165 | Y1161-T1165 PolarHBondContact O-N 2.87Å; Y1161-T1165 PolarHBondContact O-OG1 2.96Å |
| 1162 | E | 28.8 | Very low | 27 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 59% | 0.593 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.4 | -32.5 | 172.3 | -74.4 | -175.4 | 164 | 0 | 0 | 112.4 | M1158 T1165 I1166 | M1158-E1162 PolarHBondContact O-N 2.98Å; E1162-T1165 PolarHBondContact O-OG1 3.16Å; E1162-I1166 WeakPolarHBondContact O-CG1 3.35Å; E1162-I1166 PolarHBondContact O-N 3.34Å |
| 1163 | A | 27.6 | Very low | 27 | Very low | 49 Ų | 49 | 139 Ų | 139 | 41% | 0.405 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -72.5 | -32.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1159 L1167 | K1159-A1163 VanDerWaalsContact O-CB 3.28Å; K1159-A1163 WeakPolarHBondContact O-CB 3Å; K1159-A1163 PolarHBondContact O-N 3.33Å; A1163-L1167 PolarHBondContact O-N 3.36Å |
| 1164 | K | 26.2 | Very low | 26.8 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 56% | 0.557 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.5 | -25.1 | 177.8 | -96 | 169.1 | 177.1 | 152.3 | 0 | 114.2 | E1160 | E1160-K1164 WeakPolarHBondContact O-CB 3.35Å; E1160-K1164 PolarHBondContact O-N 3.04Å; E1160-K1164 VanDerWaalsContact O-N 3.1Å; E1160-K1164 IonicContact OE1-NZ 3.98Å; E1160-K1164 PolarHBondContact OE1-NZ 3.12Å |
| 1165 | T | 27.7 | Very low | 26.6 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 57% | 0.571 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -81.4 | -22.7 | 176.3 | 26.8 | 0 | 0 | 0 | 0 | 113 | Y1161 E1162 | Y1161-T1165 PolarHBondContact O-N 2.87Å; Y1161-T1165 PolarHBondContact O-OG1 2.96Å; E1162-T1165 PolarHBondContact O-OG1 3.16Å |
| 1166 | I | 29.4 | Very low | 26.2 | Very low | 130 Ų | 130 | 135 Ų | 135 | 67% | 0.667 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -83.1 | -26.1 | 175.2 | -63.6 | 170.6 | 0 | 0 | 0 | 111.9 | E1162 | E1162-I1166 WeakPolarHBondContact O-CG1 3.35Å; E1162-I1166 PolarHBondContact O-N 3.34Å |
| 1167 | L | 25.6 | Very low | 26 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 60% | 0.597 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 1.6 | -177.6 | -89.6 | 157.5 | 0 | 0 | 0 | 115.8 | A1163 | A1163-L1167 PolarHBondContact O-N 3.36Š|
| 1168 | L | 25.1 | Very low | 25.6 | Very low | 139 Ų | 139 | 141 Ų | 141 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -12.1 | 177.6 | -81.1 | 164.5 | 0 | 0 | 0 | 114.4 | ||
| 1169 | D | 26.4 | Very low | 25.3 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -92.5 | -12.1 | 177.1 | -93.5 | -15.5 | 0 | 0 | 0 | 114.3 | ||
| 1170 | E | 26.8 | Very low | 24.9 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -9.3 | 179.7 | -74.3 | -171.8 | 158.1 | 0 | 0 | 114.5 | ||
| 1171 | K | 23.9 | Very low | 24.6 | Very low | 197 Ų | 197 | 139 Ų | 139 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 13.7 | -176.8 | -85.8 | -167.4 | 177.2 | -177 | 0 | 116.4 | ||
| 1172 | R | 24.6 | Very low | 24.3 | Very low | 225 Ų | 225 | 134.9 Ų | 134.9 | 85% | 0.849 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -117.2 | 0.9 | 178.3 | -94.2 | -175.1 | 177.4 | -177.9 | -0.4 | 117.3 | ||
| 1173 | Y | 24.6 | Very low | 24 | Very low | 214 Ų | 214 | 135.8 Ų | 135.8 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -135.3 | 59.6 | 174.3 | -78.7 | -83.6 | 0 | 0 | 0 | 111.7 | ||
| 1174 | D | 20.5 | Very low | 23.8 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | -151.7 | 60.3 | 157.6 | -91.2 | -29.7 | 0 | 0 | 0 | 108.2 | ||||
| 1175 | A | 21.5 | Very low | 23.4 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -105 | 55.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L1177 | A1175-L1177 VanDerWaalsContact C-N 3.33Å; A1175-L1177 PolarHBondContact O-N 2.67Å | ||
| 1176 | T | 21.2 | Very low | 23.2 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | -66.5 | 100.1 | 157.5 | 45.6 | 0 | 0 | 0 | 0 | 107.3 | N1178 | T1176-N1178 PolarHBondContact O-N 2.74Š| ||
| 1177 | L | 21.6 | Very low | 22.8 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -59.5 | 81.6 | 164.6 | -84.7 | 150.5 | 0 | 0 | 0 | 109 | A1175 M1179 | A1175-L1177 VanDerWaalsContact C-N 3.33Å; A1175-L1177 PolarHBondContact O-N 2.67Å; L1177-M1179 PolarHBondContact O-N 3Å | ||
| 1178 | N | 20.4 | Very low | 22.7 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -70.4 | 83.2 | 158.1 | -89.4 | -16.4 | 0 | 0 | 0 | 107.7 | T1176 S1180 | T1176-N1178 PolarHBondContact O-N 2.74Å; N1178-S1180 PolarHBondContact O-N 3.01Å | ||
| 1179 | M | 21.3 | Very low | 22.5 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -75 | 70.7 | 150.9 | -77.2 | -168.7 | -178.7 | 0 | 0 | 107.7 | L1177 S1181 | L1177-M1179 PolarHBondContact O-N 3Å; M1179-S1181 PolarHBondContact O-N 2.86Å | ||
| 1180 | S | 22.2 | Very low | 22.3 | Very low | 92 Ų | 92 | 148 Ų | 148 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | trans | -69.7 | 112.2 | 164.8 | 49 | 0 | 0 | 0 | 0 | 108.1 | N1178 S1182 | N1178-S1180 PolarHBondContact O-N 3.01Å; S1180-S1182 PolarHBondContact O-N 2.95Å | ||
| 1181 | S | 22.9 | Very low | 22.2 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -41 | 100.6 | 161.9 | 41.1 | 0 | 0 | 0 | 0 | 112.2 | M1179 I1183 | M1179-S1181 PolarHBondContact O-N 2.86Å; S1181-I1183 PolarHBondContact O-N 2.96Å | ||
| 1182 | S | 22.6 | Very low | 22.1 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | -88.1 | 99.6 | 160.3 | 64.3 | 0 | 0 | 0 | 0 | 108.6 | S1180 Y1184 | S1180-S1182 PolarHBondContact O-N 2.95Å; S1182-Y1184 PolarHBondContact O-N 2.79Å | ||
| 1183 | I | 21.8 | Very low | 22.3 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -57.9 | 100.8 | 161.1 | -66.4 | 166 | 0 | 0 | 0 | 106.8 | S1181 | S1181-I1183 PolarHBondContact O-N 2.96Š| ||
| 1184 | Y | 23.4 | Very low | 22.1 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -96.7 | 98.4 | 160.2 | -114.4 | -83.5 | 0 | 0 | 0 | 108.1 | S1182 N1186 | S1182-Y1184 PolarHBondContact O-N 2.79Å; Y1184-N1186 PolarHBondContact O-N 2.94Å | ||
| 1185 | N | 18.8 | Very low | 22.4 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | -58.9 | 123.3 | 154.9 | -92.3 | -26.2 | 0 | 0 | 0 | 108.4 | ||||
| 1186 | N | 23 | Very low | 22.4 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -144.7 | 121.4 | 148.2 | -113.1 | -16.9 | 0 | 0 | 0 | 110.9 | Y1184 | Y1184-N1186 PolarHBondContact O-N 2.94Š| ||
| 1187 | N | 19.8 | Very low | 22.5 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -52.4 | 138.9 | 168.9 | -64.1 | -47.5 | 0 | 0 | 0 | 111.5 | ||||
| 1188 | N | 23.5 | Very low | 22.6 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | 163.9 | 138.3 | 107.9 | -93.8 | -30.7 | 0 | 0 | 0 | 112.9 | |||||
| 1189 | N | 20.9 | Very low | 22.8 | Very low | 141 Ų | 141 | 147 Ų | 147 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -24.7 | 152.8 | 159.9 | -70.7 | -30.6 | 0 | 0 | 0 | 119.3 | ||||
| 1190 | N | 23.1 | Very low | 22.8 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 101.2 | 111.1 | 146.1 | -71.3 | -16.9 | 0 | 0 | 0 | 119.8 | ||||
| 1191 | N | 23.8 | Very low | 22.7 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | 69.7 | 118.6 | 128.3 | -68.4 | -17.6 | 0 | 0 | 0 | 120.9 | |||||
| 1192 | N | 23 | Very low | 22.6 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | 53.5 | 101.1 | 137.2 | -71.2 | -20.2 | 0 | 0 | 0 | 117.9 | ||||
| 1193 | L | 27.6 | Very low | 22.7 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | -166.5 | 131 | 121.6 | -100.5 | 143.7 | 0 | 0 | 0 | 111 | |||||
| 1194 | K | 22.3 | Very low | 22.6 | Very low | 204 Ų | 204 | 146.6 Ų | 146.6 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -60.5 | 133.7 | 175.4 | -65.5 | 167.2 | 173.5 | 175.4 | 0 | 111.2 | ||||
| 1195 | S | 26 | Very low | 22.5 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | -170.6 | 113.2 | 125.1 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1196 | R | 21.2 | Very low | 22.6 | Very low | 247 Ų | 247 | 144.2 Ų | 144.2 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | trans | 38 | 97.3 | 150.2 | -68.3 | -179.6 | 173.8 | 177.7 | -2.7 | 119.1 | ||||
| 1197 | S | 23.2 | Very low | 22.6 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 133.8 | 144.8 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1198 | P | 23.6 | Very low | 22.7 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 136.3 | 170.5 | 27 | -29.4 | 0 | 0 | 0 | 110.1 | V1200 | P1198-V1200 PolarHBondContact O-N 2.72Š|
| 1199 | I | 24.1 | Very low | 22.7 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.4 | -179.3 | -70.3 | 162.1 | 0 | 0 | 0 | 108.9 | C1201 | I1199-C1201 PolarHBondContact O-N 2.85Å; I1199-C1201 VanDerWaalsContact O-N 3.07Å |
| 1200 | V | 21.8 | Very low | 22.8 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -63.3 | 99 | 161.1 | 176.3 | 0 | 0 | 0 | 0 | 106.9 | P1198 N1202 | P1198-V1200 PolarHBondContact O-N 2.72Å; V1200-N1202 PolarHBondContact O-N 3.12Å | ||
| 1201 | C | 21.1 | Very low | 22.9 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -78.5 | 103.4 | 164 | -72.5 | 0 | 0 | 0 | 0 | 107.4 | I1199 P1203 | I1199-C1201 PolarHBondContact O-N 2.85Å; I1199-C1201 VanDerWaalsContact O-N 3.07Å; C1201-P1203 WeakPolarHBondContact O-CD 3.06Å | ||
| 1202 | N | 20.4 | Very low | 23 | Very low | 137 Ų | 137 | 149 Ų | 149 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -58.8 | 119.6 | 159.5 | -84.1 | -11.2 | 0 | 0 | 0 | 107.8 | V1200 T1204 | V1200-N1202 PolarHBondContact O-N 3.12Å; N1202-T1204 PolarHBondContact O-N 3Å; N1202-T1204 VanDerWaalsContact O-N 3.12Å | ||
| 1203 | P | 23.8 | Very low | 23 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -68.9 | 112.7 | 170.6 | 27.2 | -28.9 | 0 | 0 | 0 | 107.8 | C1201 I1205 | C1201-P1203 WeakPolarHBondContact O-CD 3.06Å; P1203-I1205 PolarHBondContact O-N 3.39Å; P1203-I1205 VanDerWaalsContact O-N 3.14Å | ||
| 1204 | T | 21.3 | Very low | 22.9 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | trans | -53.3 | 115.9 | 163.8 | -40.6 | 0 | 0 | 0 | 0 | 107.6 | N1202 Q1206 | N1202-T1204 PolarHBondContact O-N 3Å; N1202-T1204 VanDerWaalsContact O-N 3.12Å; T1204-Q1206 PolarHBondContact O-N 2.85Å | ||
| 1205 | I | 21.5 | Very low | 23.2 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | -58.8 | 99.3 | 172.1 | -64.2 | 165.9 | 0 | 0 | 0 | 106.7 | P1203 F1207 | P1203-I1205 PolarHBondContact O-N 3.39Å; P1203-I1205 VanDerWaalsContact O-N 3.14Å; I1205-F1207 PolarHBondContact O-N 2.94Å | ||
| 1206 | Q | 20.2 | Very low | 23.2 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -72.8 | 109.9 | 161.3 | -78.4 | -177.1 | -22.5 | 0 | 0 | 105.6 | T1204 Y1208 | T1204-Q1206 PolarHBondContact O-N 2.85Å; Q1206-Y1208 VanDerWaalsContact C-N 3.3Å; Q1206-Y1208 PolarHBondContact O-N 3.1Å | ||
| 1207 | F | 22.2 | Very low | 23.5 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | trans | -55.7 | 101.9 | 162.1 | -70.6 | -87.3 | 0 | 0 | 0 | 106.5 | I1205 E1209 | I1205-F1207 PolarHBondContact O-N 2.94Å; F1207-E1209 PolarHBondContact O-N 2.94Å | ||
| 1208 | Y | 23.1 | Very low | 23.6 | Very low | 213 Ų | 213 | 144.8 Ų | 144.8 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | -59.1 | 111.3 | 160.3 | -90.3 | -88.6 | 0 | 0 | 0 | 105.4 | Q1206 N1210 | Q1206-Y1208 VanDerWaalsContact C-N 3.3Å; Q1206-Y1208 PolarHBondContact O-N 3.1Å; Y1208-N1210 PolarHBondContact O-N 2.83Å | ||
| 1209 | E | 23.1 | Very low | 23.7 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -46.3 | 127.7 | 165.8 | -73.5 | 179.2 | 151.1 | 0 | 0 | 107.9 | F1207 P1211 | F1207-E1209 PolarHBondContact O-N 2.94Å; E1209-P1211 WeakPolarHBondContact O-CD 3.42Å; E1209-P1211 VanDerWaalsContact O-N 3.16Å | ||
| 1210 | N | 23.1 | Very low | 23.7 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | trans | -32.1 | 117.2 | 173 | -108.4 | -23.5 | 0 | 0 | 0 | 111.2 | Y1208 L1212 | Y1208-N1210 PolarHBondContact O-N 2.83Å; N1210-L1212 HydrophobicContact CB-CB 4.24Å; N1210-L1212 HydrophobicContact CB-CG 4.49Å; N1210-L1212 PolarHBondContact O-N 3.5Å | ||
| 1211 | P | 25.2 | Very low | 23.9 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -76.8 | 59.1 | 158.4 | 33.4 | -29.4 | 0 | 0 | 0 | 107.7 | E1209 | E1209-P1211 WeakPolarHBondContact O-CD 3.42Å; E1209-P1211 VanDerWaalsContact O-N 3.16Å | ||
| 1212 | L | 25.3 | Very low | 23.9 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 62% | 0.618 | 76% | 0.761 | S | S | * | * | trans | -105.7 | 65.4 | 160.3 | -74.9 | 174.3 | 0 | 0 | 0 | 106.5 | N1210 | N1210-L1212 HydrophobicContact CB-CB 4.24Å; N1210-L1212 HydrophobicContact CB-CG 4.49Å; N1210-L1212 PolarHBondContact O-N 3.5Å | ||
| 1213 | R | 22.7 | Very low | 24 | Very low | 203 Ų | 203 | 149.8 Ų | 149.8 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -143.1 | 67.2 | 154.2 | -149.8 | 174.3 | -179.3 | -179.3 | -2.2 | 107 | E1216 | R1213-E1216 IonicContact CZ-OE2 2.83Å; R1213-E1216 IonicContact NE-OE2 3.63Å; R1213-E1216 PolarHBondContact NE-OE2 3.19Å; R1213-E1216 IonicContact NH2-OE2 3.62Å; R1213-E1216 PolarHBondContact NH2-OE2 3.41Å | ||
| 1214 | S | 26.9 | Very low | 23.9 | Very low | 89 Ų | 89 | 150 Ų | 150 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | -125.2 | 64.5 | 167.5 | 63.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1215 | D | 27.7 | Very low | 24 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -154 | 59.1 | 158.6 | -81.7 | -31.7 | 0 | 0 | 0 | 106.3 | ||
| 1216 | E | 26.9 | Very low | 24.1 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | trans | -167 | 58.5 | 169.8 | -111.1 | 170.1 | -158.5 | 0 | 0 | 108.8 | R1213 | R1213-E1216 IonicContact CZ-OE2 2.83Å; R1213-E1216 IonicContact NE-OE2 3.63Å; R1213-E1216 PolarHBondContact NE-OE2 3.19Å; R1213-E1216 IonicContact NH2-OE2 3.62Å; R1213-E1216 PolarHBondContact NH2-OE2 3.41Å | ||
| 1217 | E | 25.8 | Very low | 24.5 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -127.9 | 131.5 | 157.8 | -77.6 | -172.3 | 166.3 | 0 | 0 | 107.4 | ||
| 1218 | D | 26 | Very low | 24.7 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | 79.9 | 47.8 | -177.6 | -52.8 | -20.3 | 0 | 0 | 0 | 117.8 | ||||
| 1219 | D | 25.4 | Very low | 25 | Very low | 123 Ų | 123 | 147 Ų | 147 | 66% | 0.658 | 77% | 0.771 | S | S | * | * | trans | -107.1 | 78.2 | 147 | -80.5 | -33.3 | 0 | 0 | 0 | 109 | F1221 | D1219-F1221 PolarHBondContact O-N 2.94Š| ||
| 1220 | D | 25 | Very low | 25.1 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | -69.9 | 62.8 | 159.8 | -94.6 | -19.9 | 0 | 0 | 0 | 109.2 | ||||
| 1221 | F | 24.6 | Very low | 25.3 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -91.4 | 92.8 | 158 | -96.7 | -84.5 | 0 | 0 | 0 | 107.5 | D1219 C1223 | D1219-F1221 PolarHBondContact O-N 2.94Å; F1221-C1223 PolarHBondContact O-N 2.8Å | ||
| 1222 | Q | 22.3 | Very low | 25.4 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -58.7 | 79.6 | 153.1 | -86.4 | -178.7 | -29.7 | 0 | 0 | 108.9 | S1224 | Q1222-S1224 PolarHBondContact O-N 3.31Š| ||
| 1223 | C | 21.4 | Very low | 25.6 | Very low | 94 Ų | 94 | 151.8 Ų | 151.8 | 64% | 0.635 | 78% | 0.781 | S | S | * | * | trans | -87 | 97 | 158.4 | -82.7 | 0 | 0 | 0 | 0 | 107.3 | F1221 C1225 | F1221-C1223 PolarHBondContact O-N 2.8Å; C1223-C1225 PolarHBondContact O-N 2.03Å | ||
| 1224 | S | 22.9 | Very low | 25.7 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -60.3 | 100.3 | 163.9 | 54.3 | 0 | 0 | 0 | 0 | 109.2 | Q1222 | Q1222-S1224 PolarHBondContact O-N 3.31Š| ||
| 1225 | C | 22.7 | Very low | 25.7 | Very low | 121 Ų | 121 | 150 Ų | 150 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -105.6 | 108.8 | 165.7 | -75.6 | 0 | 0 | 0 | 0 | 108.3 | C1223 | C1223-C1225 PolarHBondContact O-N 2.03Š| ||
| 1226 | N | 24.1 | Very low | 25.8 | Very low | 160 Ų | 160 | 150 Ų | 150 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -58.9 | 139.6 | 171.5 | -96.9 | -16.2 | 0 | 0 | 0 | 110.5 | N1228 | N1226-N1228 PolarHBondContact O-N 2.98Å; N1226-N1228 VanDerWaalsContact O-N 3.11Å | ||
| 1227 | E | 28.5 | Very low | 25.9 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -58.3 | 106.4 | 160.1 | -67.4 | 178 | 152.3 | 0 | 0 | 109 | ||
| 1228 | N | 26.8 | Very low | 26.3 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 166.4 | 98.5 | 147.6 | -83.6 | -26.6 | 0 | 0 | 0 | 108.4 | N1226 | N1226-N1228 PolarHBondContact O-N 2.98Å; N1226-N1228 VanDerWaalsContact O-N 3.11Å | ||
| 1229 | D | 29.2 | Very low | 26.6 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | 168.4 | 74.5 | 156.7 | -85.3 | -18.8 | 0 | 0 | 0 | 105.3 | ||||
| 1230 | L | 25.2 | Very low | 26.8 | Very low | 140 Ų | 140 | 152.4 Ų | 152.4 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | 45.3 | 115.5 | 86.2 | -90.8 | 155.8 | 0 | 0 | 0 | 114.6 | |||||
| 1231 | D | 26.7 | Very low | 27.4 | Very low | 133 Ų | 133 | 153.8 Ų | 153.8 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 54.3 | 105 | 143.9 | -63.7 | -17.1 | 0 | 0 | 0 | 118.1 | ||||
| 1232 | Y | 27.7 | Very low | 28.1 | Very low | 218 Ų | 218 | 153.8 Ų | 153.8 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -170.3 | 126.7 | 132.3 | -108.9 | -79.7 | 0 | 0 | 0 | 110.8 | ||||
| 1233 | L | 29.5 | Very low | 28.6 | Very low | 155 Ų | 155 | 155.6 Ų | 155.6 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | 78.4 | 94 | 158.4 | -52.2 | 167.5 | 0 | 0 | 0 | 115.8 | ||||
| 1234 | D | 25 | Very low | 29.3 | Very low | 149 Ų | 149 | 163.9 Ų | 163.9 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | cis | 81 | 121.2 | 44.1 | -141.3 | 16.1 | 0 | 0 | 0 | 114.5 | ||||
| 1235 | V | 26.2 | Very low | 29.6 | Very low | 104 Ų | 104 | 166.2 Ų | 166.2 | 63% | 0.63 | 83% | 0.829 | S | S | * | * | trans | 63.8 | 95 | 159.7 | -163.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1236 | N | 30.2 | Very low | 30 | Very low | 157 Ų | 157 | 168.6 Ų | 168.6 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | -174.9 | 96.9 | 104.9 | -102 | -34.5 | 0 | 0 | 0 | 112.3 | |||||
| 1237 | S | 29.2 | Very low | 30.3 | Very low | 98 Ų | 98 | 169.1 Ų | 169.1 | 69% | 0.685 | 83% | 0.829 | S | S | * | * | trans | -78 | 152.2 | 161.8 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1238 | K | 33.7 | Very low | 30.4 | Very low | 195 Ų | 195 | 168.2 Ų | 168.2 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | 86.1 | 73.3 | 158.3 | -59.8 | 177.8 | 176.9 | 177.2 | 0 | 118.3 | ||||
| 1239 | E | 32.2 | Very low | 30.7 | Very low | 193 Ų | 193 | 169.9 Ų | 169.9 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -155.3 | 22.2 | 136.1 | -132.7 | 177.2 | 176.8 | 0 | 0 | 117.2 | ||
| 1240 | L | 30.5 | Very low | 30.8 | Very low | 148 Ų | 148 | 170.5 Ų | 170.5 | 78% | 0.775 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -129.1 | 16 | 176.7 | -136.3 | 87.2 | 0 | 0 | 0 | 116.3 | ||
| 1241 | Q | 36.9 | Very low | 31.2 | Very low | 196 Ų | 196 | 172.6 Ų | 172.6 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -106.8 | 20 | 171.5 | -91.1 | -159.5 | -10.5 | 0 | 0 | 114.6 | ||
| 1242 | L | 39.3 | Very low | 31.5 | Very low | 170 Ų | 170 | 175.7 Ų | 175.7 | 89% | 0.89 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -125.3 | 1.6 | 173.3 | -99.6 | 156.9 | 0 | 0 | 0 | 116.2 | ||
| 1243 | R | 33.4 | Very low | 31.8 | Very low | 233 Ų | 233 | 172.2 Ų | 172.2 | 88% | 0.879 | 85% | 0.845 | S | S | * | * | trans | -152.4 | 71.6 | 168.1 | -72.2 | -168.6 | 178.2 | 176.3 | -0.7 | 111.9 | ||||
| 1244 | K | 35.7 | Very low | 32 | Very low | 268 Ų | 268 | 173.7 Ų | 173.7 | 100% | 1.165 | 85% | 0.848 | S | S | * | * | trans | -171.6 | 0 | 147.7 | -106.5 | 170.7 | -176.3 | -173.1 | 0 | 109.1 |
Retrieved 1,244 of 1,244 residues in 2193 ms
(Link to these results)