| 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 | 51.6 | Low | 62.1 | Low | 244 Ų | 244 | 184.5 Ų | 184.5 | 100% | 1.202 | 85% | 0.849 | S | S | * | * | 0 | 116.4 | 0 | -75.6 | 172.1 | 172.9 | 0 | 0 | 107.5 | N3 | M1-N3 PolarHBondContact O-N 2.93Š| |||
| 2 | Q | 55 | Low | 63.5 | Low | 197 Ų | 197 | 181.8 Ų | 181.8 | 92% | 0.921 | 86% | 0.855 | S | S | * | * | trans | -65.7 | 117.7 | -177 | -76.1 | 172.1 | -4.3 | 0 | 0 | 109.9 | R4 | Q2-R4 PolarHBondContact O-N 3.05Š| ||
| 3 | N | 61.7 | Low | 65 | Low | 154 Ų | 154 | 174.5 Ų | 174.5 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | trans | -70.2 | 98.5 | 176.2 | -141.2 | 12 | 0 | 0 | 0 | 107.5 | M1 E5 | M1-N3 PolarHBondContact O-N 2.93Å; N3-E5 VanDerWaalsContact C-N 3.27Å; N3-E5 PolarHBondContact O-N 3.24Å | ||
| 4 | R | 61.4 | Low | 66.8 | Low | 233 Ų | 233 | 169.3 Ų | 169.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -69 | 92.3 | 168.6 | -82.9 | -176.7 | 170.7 | -179 | -2.6 | 107.1 | Q2 K6 | Q2-R4 PolarHBondContact O-N 3.05Å; R4-K6 PolarHBondContact O-N 3.26Å | ||
| 5 | E | 62.2 | Low | 68.6 | Low | 176 Ų | 176 | 158.3 Ų | 158.3 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -55.7 | 108.5 | 166.3 | -70.9 | -166.2 | 145.1 | 0 | 0 | 108 | N3 K7 | N3-E5 VanDerWaalsContact C-N 3.27Å; N3-E5 PolarHBondContact O-N 3.24Å; E5-K7 PolarHBondContact O-N 3.03Å | ||
| 6 | K | 65.1 | Low | 70.3 | Confident | 197 Ų | 197 | 153.5 Ų | 153.5 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | -62.3 | 106.9 | 171.1 | -70.5 | 179.8 | 179.3 | 176.2 | 0 | 106.1 | R4 K8 | R4-K6 PolarHBondContact O-N 3.26Å; K6-K8 PolarHBondContact O-N 2.98Å | ||
| 7 | K | 62.8 | Low | 71.7 | Confident | 203 Ų | 203 | 151.5 Ų | 151.5 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | trans | -47.1 | 117.8 | 168.5 | -78.1 | -172.7 | 174.5 | -173.1 | 0 | 107.6 | E5 K9 | E5-K7 PolarHBondContact O-N 3.03Å; K7-K9 PolarHBondContact O-N 2.96Å | ||
| 8 | K | 62.6 | Low | 73.1 | Confident | 177 Ų | 177 | 144.7 Ų | 144.7 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | trans | -56.3 | 127.8 | 174.3 | -76.3 | -178.8 | 177.9 | 177.2 | 0 | 106.9 | K6 E10 | K6-K8 PolarHBondContact O-N 2.98Å; K8-E10 PolarHBondContact O-N 3.01Å | ||
| 9 | K | 64.4 | Low | 74.4 | Confident | 201 Ų | 201 | 140 Ų | 140 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | trans | -67.1 | 103.8 | 169.9 | -73.7 | -174.9 | 176.9 | -176.2 | 0 | 106.1 | K7 S11 | K7-K9 PolarHBondContact O-N 2.96Å; K9-S11 PolarHBondContact O-N 2.91Å | ||
| 10 | E | 65.4 | Low | 75.6 | Confident | 182 Ų | 182 | 138.1 Ų | 138.1 | 85% | 0.85 | 67% | 0.67 | S | S | * | * | trans | -60.7 | 134.7 | 171.2 | -70.2 | 174.4 | 176.9 | 0 | 0 | 108.3 | K8 | K8-E10 PolarHBondContact O-N 3.01Š| ||
| 11 | S | 70.8 | Confident | 76.6 | Confident | 65 Ų | 65 | 136.6 Ų | 136.6 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | trans | -62.9 | 137.4 | 171 | 172.3 | 0 | 0 | 0 | 0 | 108.2 | K9 I13 | K9-S11 PolarHBondContact O-N 2.91Å; S11-I13 PolarHBondContact O-N 2.59Å; S11-I13 PolarHBondContact OG-N 3.15Å; S11-I13 VanDerWaalsContact OG-N 3.15Å; S11-I13 PolarHBondContact OG-O 3.24Å | ||
| 12 | V | 79.3 | Confident | 78.8 | Confident | 153 Ų | 153 | 128.3 Ų | 128.3 | 93% | 0.927 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -63.6 | -23.1 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 13 | I | 83 | Confident | 80.9 | Confident | 87 Ų | 87 | 118.9 Ų | 118.9 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | trans | -106.1 | 114.6 | -177.8 | -55.2 | 174.2 | 0 | 0 | 0 | 108.3 | S11 L15 L44 | S11-I13 PolarHBondContact O-N 2.59Å; S11-I13 PolarHBondContact OG-N 3.15Å; S11-I13 VanDerWaalsContact OG-N 3.15Å; S11-I13 PolarHBondContact OG-O 3.24Å; I13-L15 HydrophobicContact CG2-CD2 3.66Å; I13-L15 HydrophobicContact CG2-CG 4.09Å; I13-L44 HydrophobicContact CD1-CD1 4.41Å | ||
| 14 | D | 89.3 | Confident | 82.6 | Confident | 101 Ų | 101 | 112.3 Ų | 112.3 | 54% | 0.54 | 55% | 0.545 | S | S | . | . | trans | -102.2 | 112 | 170.2 | -178.4 | 15.4 | 0 | 0 | 0 | 110.1 | T16 | D14-T16 WeakPolarHBondContact OD1-CB 3.48Å; D14-T16 PolarHBondContact OD1-N 2.88Å; D14-T16 PolarHBondContact OD1-OG1 3.49Å | ||
| 15 | L | 94.8 | Very high | 84.3 | Confident | 4 Ų | 4 | 101.2 Ų | 101.2 | 2% | 0.021 | 50% | 0.503 | C | S | . | . | trans | -92.1 | 3.2 | 179 | -56.8 | 176.5 | 0 | 0 | 0 | 112.5 | I13 N17 L18 I19 L37 F40 L44 L46 I84 | I13-L15 HydrophobicContact CG2-CD2 3.66Å; I13-L15 HydrophobicContact CG2-CG 4.09Å; L15-N17 PolarHBondContact O-N 2.9Å; L15-L18 HydrophobicContact CD2-CD1 3.94Å; L15-L18 WeakPolarHBondContact O-CA 3.44Å; L15-L18 WeakPolarHBondContact O-CB 3.15Å; L15-L18 PolarHBondContact O-N 3.2Å; L15-I19 PolarHBondContact O-N 2.83Å; L15-L37 HydrophobicContact CB-CD2 4.07Å; L15-F40 HydrophobicContact CB-CD1 3.72Å; L15-F40 HydrophobicContact CB-CD2 4.15Å; L15-F40 HydrophobicContact CB-CE1 3.62Å; L15-F40 HydrophobicContact CB-CE2 4.05Å; L15-F40 HydrophobicContact CB-CG 4Å; L15-F40 HydrophobicContact CB-CZ 3.79Å; L15-F40 HydrophobicContact CD1-CB 4.06Å; L15-F40 HydrophobicContact CD1-CD1 4.39Å; L15-F40 HydrophobicContact CD1-CD2 4.07Å; L15-F40 HydrophobicContact CD1-CG 3.92Å; L15-F40 HydrophobicContact CG-CD2 4.42Å; L15-F40 HydrophobicContact CG-CG 4.48Å; L15-L44 HydrophobicContact CD1-CD2 4.08Å; L15-L46 HydrophobicContact CD1-CD2 3.64Å; L15-I84 HydrophobicContact CD1-CD1 3.92Å; L15-I84 HydrophobicContact CD2-CD1 4.15Å; L15-I84 HydrophobicContact CD2-CG2 4.09Å | ||
| 16 | T | 95.3 | Very high | 86 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -56.2 | -38.3 | -177.8 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | D14 L18 I19 | D14-T16 WeakPolarHBondContact OD1-CB 3.48Å; D14-T16 PolarHBondContact OD1-N 2.88Å; D14-T16 PolarHBondContact OD1-OG1 3.49Å; T16-L18 PolarHBondContact O-N 3.27Å; T16-I19 WeakPolarHBondContact O-CG1 3.44Å; T16-I19 PolarHBondContact O-N 3.2Å |
| 17 | N | 94.5 | Very high | 87.5 | Confident | 119 Ų | 119 | 88.8 Ų | 88.8 | 64% | 0.636 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -70.3 | -10 | 178.2 | -68.3 | -34.9 | 0 | 0 | 0 | 114.5 | L15 K21 | L15-N17 PolarHBondContact O-N 2.9Å; N17-K21 WeakPolarHBondContact O-CD 3.42Å; N17-K21 VanDerWaalsContact O-CE 3.3Å; N17-K21 WeakPolarHBondContact O-CE 3.42Å; N17-K21 PolarHBondContact O-NZ 3.49Å |
| 18 | L | 96.5 | Very high | 89.1 | Confident | 30 Ų | 30 | 85.5 Ų | 85.5 | 16% | 0.157 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -103.2 | -4.4 | 179.1 | -58.3 | -177.9 | 0 | 0 | 0 | 112.7 | L15 T16 D20 K21 I23 L37 I84 P86 | L15-L18 HydrophobicContact CD2-CD1 3.94Å; L15-L18 WeakPolarHBondContact O-CA 3.44Å; L15-L18 WeakPolarHBondContact O-CB 3.15Å; L15-L18 PolarHBondContact O-N 3.2Å; T16-L18 PolarHBondContact O-N 3.27Å; L18-D20 PolarHBondContact O-N 3.24Å; L18-K21 WeakPolarHBondContact O-CB 3.3Å; L18-K21 PolarHBondContact O-N 3.44Å; L18-K21 VanDerWaalsContact O-N 3.12Å; L18-I23 HydrophobicContact CB-CG2 4.13Å; L18-I23 HydrophobicContact CD1-CG2 4.24Å; L18-L37 HydrophobicContact CB-CD2 3.83Å; L18-L37 WeakPolarHBondContact O-CB 3.36Å; L18-I84 HydrophobicContact CD1-CG2 4.21Å; L18-P86 HydrophobicContact CD2-CB 4.04Å |
| 19 | I | 97.5 | Very high | 90.4 | Very high | 55 Ų | 55 | 80.9 Ų | 80.9 | 28% | 0.282 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 137.4 | 174.9 | -64.8 | -67.8 | 0 | 0 | 0 | 110.2 | L15 T16 K21 L37 F40 | L15-I19 PolarHBondContact O-N 2.83Å; T16-I19 WeakPolarHBondContact O-CG1 3.44Å; T16-I19 PolarHBondContact O-N 3.2Å; I19-K21 PolarHBondContact O-N 3.47Å; I19-K21 VanDerWaalsContact O-N 3.15Å; I19-L37 HydrophobicContact CD1-CD2 4.11Å; I19-L37 HydrophobicContact CD1-CG 4.12Å; I19-F40 HydrophobicContact CD1-CD1 3.89Å; I19-F40 HydrophobicContact CD1-CE1 3.95Å; I19-F40 HydrophobicContact CG1-CE1 4.3Å |
| 20 | D | 97.9 | Very high | 91.7 | Very high | 102 Ų | 102 | 74 Ų | 74 | 55% | 0.545 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 17.3 | -175.9 | -68.8 | -51.6 | 0 | 0 | 0 | 115 | L18 L37 K38 | L18-D20 PolarHBondContact O-N 3.24Å; D20-L37 PolarHBondContact N-O 3.09Å; D20-K38 IonicContact OD1-NZ 2.77Å; D20-K38 PolarHBondContact OD1-NZ 2.86Å |
| 21 | K | 97.9 | Very high | 93.1 | Very high | 107 Ų | 107 | 71.1 Ų | 71.1 | 47% | 0.465 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -107.8 | 150.2 | 173.8 | -63.1 | -177.1 | -175.1 | 167 | 0 | 111.6 | N17 L18 I19 I23 I36 L37 | N17-K21 WeakPolarHBondContact O-CD 3.42Å; N17-K21 VanDerWaalsContact O-CE 3.3Å; N17-K21 WeakPolarHBondContact O-CE 3.42Å; N17-K21 PolarHBondContact O-NZ 3.49Å; L18-K21 WeakPolarHBondContact O-CB 3.3Å; L18-K21 PolarHBondContact O-N 3.44Å; L18-K21 VanDerWaalsContact O-N 3.12Å; I19-K21 PolarHBondContact O-N 3.47Å; I19-K21 VanDerWaalsContact O-N 3.15Å; K21-I23 PolarHBondContact O-N 3.15Å; K21-I36 WeakPolarHBondContact O-CA 3.41Å; K21-L37 PolarHBondContact O-N 3.36Å; K21-L37 VanDerWaalsContact O-N 3.09Å |
| 22 | P | 97.8 | Very high | 94.3 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 130.8 | 170.7 | 30 | -34.3 | 0 | 0 | 0 | 109.8 | G35 A87 | P22-G35 WeakPolarHBondContact CA-O 3.18Å; P22-A87 HydrophobicContact CB-CB 3.83Å; P22-A87 HydrophobicContact CG-CB 4.09Å; P22-A87 WeakPolarHBondContact O-CB 3.4Å; P22-A87 PolarHBondContact O-N 2.9Å |
| 23 | I | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 152.5 | 176.7 | 62.4 | 165 | 0 | 0 | 0 | 110.1 | L18 K21 V25 S34 G35 L37 L46 L48 I84 A85 | L18-I23 HydrophobicContact CB-CG2 4.13Å; L18-I23 HydrophobicContact CD1-CG2 4.24Å; K21-I23 PolarHBondContact O-N 3.15Å; I23-V25 HydrophobicContact CD1-CG2 3.75Å; I23-V25 HydrophobicContact CG1-CG2 4.19Å; I23-S34 WeakPolarHBondContact O-CA 3.48Å; I23-G35 PolarHBondContact N-O 3.22Å; I23-G35 PolarHBondContact O-N 3.36Å; I23-L37 HydrophobicContact CD1-CB 3.93Å; I23-L37 HydrophobicContact CD1-CD1 4.14Å; I23-L37 HydrophobicContact CD1-CG 4.41Å; I23-L37 HydrophobicContact CG1-CB 4.26Å; I23-L46 HydrophobicContact CD1-CD1 4.23Å; I23-L48 HydrophobicContact CD1-CD2 3.74Å; I23-L48 HydrophobicContact CG1-CD2 4.1Å; I23-I84 HydrophobicContact CD1-CG2 3.98Å; I23-A85 CarbonylContact C-O 3.56Å; I23-A85 VanDerWaalsContact CA-O 3.3Å; I23-A85 WeakPolarHBondContact CA-O 2.87Å; I23-A85 WeakPolarHBondContact CB-O 3.39Å |
| 24 | V | 97.5 | Very high | 95.8 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.2 | 168.4 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | E32 V33 A85 A87 M90 | V24-E32 HydrophobicContact CG1-CG 3.75Å; V24-E32 WeakPolarHBondContact CG1-OE1 3.42Å; V24-V33 CarbonylContact C-O 3.52Å; V24-V33 WeakPolarHBondContact CA-O 3.48Å; V24-A85 PolarHBondContact N-O 3.5Å; V24-A85 PolarHBondContact O-N 3Å; V24-A87 HydrophobicContact CG2-CB 4.25Å; V24-M90 HydrophobicContact CB-CE 3.73Å; V24-M90 HydrophobicContact CB-SD 4.42Å; V24-M90 HydrophobicContact CG2-CE 3.6Å; V24-M90 HydrophobicContact CG2-SD 4.13Å |
| 25 | V | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 123.9 | 179.7 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | I23 F27 V33 L46 L48 I81 V83 | I23-V25 HydrophobicContact CD1-CG2 3.75Å; I23-V25 HydrophobicContact CG1-CG2 4.19Å; V25-F27 HydrophobicContact CB-CE2 4.42Å; V25-F27 HydrophobicContact CB-CZ 4.4Å; V25-F27 HydrophobicContact CG1-CE1 4.04Å; V25-F27 HydrophobicContact CG1-CE2 4.05Å; V25-F27 HydrophobicContact CG1-CZ 3.74Å; V25-V33 HydrophobicContact CB-CG2 3.91Å; V25-V33 PolarHBondContact N-O 3.11Å; V25-V33 PolarHBondContact O-N 3.05Å; V25-L46 HydrophobicContact CG1-CD1 4.42Å; V25-L46 HydrophobicContact CG2-CD1 3.87Å; V25-L48 HydrophobicContact CG2-CD1 4.09Å; V25-I81 HydrophobicContact CG1-CD1 4.2Å; V25-I81 HydrophobicContact CG1-CG1 4.01Å; V25-I81 HydrophobicContact CG1-CG2 3.91Å; V25-V83 WeakPolarHBondContact CA-O 3.27Å |
| 26 | K | 96.9 | Very high | 96.4 | Very high | 92 Ų | 92 | 58 Ų | 58 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.2 | 173.7 | -55.1 | -169.1 | -171.2 | -120.9 | 0 | 110 | E32 L82 V83 | K26-E32 VanDerWaalsContact CE-OE2 3.28Å; K26-E32 WeakPolarHBondContact CE-OE2 3.41Å; K26-E32 HydrophobicContact CG-CG 4.28Å; K26-E32 IonicContact NZ-OE2 2.68Å; K26-E32 PolarHBondContact NZ-OE2 2.86Å; K26-L82 PolarHBondContact O-N 3.12Å; K26-V83 HydrophobicContact CB-CB 4.08Å; K26-V83 HydrophobicContact CB-CG2 4.41Å; K26-V83 HydrophobicContact CG-CB 4.28Å; K26-V83 PolarHBondContact N-O 2.65Å; K26-V83 PolarHBondContact O-N 2.72Å |
| 27 | F | 97.3 | Very high | 96.6 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 9% | 0.088 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 158.9 | -179.4 | -60 | -85.4 | 0 | 0 | 0 | 112.2 | V25 G29 G30 R31 V33 A76 T80 I81 | V25-F27 HydrophobicContact CB-CE2 4.42Å; V25-F27 HydrophobicContact CB-CZ 4.4Å; V25-F27 HydrophobicContact CG1-CE1 4.04Å; V25-F27 HydrophobicContact CG1-CE2 4.05Å; V25-F27 HydrophobicContact CG1-CZ 3.74Å; F27-G29 PolarHBondContact O-N 3.48Å; F27-G30 PolarHBondContact O-N 2.78Å; F27-R31 HydrophobicContact CB-CB 4.28Å; F27-R31 HydrophobicContact CD2-CB 4.14Å; F27-R31 PolarHBondContact N-O 3.01Å; F27-V33 HydrophobicContact CE2-CB 4.33Å; F27-V33 HydrophobicContact CE2-CG1 3.89Å; F27-V33 HydrophobicContact CE2-CG2 3.58Å; F27-V33 HydrophobicContact CZ-CG2 4.08Å; F27-A76 HydrophobicContact CE1-CB 3.9Å; F27-A76 HydrophobicContact CZ-CB 3.77Å; F27-T80 CarbonylContact C-O 3.6Å; F27-T80 WeakPolarHBondContact CA-O 3.47Å; F27-I81 HydrophobicContact CD1-CG1 3.91Å; F27-I81 HydrophobicContact CE1-CD1 4.39Å; F27-I81 HydrophobicContact CE1-CG1 3.63Å |
| 28 | Q | 95.7 | Very high | 96.8 | Very high | 135 Ų | 135 | 52.6 Ų | 52.6 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 133.2 | 162.6 | -171.8 | 178.8 | 6 | 0 | 0 | 109.6 | T80 L82 | Q28-T80 PolarHBondContact N-O 2.84Å; Q28-L82 HydrophobicContact CB-CD1 4.47Å; Q28-L82 HydrophobicContact CB-CG 4.45Å |
| 29 | G | 91.6 | Very high | 96.8 | Very high | 79 Ų | 79 | 52 Ų | 52 | 81% | 0.814 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92 | 6.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F27 | F27-G29 PolarHBondContact O-N 3.48Š|
| 30 | G | 91.4 | Very high | 96.8 | Very high | 58 Ų | 58 | 53 Ų | 53 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 85.8 | 4.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F27 | F27-G30 PolarHBondContact O-N 2.78Š|
| 31 | R | 93.8 | Very high | 96.7 | Very high | 121 Ų | 121 | 51.2 Ų | 51.2 | 46% | 0.457 | 29% | 0.287 | S | S | . | . | trans | -72.3 | 138.1 | 174.4 | -60.7 | 177.6 | 68.4 | -167.2 | -1.5 | 110.1 | F27 E53 | F27-R31 HydrophobicContact CB-CB 4.28Å; F27-R31 HydrophobicContact CD2-CB 4.14Å; F27-R31 PolarHBondContact N-O 3.01Å; R31-E53 IonicContact CZ-OE1 3.24Å; R31-E53 VanDerWaalsContact CZ-OE1 3.24Å; R31-E53 IonicContact NE-OE1 2.73Å; R31-E53 PolarHBondContact NE-OE1 2.83Å; R31-E53 VanDerWaalsContact NH2-CD 3.3Å; R31-E53 IonicContact NH2-OE1 2.9Å; R31-E53 PolarHBondContact NH2-OE1 3.02Å; R31-E53 IonicContact NH2-OE2 3Å; R31-E53 PolarHBondContact NH2-OE2 2.96Å | ||
| 32 | E | 95.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 17% | 0.173 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.6 | 177.8 | -177.3 | 166.5 | 145.2 | 0 | 0 | 109.6 | V24 K26 E53 T54 | V24-E32 HydrophobicContact CG1-CG 3.75Å; V24-E32 WeakPolarHBondContact CG1-OE1 3.42Å; K26-E32 VanDerWaalsContact CE-OE2 3.28Å; K26-E32 WeakPolarHBondContact CE-OE2 3.41Å; K26-E32 HydrophobicContact CG-CG 4.28Å; K26-E32 IonicContact NZ-OE2 2.68Å; K26-E32 PolarHBondContact NZ-OE2 2.86Å; E32-E53 WeakPolarHBondContact O-CA 3.33Å; E32-T54 PolarHBondContact O-N 2.78Å |
| 33 | V | 97.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.1 | 175.2 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | V24 V25 F27 L48 T51 T52 E53 | V24-V33 CarbonylContact C-O 3.52Å; V24-V33 WeakPolarHBondContact CA-O 3.48Å; V25-V33 HydrophobicContact CB-CG2 3.91Å; V25-V33 PolarHBondContact N-O 3.11Å; V25-V33 PolarHBondContact O-N 3.05Å; F27-V33 HydrophobicContact CE2-CB 4.33Å; F27-V33 HydrophobicContact CE2-CG1 3.89Å; F27-V33 HydrophobicContact CE2-CG2 3.58Å; F27-V33 HydrophobicContact CZ-CG2 4.08Å; V33-L48 HydrophobicContact CG2-CD1 3.96Å; V33-T51 HydrophobicContact CB-CG2 3.79Å; V33-T51 HydrophobicContact CG1-CG2 4.34Å; V33-T51 HydrophobicContact CG2-CG2 4.14Å; V33-T52 CarbonylContact C-O 3.54Å; V33-T52 VanDerWaalsContact CA-O 3.27Å; V33-T52 WeakPolarHBondContact CA-O 3.09Å; V33-E53 HydrophobicContact CG1-CB 3.93Å; V33-E53 HydrophobicContact CG1-CG 4.13Å |
| 34 | S | 97.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 58.6 Ų | 58.6 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.6 | 170.3 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | I23 T51 T52 | I23-S34 WeakPolarHBondContact O-CA 3.48Å; S34-T51 CarbonylContact O-C 3.59Å; S34-T51 VanDerWaalsContact O-CA 3.28Å; S34-T51 WeakPolarHBondContact O-CA 3.28Å; S34-T52 PolarHBondContact N-O 3.27Å; S34-T52 PolarHBondContact O-N 3.17Å |
| 35 | G | 98.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 172.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P22 I23 | P22-G35 WeakPolarHBondContact CA-O 3.18Å; I23-G35 PolarHBondContact N-O 3.22Å; I23-G35 PolarHBondContact O-N 3.36Å |
| 36 | I | 98.5 | Very high | 95.9 | Very high | 46 Ų | 46 | 59.2 Ų | 59.2 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.1 | 178.7 | -58.4 | 174.4 | 0 | 0 | 0 | 109 | K21 K38 L48 D49 | K21-I36 WeakPolarHBondContact O-CA 3.41Å; I36-K38 HydrophobicContact CG2-CD 4.38Å; I36-K38 PolarHBondContact O-N 3.16Å; I36-L48 WeakPolarHBondContact O-CA 3.26Å; I36-D49 PolarHBondContact N-O 3.48Å; I36-D49 PolarHBondContact O-N 2.93Å |
| 37 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 114.9 | 178.4 | -177.7 | 66.4 | 0 | 0 | 0 | 110.9 | L15 L18 I19 D20 K21 I23 G39 F40 L46 L48 | L15-L37 HydrophobicContact CB-CD2 4.07Å; L18-L37 HydrophobicContact CB-CD2 3.83Å; L18-L37 WeakPolarHBondContact O-CB 3.36Å; I19-L37 HydrophobicContact CD1-CD2 4.11Å; I19-L37 HydrophobicContact CD1-CG 4.12Å; D20-L37 PolarHBondContact N-O 3.09Å; K21-L37 PolarHBondContact O-N 3.36Å; K21-L37 VanDerWaalsContact O-N 3.09Å; I23-L37 HydrophobicContact CD1-CB 3.93Å; I23-L37 HydrophobicContact CD1-CD1 4.14Å; I23-L37 HydrophobicContact CD1-CG 4.41Å; I23-L37 HydrophobicContact CG1-CB 4.26Å; L37-G39 WeakPolarHBondContact CD1-O 3.49Å; L37-F40 HydrophobicContact CD2-CD1 4.34Å; L37-L46 HydrophobicContact CD1-CB 4.02Å; L37-L46 HydrophobicContact CD1-CD2 4.14Å; L37-L46 HydrophobicContact CD1-CG 4.49Å; L37-L48 HydrophobicContact CB-CD2 4.37Å; L37-L48 HydrophobicContact CD1-CD2 3.85Å |
| 38 | K | 98.5 | Very high | 96.1 | Very high | 87 Ų | 87 | 56.5 Ų | 56.5 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -23 | 177.3 | -64.9 | -58.3 | -178.8 | -179.2 | 0 | 113.9 | D20 I36 V47 D49 | D20-K38 IonicContact OD1-NZ 2.77Å; D20-K38 PolarHBondContact OD1-NZ 2.86Å; I36-K38 HydrophobicContact CG2-CD 4.38Å; I36-K38 PolarHBondContact O-N 3.16Å; K38-V47 HydrophobicContact CB-CB 4.3Å; K38-V47 HydrophobicContact CB-CG1 4.05Å; K38-V47 PolarHBondContact N-O 2.91Å; K38-D49 HydrophobicContact CD-CB 4.24Å; K38-D49 HydrophobicContact CG-CB 3.61Å |
| 39 | G | 98 | Very high | 96.2 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 19% | 0.186 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.9 | 163.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L37 V47 | L37-G39 WeakPolarHBondContact CD1-O 3.49Å; G39-V47 PolarHBondContact O-N 2.92Å |
| 40 | F | 97.4 | Very high | 96.5 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 165.7 | 177.3 | 64.4 | -82.5 | 0 | 0 | 0 | 111.1 | L15 I19 L37 N45 L46 | L15-F40 HydrophobicContact CB-CD1 3.72Å; L15-F40 HydrophobicContact CB-CD2 4.15Å; L15-F40 HydrophobicContact CB-CE1 3.62Å; L15-F40 HydrophobicContact CB-CE2 4.05Å; L15-F40 HydrophobicContact CB-CG 4Å; L15-F40 HydrophobicContact CB-CZ 3.79Å; L15-F40 HydrophobicContact CD1-CB 4.06Å; L15-F40 HydrophobicContact CD1-CD1 4.39Å; L15-F40 HydrophobicContact CD1-CD2 4.07Å; L15-F40 HydrophobicContact CD1-CG 3.92Å; L15-F40 HydrophobicContact CG-CD2 4.42Å; L15-F40 HydrophobicContact CG-CG 4.48Å; I19-F40 HydrophobicContact CD1-CD1 3.89Å; I19-F40 HydrophobicContact CD1-CE1 3.95Å; I19-F40 HydrophobicContact CG1-CE1 4.3Å; L37-F40 HydrophobicContact CD2-CD1 4.34Å; F40-N45 WeakPolarHBondContact CA-O 3.35Å; F40-L46 HydrophobicContact CB-CD2 3.74Å |
| 41 | D | 94.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | trans | -123 | -179.8 | 172.9 | 72.6 | 16 | 0 | 0 | 0 | 112.6 | L43 L44 N45 | D41-L43 PolarHBondContact O-N 3.17Å; D41-L43 WeakPolarHBondContact OD1-CA 3.45Å; D41-L43 WeakPolarHBondContact OD1-CB 3.26Å; D41-L43 PolarHBondContact OD1-N 3.31Å; D41-L44 PolarHBondContact O-N 2.78Å; D41-L44 VanDerWaalsContact O-N 3.09Å; D41-L44 PolarHBondContact OD1-N 2.99Å; D41-L44 VanDerWaalsContact OD1-N 3.17Å; D41-N45 PolarHBondContact N-O 3.31Å; D41-N45 VanDerWaalsContact N-O 3.17Å; D41-N45 PolarHBondContact OD1-N 2.94Å; D41-N45 PolarHBondContact OD1-ND2 2.77Å; D41-N45 WeakPolarHBondContact OD2-CB 3.3Å; D41-N45 PolarHBondContact OD2-ND2 3.3Å | ||
| 42 | Q | 91.3 | Very high | 97 | Very high | 161 Ų | 161 | 47.3 Ų | 47.3 | 75% | 0.752 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.3 | -179.3 | -68.5 | 172.1 | 39.3 | 0 | 0 | 113.9 | L44 | Q42-L44 VanDerWaalsContact C-N 3.31Š|
| 43 | L | 92 | Very high | 97.1 | Very high | 128 Ų | 128 | 46 Ų | 46 | 67% | 0.67 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 7.3 | 175.6 | -59.5 | -179.7 | 0 | 0 | 0 | 111.7 | D41 N45 G78 | D41-L43 PolarHBondContact O-N 3.17Å; D41-L43 WeakPolarHBondContact OD1-CA 3.45Å; D41-L43 WeakPolarHBondContact OD1-CB 3.26Å; D41-L43 PolarHBondContact OD1-N 3.31Å; L43-N45 PolarHBondContact O-N 3.21Å; L43-G78 WeakPolarHBondContact O-CA 3.27Å |
| 44 | L | 94.8 | Very high | 96.9 | Very high | 41 Ų | 41 | 46.9 Ų | 46.9 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | trans | 59.9 | 28.4 | -174 | -56 | 174.4 | 0 | 0 | 0 | 112.9 | I13 L15 D41 Q42 G78 I81 | I13-L44 HydrophobicContact CD1-CD1 4.41Å; L15-L44 HydrophobicContact CD1-CD2 4.08Å; D41-L44 PolarHBondContact O-N 2.78Å; D41-L44 VanDerWaalsContact O-N 3.09Å; D41-L44 PolarHBondContact OD1-N 2.99Å; D41-L44 VanDerWaalsContact OD1-N 3.17Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; L44-G78 WeakPolarHBondContact O-CA 3.27Å; L44-I81 VanDerWaalsContact O-CD1 3.28Å; L44-I81 WeakPolarHBondContact O-CD1 3.41Å | ||
| 45 | N | 97.1 | Very high | 96.4 | Very high | 29 Ų | 29 | 47.7 Ų | 47.7 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | trans | -69.8 | 133.6 | 162.8 | -57.8 | -57.3 | 0 | 0 | 0 | 108.1 | F40 D41 L43 A76 G78 | F40-N45 WeakPolarHBondContact CA-O 3.35Å; D41-N45 PolarHBondContact N-O 3.31Å; D41-N45 VanDerWaalsContact N-O 3.17Å; D41-N45 PolarHBondContact OD1-N 2.94Å; D41-N45 PolarHBondContact OD1-ND2 2.77Å; D41-N45 WeakPolarHBondContact OD2-CB 3.3Å; D41-N45 PolarHBondContact OD2-ND2 3.3Å; L43-N45 PolarHBondContact O-N 3.21Å; N45-A76 CarbonylContact C-O 3.5Å; N45-A76 VanDerWaalsContact CA-O 3.26Å; N45-A76 WeakPolarHBondContact CA-O 3.42Å; N45-G78 PolarHBondContact OD1-N 3.42Å | ||
| 46 | L | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 141 | -176.4 | -44.1 | 177.5 | 0 | 0 | 0 | 110 | L15 I23 V25 L37 F40 L48 V75 A76 I81 I84 | L15-L46 HydrophobicContact CD1-CD2 3.64Å; I23-L46 HydrophobicContact CD1-CD1 4.23Å; V25-L46 HydrophobicContact CG1-CD1 4.42Å; V25-L46 HydrophobicContact CG2-CD1 3.87Å; L37-L46 HydrophobicContact CD1-CB 4.02Å; L37-L46 HydrophobicContact CD1-CD2 4.14Å; L37-L46 HydrophobicContact CD1-CG 4.49Å; F40-L46 HydrophobicContact CB-CD2 3.74Å; L46-L48 HydrophobicContact CB-CD2 3.99Å; L46-L48 HydrophobicContact CB-CG 4.23Å; L46-L48 HydrophobicContact CD1-CD2 4.41Å; L46-V75 CarbonylContact O-C 3.6Å; L46-V75 VanDerWaalsContact O-CA 3.31Å; L46-V75 WeakPolarHBondContact O-CA 3.47Å; L46-A76 HydrophobicContact CB-CB 4.08Å; L46-A76 HydrophobicContact CG-CB 4.47Å; L46-A76 PolarHBondContact N-O 3.49Å; L46-A76 PolarHBondContact O-N 2.91Å; L46-I81 HydrophobicContact CD1-CD1 3.71Å; L46-I81 HydrophobicContact CG-CD1 3.78Å; L46-I84 HydrophobicContact CD1-CD1 4Å; L46-I84 HydrophobicContact CD1-CG1 4.29Å; L46-I84 HydrophobicContact CD2-CD1 4.28Å |
| 47 | V | 98.6 | Very high | 94 | Very high | 55 Ų | 55 | 54.7 Ų | 54.7 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 115.6 | 164.9 | -176.5 | 0 | 0 | 0 | 0 | 106.9 | K38 G39 L73 | K38-V47 HydrophobicContact CB-CB 4.3Å; K38-V47 HydrophobicContact CB-CG1 4.05Å; K38-V47 PolarHBondContact N-O 2.91Å; G39-V47 PolarHBondContact O-N 2.92Å; V47-L73 HydrophobicContact CG1-CD1 3.79Å |
| 48 | L | 98.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.7 | -179.6 | -54.4 | -177.4 | 0 | 0 | 0 | 109.9 | I23 V25 V33 I36 L37 L46 T51 L73 I74 | I23-L48 HydrophobicContact CD1-CD2 3.74Å; I23-L48 HydrophobicContact CG1-CD2 4.1Å; V25-L48 HydrophobicContact CG2-CD1 4.09Å; V33-L48 HydrophobicContact CG2-CD1 3.96Å; I36-L48 WeakPolarHBondContact O-CA 3.26Å; L37-L48 HydrophobicContact CB-CD2 4.37Å; L37-L48 HydrophobicContact CD1-CD2 3.85Å; L46-L48 HydrophobicContact CB-CD2 3.99Å; L46-L48 HydrophobicContact CB-CG 4.23Å; L46-L48 HydrophobicContact CD1-CD2 4.41Å; L48-T51 VanDerWaalsContact CB-OG1 3.23Å; L48-T51 WeakPolarHBondContact CB-OG1 3.41Å; L48-T51 PolarHBondContact O-OG1 3.23Å; L48-L73 CarbonylContact O-C 3.57Å; L48-L73 WeakPolarHBondContact O-CA 3.28Å; L48-I74 HydrophobicContact CB-CG1 3.94Å; L48-I74 HydrophobicContact CD1-CD1 4.37Å; L48-I74 PolarHBondContact N-O 2.84Å; L48-I74 PolarHBondContact O-N 2.89Å |
| 49 | D | 98.5 | Very high | 90.5 | Very high | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 156.4 | 175.9 | -165.5 | 14.4 | 0 | 0 | 0 | 110.9 | I36 K38 T51 L73 | I36-D49 PolarHBondContact N-O 3.48Å; I36-D49 PolarHBondContact O-N 2.93Å; K38-D49 HydrophobicContact CD-CB 4.24Å; K38-D49 HydrophobicContact CG-CB 3.61Å; D49-T51 PolarHBondContact O-N 3.09Å; D49-L73 HydrophobicContact CB-CD1 4.14Å |
| 50 | N | 98.1 | Very high | 88.6 | Confident | 102 Ų | 102 | 68.2 Ų | 68.2 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.5 | 42 | -174.5 | -62.7 | -39.6 | 0 | 0 | 0 | 113.3 | G72 | N50-G72 PolarHBondContact N-O 2.91Å |
| 51 | T | 98.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129.9 | -171.3 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | V33 S34 L48 D49 N70 L71 G72 I74 | V33-T51 HydrophobicContact CB-CG2 3.79Å; V33-T51 HydrophobicContact CG1-CG2 4.34Å; V33-T51 HydrophobicContact CG2-CG2 4.14Å; S34-T51 CarbonylContact O-C 3.59Å; S34-T51 VanDerWaalsContact O-CA 3.28Å; S34-T51 WeakPolarHBondContact O-CA 3.28Å; L48-T51 VanDerWaalsContact CB-OG1 3.23Å; L48-T51 WeakPolarHBondContact CB-OG1 3.41Å; L48-T51 PolarHBondContact O-OG1 3.23Å; D49-T51 PolarHBondContact O-N 3.09Å; T51-N70 PolarHBondContact O-OD1 2.8Å; T51-N70 VanDerWaalsContact O-OD1 3.08Å; T51-L71 HydrophobicContact CG2-CD1 4.48Å; T51-L71 PolarHBondContact O-N 2.82Å; T51-G72 VanDerWaalsContact CB-O 3.27Å; T51-G72 WeakPolarHBondContact CB-O 3.46Å; T51-G72 PolarHBondContact N-O 2.87Å; T51-G72 PolarHBondContact O-N 3.23Å; T51-G72 PolarHBondContact OG1-O 2.82Å; T51-G72 VanDerWaalsContact OG1-O 3.11Å; T51-I74 HydrophobicContact CG2-CD1 3.74Å; T51-I74 HydrophobicContact CG2-CG1 4.04Å |
| 52 | T | 97.7 | Very high | 84.7 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.7 | 170.8 | -60 | 0 | 0 | 0 | 0 | 109.5 | V33 S34 T68 R69 | V33-T52 CarbonylContact C-O 3.54Å; V33-T52 VanDerWaalsContact CA-O 3.27Å; V33-T52 WeakPolarHBondContact CA-O 3.09Å; S34-T52 PolarHBondContact N-O 3.27Å; S34-T52 PolarHBondContact O-N 3.17Å; T52-T68 HydrophobicContact CG2-CG2 4.18Å; T52-R69 CarbonylContact C-O 3.22Å; T52-R69 WeakPolarHBondContact CA-O 3.33Å |
| 53 | E | 96.8 | Very high | 83.2 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.2 | 172.4 | 177.6 | 172.1 | -164.6 | 0 | 0 | 110.7 | R31 E32 V33 M55 T68 R69 L71 | R31-E53 IonicContact CZ-OE1 3.24Å; R31-E53 VanDerWaalsContact CZ-OE1 3.24Å; R31-E53 IonicContact NE-OE1 2.73Å; R31-E53 PolarHBondContact NE-OE1 2.83Å; R31-E53 VanDerWaalsContact NH2-CD 3.3Å; R31-E53 IonicContact NH2-OE1 2.9Å; R31-E53 PolarHBondContact NH2-OE1 3.02Å; R31-E53 IonicContact NH2-OE2 3Å; R31-E53 PolarHBondContact NH2-OE2 2.96Å; E32-E53 WeakPolarHBondContact O-CA 3.33Å; V33-E53 HydrophobicContact CG1-CB 3.93Å; V33-E53 HydrophobicContact CG1-CG 4.13Å; E53-M55 HydrophobicContact CG-CG 4.41Å; E53-T68 CarbonylContact O-C 3.51Å; E53-T68 VanDerWaalsContact O-CA 3.26Å; E53-T68 WeakPolarHBondContact O-CA 3.31Å; E53-R69 HydrophobicContact CB-CG 3.91Å; E53-R69 PolarHBondContact N-O 3.02Å; E53-R69 PolarHBondContact O-N 3Å; E53-R69 IonicContact OE1-NH2 3.5Å; E53-R69 PolarHBondContact OE1-NH2 2.83Å; E53-R69 IonicContact OE2-CZ 3.08Å; E53-R69 IonicContact OE2-NE 2.72Å; E53-R69 PolarHBondContact OE2-NE 2.81Å; E53-R69 IonicContact OE2-NH2 2.65Å; E53-R69 PolarHBondContact OE2-NH2 2.99Å; E53-L71 HydrophobicContact CB-CD1 3.94Å; E53-L71 HydrophobicContact CB-CG 4.39Å |
| 54 | T | 93.5 | Very high | 81.9 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 14% | 0.135 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117.1 | 171.1 | -51.6 | 0 | 0 | 0 | 0 | 108.3 | E32 P66 | E32-T54 PolarHBondContact O-N 2.78Å; T54-P66 HydrophobicContact CG2-CB 3.51Å; T54-P66 HydrophobicContact CG2-CG 3.64Å |
| 55 | M | 87.2 | Confident | 80.6 | Confident | 61 Ų | 61 | 69.5 Ų | 69.5 | 30% | 0.3 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118.6 | 178.1 | -58.3 | -178.8 | -65.9 | 0 | 0 | 108.6 | E53 A67 R69 | E53-M55 HydrophobicContact CG-CG 4.41Å; M55-A67 WeakPolarHBondContact CA-O 3.49Å; M55-A67 HydrophobicContact CB-CB 4.47Å; M55-A67 VanDerWaalsContact CB-O 3.3Å; M55-A67 WeakPolarHBondContact CB-O 3.28Å; M55-A67 HydrophobicContact CE-CB 3.65Å; M55-A67 PolarHBondContact N-O 2.68Å; M55-A67 PolarHBondContact O-N 2.83Å; M55-R69 HydrophobicContact CE-CB 4.36Å; M55-R69 HydrophobicContact SD-CG 4.22Å |
| 56 | H | 76 | Confident | 79.6 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 46% | 0.458 | 41% | 0.405 | S | S | . | . | trans | -95.4 | 101.6 | 172.4 | -61.8 | -72.5 | 0 | 0 | 0 | 107.7 | ||||
| 57 | D | 69.1 | Low | 79 | Confident | 99 Ų | 99 | 72.3 Ų | 72.3 | 53% | 0.529 | 42% | 0.422 | S | S | . | . | trans | -67.5 | 149.5 | 167.9 | -68.3 | -38.1 | 0 | 0 | 0 | 109.1 | D59 A62 | D57-D59 PolarHBondContact O-N 3.39Å; D57-A62 HydrophobicContact CB-CB 3.76Å | ||
| 58 | A | 63.7 | Low | 78.7 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 88% | 0.884 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -67.5 | -15.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 59 | D | 61.8 | Low | 78.6 | Confident | 114 Ų | 114 | 79.6 Ų | 79.6 | 61% | 0.61 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -78.2 | 121.8 | 178.7 | -68.4 | -30.2 | 0 | 0 | 0 | 109.9 | D57 S61 A62 | D57-D59 PolarHBondContact O-N 3.39Å; D59-S61 PolarHBondContact O-N 2.98Å; D59-A62 WeakPolarHBondContact O-CB 3.2Å; D59-A62 PolarHBondContact O-N 3.16Å |
| 60 | E | 57.7 | Low | 78.5 | Confident | 169 Ų | 169 | 83.2 Ų | 83.2 | 79% | 0.79 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -53.8 | -23.4 | 178.9 | -67 | -176.7 | 161.5 | 0 | 0 | 113.1 | A62 Q63 | E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 3.18Å; E60-Q63 PolarHBondContact O-N 3.1Å |
| 61 | S | 53.3 | Low | 78.5 | Confident | 104 Ų | 104 | 81.4 Ų | 81.4 | 73% | 0.727 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -66.5 | -25.5 | 175.2 | 64.4 | 0 | 0 | 0 | 0 | 113.4 | D59 Q63 | D59-S61 PolarHBondContact O-N 2.98Å; S61-Q63 VanDerWaalsContact C-N 3.34Å |
| 62 | A | 57.1 | Low | 78.5 | Confident | 20 Ų | 20 | 82.4 Ų | 82.4 | 17% | 0.165 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -81.2 | -12.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D57 D59 E60 A64 N65 | D57-A62 HydrophobicContact CB-CB 3.76Å; D59-A62 WeakPolarHBondContact O-CB 3.2Å; D59-A62 PolarHBondContact O-N 3.16Å; E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 3.18Å; A62-A64 PolarHBondContact O-N 3.37Å; A62-N65 CarbonylContact O-C 3.46Å; A62-N65 PolarHBondContact O-N 3.18Å |
| 63 | Q | 59.4 | Low | 78.5 | Confident | 145 Ų | 145 | 85.8 Ų | 85.8 | 68% | 0.678 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -65.7 | -24.8 | 178.2 | -99.5 | 160.8 | -5.5 | 0 | 0 | 113.3 | E60 S61 | E60-Q63 PolarHBondContact O-N 3.1Å; S61-Q63 VanDerWaalsContact C-N 3.34Å |
| 64 | A | 63.5 | Low | 78.6 | Confident | 82 Ų | 82 | 87.1 Ų | 87.1 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -72.2 | -31.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A62 | A62-A64 PolarHBondContact O-N 3.37Š|
| 65 | N | 68.6 | Low | 78.8 | Confident | 145 Ų | 145 | 90.9 Ų | 90.9 | 78% | 0.775 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -145 | 78.1 | -178.1 | -76 | -42.3 | 0 | 0 | 0 | 109.3 | A62 A67 | A62-N65 CarbonylContact O-C 3.46Å; A62-N65 PolarHBondContact O-N 3.18Å; N65-A67 PolarHBondContact O-N 3.25Å |
| 66 | P | 76 | Confident | 79.3 | Confident | 47 Ų | 47 | 88.1 Ų | 88.1 | 31% | 0.305 | 51% | 0.506 | S | S | . | . | trans | -63.6 | 133.7 | -179 | 27.8 | -34.5 | 0 | 0 | 0 | 109.5 | T54 T68 | T54-P66 HydrophobicContact CG2-CB 3.51Å; T54-P66 HydrophobicContact CG2-CG 3.64Å; P66-T68 PolarHBondContact O-N 3.43Å | ||
| 67 | A | 86.4 | Confident | 80.4 | Confident | 42 Ų | 42 | 90.8 Ų | 90.8 | 35% | 0.347 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 130.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | M55 N65 | M55-A67 WeakPolarHBondContact CA-O 3.49Å; M55-A67 HydrophobicContact CB-CB 4.47Å; M55-A67 VanDerWaalsContact CB-O 3.3Å; M55-A67 WeakPolarHBondContact CB-O 3.28Å; M55-A67 HydrophobicContact CE-CB 3.65Å; M55-A67 PolarHBondContact N-O 2.68Å; M55-A67 PolarHBondContact O-N 2.83Å; N65-A67 PolarHBondContact O-N 3.25Å |
| 68 | T | 92.2 | Very high | 81.6 | Confident | 95 Ų | 95 | 86.6 Ų | 86.6 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 144.7 | 178.3 | 60 | 0 | 0 | 0 | 0 | 111.6 | T52 E53 P66 | T52-T68 HydrophobicContact CG2-CG2 4.18Å; E53-T68 CarbonylContact O-C 3.51Å; E53-T68 VanDerWaalsContact O-CA 3.26Å; E53-T68 WeakPolarHBondContact O-CA 3.31Å; P66-T68 PolarHBondContact O-N 3.43Å |
| 69 | R | 94.9 | Very high | 83.2 | Confident | 113 Ų | 113 | 86.6 Ų | 86.6 | 43% | 0.426 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.7 | 168.9 | 67.4 | 177.2 | -176.8 | -170.6 | -3.3 | 112.2 | T52 E53 M55 L71 | T52-R69 CarbonylContact C-O 3.22Å; T52-R69 WeakPolarHBondContact CA-O 3.33Å; E53-R69 HydrophobicContact CB-CG 3.91Å; E53-R69 PolarHBondContact N-O 3.02Å; E53-R69 PolarHBondContact O-N 3Å; E53-R69 IonicContact OE1-NH2 3.5Å; E53-R69 PolarHBondContact OE1-NH2 2.83Å; E53-R69 IonicContact OE2-CZ 3.08Å; E53-R69 IonicContact OE2-NE 2.72Å; E53-R69 PolarHBondContact OE2-NE 2.81Å; E53-R69 IonicContact OE2-NH2 2.65Å; E53-R69 PolarHBondContact OE2-NH2 2.99Å; M55-R69 HydrophobicContact CE-CB 4.36Å; M55-R69 HydrophobicContact SD-CG 4.22Å; R69-L71 HydrophobicContact CG-CD2 4.27Å |
| 70 | N | 97.3 | Very high | 84.9 | Confident | 125 Ų | 125 | 83.2 Ų | 83.2 | 67% | 0.668 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132.9 | 175.6 | -171.1 | 7.3 | 0 | 0 | 0 | 110.4 | T51 G72 | T51-N70 PolarHBondContact O-OD1 2.8Å; T51-N70 VanDerWaalsContact O-OD1 3.08Å; N70-G72 PolarHBondContact OD1-N 2.87Å |
| 71 | L | 97.9 | Very high | 86.8 | Confident | 63 Ų | 63 | 76.5 Ų | 76.5 | 33% | 0.33 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -13 | 178 | -58.7 | 180 | 0 | 0 | 0 | 112.7 | T51 E53 R69 L73 I74 | T51-L71 HydrophobicContact CG2-CD1 4.48Å; T51-L71 PolarHBondContact O-N 2.82Å; E53-L71 HydrophobicContact CB-CD1 3.94Å; E53-L71 HydrophobicContact CB-CG 4.39Å; R69-L71 HydrophobicContact CG-CD2 4.27Å; L71-L73 PolarHBondContact O-N 3.11Å; L71-I74 HydrophobicContact CB-CG2 3.63Å; L71-I74 HydrophobicContact CD1-CG2 4.37Å |
| 72 | G | 98.1 | Very high | 88.8 | Confident | 22 Ų | 22 | 77.2 Ų | 77.2 | 23% | 0.227 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.8 | -128.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N50 T51 N70 | N50-G72 PolarHBondContact N-O 2.91Å; T51-G72 VanDerWaalsContact CB-O 3.27Å; T51-G72 WeakPolarHBondContact CB-O 3.46Å; T51-G72 PolarHBondContact N-O 2.87Å; T51-G72 PolarHBondContact O-N 3.23Å; T51-G72 PolarHBondContact OG1-O 2.82Å; T51-G72 VanDerWaalsContact OG1-O 3.11Å; N70-G72 PolarHBondContact OD1-N 2.87Å |
| 73 | L | 98.5 | Very high | 90.7 | Very high | 120 Ų | 120 | 79.5 Ų | 79.5 | 63% | 0.628 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 118.8 | 178.9 | -178.1 | 67.5 | 0 | 0 | 0 | 110.4 | V47 L48 D49 L71 | V47-L73 HydrophobicContact CG1-CD1 3.79Å; L48-L73 CarbonylContact O-C 3.57Å; L48-L73 WeakPolarHBondContact O-CA 3.28Å; D49-L73 HydrophobicContact CB-CD1 4.14Å; L71-L73 PolarHBondContact O-N 3.11Å |
| 74 | I | 98.4 | Very high | 92.4 | Very high | 35 Ų | 35 | 74.5 Ų | 74.5 | 18% | 0.179 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 160.7 | 179.3 | 73 | 159.4 | 0 | 0 | 0 | 112.5 | L48 T51 L71 | L48-I74 HydrophobicContact CB-CG1 3.94Å; L48-I74 HydrophobicContact CD1-CD1 4.37Å; L48-I74 PolarHBondContact N-O 2.84Å; L48-I74 PolarHBondContact O-N 2.89Å; T51-I74 HydrophobicContact CG2-CD1 3.74Å; T51-I74 HydrophobicContact CG2-CG1 4.04Å; L71-I74 HydrophobicContact CB-CG2 3.63Å; L71-I74 HydrophobicContact CD1-CG2 4.37Å |
| 75 | V | 98.3 | Very high | 94 | Very high | 102 Ų | 102 | 71.8 Ų | 71.8 | 62% | 0.618 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.4 | 162.9 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | L46 | L46-V75 CarbonylContact O-C 3.6Å; L46-V75 VanDerWaalsContact O-CA 3.31Å; L46-V75 WeakPolarHBondContact O-CA 3.47Å |
| 76 | A | 97.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 133 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | F27 N45 L46 I81 | F27-A76 HydrophobicContact CE1-CB 3.9Å; F27-A76 HydrophobicContact CZ-CB 3.77Å; N45-A76 CarbonylContact C-O 3.5Å; N45-A76 VanDerWaalsContact CA-O 3.26Å; N45-A76 WeakPolarHBondContact CA-O 3.42Å; L46-A76 HydrophobicContact CB-CB 4.08Å; L46-A76 HydrophobicContact CG-CB 4.47Å; L46-A76 PolarHBondContact N-O 3.49Å; L46-A76 PolarHBondContact O-N 2.91Å; A76-I81 HydrophobicContact CB-CD1 4.26Å |
| 77 | R | 97.6 | Very high | 96.2 | Very high | 154 Ų | 154 | 67 Ų | 67 | 58% | 0.581 | 37% | 0.372 | S | S | * | . | trans | -84.4 | 116.9 | -178.1 | -74.9 | -72.5 | -59.9 | -165.7 | -1.9 | 110.8 | N79 T80 I81 | R77-N79 PolarHBondContact NE-OD1 3.5Å; R77-N79 PolarHBondContact NH2-OD1 2.79Å; R77-N79 PolarHBondContact O-N 2.83Å; R77-N79 VanDerWaalsContact O-N 3.16Å; R77-T80 PolarHBondContact O-N 2.88Å; R77-T80 VanDerWaalsContact O-N 3.1Å; R77-T80 PolarHBondContact O-OG1 3.08Å; R77-I81 WeakPolarHBondContact O-CG1 3.23Å | ||
| 78 | G | 96.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 71.9 Ų | 71.9 | 11% | 0.113 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -61 | -28.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L43 L44 N45 T80 I81 | L43-G78 WeakPolarHBondContact O-CA 3.27Å; L44-G78 WeakPolarHBondContact O-CA 3.27Å; N45-G78 PolarHBondContact OD1-N 3.42Å; G78-T80 PolarHBondContact O-N 3.02Å; G78-T80 VanDerWaalsContact O-N 3.16Å; G78-I81 PolarHBondContact O-N 3.4Å |
| 79 | N | 96.7 | Very high | 96.4 | Very high | 108 Ų | 108 | 70.8 Ų | 70.8 | 58% | 0.578 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -67.6 | -13.5 | 178.7 | 70.5 | -77.5 | 0 | 0 | 0 | 114.5 | R77 | R77-N79 PolarHBondContact NE-OD1 3.5Å; R77-N79 PolarHBondContact NH2-OD1 2.79Å; R77-N79 PolarHBondContact O-N 2.83Å; R77-N79 VanDerWaalsContact O-N 3.16Å |
| 80 | T | 96.9 | Very high | 96.2 | Very high | 42 Ų | 42 | 69.8 Ų | 69.8 | 26% | 0.258 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -111.6 | -0.6 | 177.8 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | F27 Q28 R77 G78 | F27-T80 CarbonylContact C-O 3.6Å; F27-T80 WeakPolarHBondContact CA-O 3.47Å; Q28-T80 PolarHBondContact N-O 2.84Å; R77-T80 PolarHBondContact O-N 2.88Å; R77-T80 VanDerWaalsContact O-N 3.1Å; R77-T80 PolarHBondContact O-OG1 3.08Å; G78-T80 PolarHBondContact O-N 3.02Å; G78-T80 VanDerWaalsContact O-N 3.16Å |
| 81 | I | 97 | Very high | 95.8 | Very high | 28 Ų | 28 | 71.5 Ų | 71.5 | 14% | 0.144 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 130.2 | -177.7 | -65.4 | 175.3 | 0 | 0 | 0 | 109.3 | V25 F27 L44 L46 A76 R77 G78 I84 | V25-I81 HydrophobicContact CG1-CD1 4.2Å; V25-I81 HydrophobicContact CG1-CG1 4.01Å; V25-I81 HydrophobicContact CG1-CG2 3.91Å; F27-I81 HydrophobicContact CD1-CG1 3.91Å; F27-I81 HydrophobicContact CE1-CD1 4.39Å; F27-I81 HydrophobicContact CE1-CG1 3.63Å; L44-I81 VanDerWaalsContact O-CD1 3.28Å; L44-I81 WeakPolarHBondContact O-CD1 3.41Å; L46-I81 HydrophobicContact CD1-CD1 3.71Å; L46-I81 HydrophobicContact CG-CD1 3.78Å; A76-I81 HydrophobicContact CB-CD1 4.26Å; R77-I81 WeakPolarHBondContact O-CG1 3.23Å; G78-I81 PolarHBondContact O-N 3.4Å; I81-I84 HydrophobicContact CG2-CD1 4.08Å; I81-I84 HydrophobicContact CG2-CG1 3.66Å |
| 82 | L | 96.7 | Very high | 95.3 | Very high | 120 Ų | 120 | 78 Ų | 78 | 63% | 0.628 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -41.6 | 175.6 | -63.2 | 179.9 | 0 | 0 | 0 | 111.9 | K26 Q28 | K26-L82 PolarHBondContact O-N 3.12Å; Q28-L82 HydrophobicContact CB-CD1 4.47Å; Q28-L82 HydrophobicContact CB-CG 4.45Å |
| 83 | V | 96 | Very high | 94.9 | Very high | 68 Ų | 68 | 81.9 Ų | 81.9 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 138.2 | -175.8 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | V25 K26 A85 | V25-V83 WeakPolarHBondContact CA-O 3.27Å; K26-V83 HydrophobicContact CB-CB 4.08Å; K26-V83 HydrophobicContact CB-CG2 4.41Å; K26-V83 HydrophobicContact CG-CB 4.28Å; K26-V83 PolarHBondContact N-O 2.65Å; K26-V83 PolarHBondContact O-N 2.72Å; V83-A85 HydrophobicContact CG1-CB 4.31Å |
| 84 | I | 96.3 | Very high | 94.5 | Very high | 40 Ų | 40 | 82.3 Ų | 82.3 | 21% | 0.205 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.2 | 166.5 | -56.7 | 171.5 | 0 | 0 | 0 | 106.2 | L15 L18 I23 L46 I81 | L15-I84 HydrophobicContact CD1-CD1 3.92Å; L15-I84 HydrophobicContact CD2-CD1 4.15Å; L15-I84 HydrophobicContact CD2-CG2 4.09Å; L18-I84 HydrophobicContact CD1-CG2 4.21Å; I23-I84 HydrophobicContact CD1-CG2 3.98Å; L46-I84 HydrophobicContact CD1-CD1 4Å; L46-I84 HydrophobicContact CD1-CG1 4.29Å; L46-I84 HydrophobicContact CD2-CD1 4.28Å; I81-I84 HydrophobicContact CG2-CD1 4.08Å; I81-I84 HydrophobicContact CG2-CG1 3.66Å |
| 85 | A | 95.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 85.2 Ų | 85.2 | 20% | 0.198 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 145.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I23 V24 V83 A87 M90 | I23-A85 CarbonylContact C-O 3.56Å; I23-A85 VanDerWaalsContact CA-O 3.3Å; I23-A85 WeakPolarHBondContact CA-O 2.87Å; I23-A85 WeakPolarHBondContact CB-O 3.39Å; V24-A85 PolarHBondContact N-O 3.5Å; V24-A85 PolarHBondContact O-N 3Å; V83-A85 HydrophobicContact CG1-CB 4.31Å; A85-A87 PolarHBondContact O-N 2.73Å; A85-M90 HydrophobicContact CB-CE 3.27Å; A85-M90 HydrophobicContact CB-SD 4.3Å; A85-M90 VanDerWaalsContact O-CE 3.27Å; A85-M90 WeakPolarHBondContact O-CE 3.3Å |
| 86 | P | 96.6 | Very high | 93.7 | Very high | 59 Ų | 59 | 84.6 Ų | 84.6 | 38% | 0.383 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 130.2 | 177.6 | 28.1 | -33.6 | 0 | 0 | 0 | 110.4 | L18 D88 M90 | L18-P86 HydrophobicContact CD2-CB 4.04Å; P86-D88 PolarHBondContact O-N 3.23Å; P86-M90 WeakPolarHBondContact O-CE 3.43Å; P86-M90 WeakPolarHBondContact O-CG 3.26Å |
| 87 | A | 95 | Very high | 93.3 | Very high | 33 Ų | 33 | 93.1 Ų | 93.1 | 27% | 0.273 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -65.5 | -26.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P22 V24 A85 G89 M90 | P22-A87 HydrophobicContact CB-CB 3.83Å; P22-A87 HydrophobicContact CG-CB 4.09Å; P22-A87 WeakPolarHBondContact O-CB 3.4Å; P22-A87 PolarHBondContact O-N 2.9Å; V24-A87 HydrophobicContact CG2-CB 4.25Å; A85-A87 PolarHBondContact O-N 2.73Å; A87-G89 PolarHBondContact O-N 3.32Å; A87-M90 PolarHBondContact O-N 3.35Å |
| 88 | D | 92.2 | Very high | 92.8 | Very high | 144 Ų | 144 | 89.2 Ų | 89.2 | 77% | 0.77 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 127.7 | 174.1 | -170.6 | 23.1 | 0 | 0 | 0 | 111 | P86 M90 | P86-D88 PolarHBondContact O-N 3.23Å; D88-M90 VanDerWaalsContact C-N 3.3Å; D88-M90 PolarHBondContact O-N 3.28Å |
| 89 | G | 90.4 | Very high | 92.1 | Very high | 72 Ų | 72 | 94.2 Ų | 94.2 | 74% | 0.742 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 1.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A87 | A87-G89 PolarHBondContact O-N 3.32Š|
| 90 | M | 90.2 | Very high | 90.9 | Very high | 92 Ų | 92 | 94.8 Ų | 94.8 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | trans | -84.1 | 121.9 | 168.7 | -77.8 | -160.5 | -115.8 | 0 | 0 | 110.7 | V24 A85 P86 A87 D88 | V24-M90 HydrophobicContact CB-CE 3.73Å; V24-M90 HydrophobicContact CB-SD 4.42Å; V24-M90 HydrophobicContact CG2-CE 3.6Å; V24-M90 HydrophobicContact CG2-SD 4.13Å; A85-M90 HydrophobicContact CB-CE 3.27Å; A85-M90 HydrophobicContact CB-SD 4.3Å; A85-M90 VanDerWaalsContact O-CE 3.27Å; A85-M90 WeakPolarHBondContact O-CE 3.3Å; P86-M90 WeakPolarHBondContact O-CE 3.43Å; P86-M90 WeakPolarHBondContact O-CG 3.26Å; A87-M90 PolarHBondContact O-N 3.35Å; D88-M90 VanDerWaalsContact C-N 3.3Å; D88-M90 PolarHBondContact O-N 3.28Å | ||
| 91 | E | 89.9 | Confident | 89.8 | Confident | 161 Ų | 161 | 100 Ų | 100 | 75% | 0.752 | 56% | 0.555 | S | S | * | * | trans | -136.2 | 146.2 | 173.6 | 61.7 | 177.9 | -173.8 | 0 | 0 | 111.1 | I93 | E91-I93 HydrophobicContact CG-CG2 3.88Å; E91-I93 PolarHBondContact O-N 3.44Å | ||
| 92 | Q | 87.7 | Confident | 88.2 | Confident | 199 Ų | 199 | 105.6 Ų | 105.6 | 93% | 0.93 | 58% | 0.583 | S | S | * | * | trans | -76.4 | 118.9 | 169.7 | -177.5 | 176.8 | -2.5 | 0 | 0 | 108.5 | ||||
| 93 | I | 89.5 | Confident | 86.2 | Confident | 105 Ų | 105 | 106.9 Ų | 106.9 | 54% | 0.538 | 61% | 0.611 | S | S | . | * | trans | -106.4 | 154.4 | 176.9 | 63.2 | 171.8 | 0 | 0 | 0 | 110.8 | E91 P96 | E91-I93 HydrophobicContact CG-CG2 3.88Å; E91-I93 PolarHBondContact O-N 3.44Å; I93-P96 HydrophobicContact CD1-CG 4.31Å | ||
| 94 | V | 88.8 | Confident | 85.7 | Confident | 129 Ų | 129 | 108.8 Ų | 108.8 | 78% | 0.782 | 62% | 0.62 | S | S | * | * | trans | -64.6 | 159.6 | 162.7 | -63.4 | 0 | 0 | 0 | 0 | 109.8 | P96 | V94-P96 VanDerWaalsContact O-CD 3.26Å; V94-P96 WeakPolarHBondContact O-CD 3.49Å | ||
| 95 | N | 89.9 | Confident | 85.1 | Confident | 95 Ų | 95 | 112.4 Ų | 112.4 | 51% | 0.508 | 64% | 0.642 | S | S | . | * | trans | -57.4 | 114.3 | 177.1 | -178.6 | -18.1 | 0 | 0 | 0 | 110.2 | F97 V98 | N95-F97 PolarHBondContact O-N 3.39Å; N95-F97 VanDerWaalsContact O-N 3.11Å; N95-F97 WeakPolarHBondContact OD1-CD2 3.37Å; N95-F97 PolarHBondContact OD1-N 2.79Å; N95-V98 HydrophobicContact CB-CG2 3.87Å; N95-V98 PolarHBondContact O-N 3.37Å | ||
| 96 | P | 90.4 | Very high | 84.5 | Confident | 90 Ų | 90 | 117.3 Ų | 117.3 | 58% | 0.584 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -2.4 | -171.9 | 31.7 | -36.6 | 0 | 0 | 0 | 113.7 | I93 V94 | I93-P96 HydrophobicContact CD1-CG 4.31Å; V94-P96 VanDerWaalsContact O-CD 3.26Å; V94-P96 WeakPolarHBondContact O-CD 3.49Å |
| 97 | F | 89.5 | Confident | 83.8 | Confident | 181 Ų | 181 | 120.8 Ų | 120.8 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -8.6 | 179.2 | -55.2 | -73.5 | 0 | 0 | 0 | 113.4 | N95 Q99 | N95-F97 PolarHBondContact O-N 3.39Å; N95-F97 VanDerWaalsContact O-N 3.11Å; N95-F97 WeakPolarHBondContact OD1-CD2 3.37Å; N95-F97 PolarHBondContact OD1-N 2.79Å; F97-Q99 PolarHBondContact O-N 2.97Å |
| 98 | V | 87.1 | Confident | 83.1 | Confident | 73 Ų | 73 | 126.3 Ų | 126.3 | 44% | 0.442 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -76.8 | 116.4 | 173 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | N95 A103 | N95-V98 HydrophobicContact CB-CG2 3.87Å; N95-V98 PolarHBondContact O-N 3.37Å; V98-A103 HydrophobicContact CG1-CB 4.44Å |
| 99 | Q | 81.1 | Confident | 82.5 | Confident | 116 Ų | 116 | 125.1 Ų | 125.1 | 54% | 0.542 | 71% | 0.705 | S | S | . | * | trans | -60.7 | 137.4 | 172.7 | -67.3 | 179.3 | 6.9 | 0 | 0 | 108.3 | F97 D101 M102 | F97-Q99 PolarHBondContact O-N 2.97Å; Q99-D101 PolarHBondContact O-N 2.87Å; Q99-M102 HydrophobicContact CB-CG 4.4Å; Q99-M102 PolarHBondContact O-N 3.22Å | ||
| 100 | P | 73.2 | Confident | 82 | Confident | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -52.5 | -26 | -179.2 | -26.2 | 33.3 | 0 | 0 | 0 | 113.7 | ||
| 101 | D | 71.9 | Confident | 81.3 | Confident | 151 Ų | 151 | 131.7 Ų | 131.7 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -89.9 | 3 | -175.6 | -53.7 | -27.6 | 0 | 0 | 0 | 114 | Q99 | Q99-D101 PolarHBondContact O-N 2.87Š|
| 102 | M | 63.6 | Low | 80.6 | Confident | 147 Ų | 147 | 129.3 Ų | 129.3 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -115.3 | 12.6 | -179.8 | -67.7 | -163.2 | -179.8 | 0 | 0 | 114.4 | Q99 | Q99-M102 HydrophobicContact CB-CG 4.4Å; Q99-M102 PolarHBondContact O-N 3.22Å |
| 103 | A | 54.9 | Low | 80 | Confident | 146 Ų | 146 | 122.9 Ų | 122.9 | 100% | 1.207 | 70% | 0.7 | S | S | * | * | trans | -105 | 0 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V98 | V98-A103 HydrophobicContact CG1-CB 4.44Š|
Retrieved 103 of 103 residues in 145.9 ms
(Link to these results)