| 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 | 64.6 | Low | 82.5 | Confident | 189 Ų | 189 | 97.5 Ų | 97.5 | 93% | 0.931 | 50% | 0.495 | S | S | * | . | 0 | 143.4 | 0 | -75.1 | -144.2 | -82.7 | 0 | 0 | 109.5 | T5 | M1-T5 HydrophobicContact SD-CG2 3.72Š| |||
| 2 | S | 84.1 | Confident | 82.7 | Confident | 72 Ų | 72 | 102.4 Ų | 102.4 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | trans | -65.2 | 152 | 175 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | A4 T5 K6 | S2-A4 PolarHBondContact O-N 3.3Å; S2-A4 PolarHBondContact OG-N 3.34Å; S2-T5 WeakPolarHBondContact O-CB 3.02Å; S2-T5 PolarHBondContact O-N 2.52Å; S2-T5 VanDerWaalsContact O-N 3.12Å; S2-K6 PolarHBondContact O-N 3.09Å | ||
| 3 | Q | 79.4 | Confident | 82.7 | Confident | 140 Ų | 140 | 101.8 Ų | 101.8 | 65% | 0.654 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -55.6 | -38.4 | 175.1 | -171 | -176.8 | 14.5 | 0 | 0 | 111.6 | K6 R7 | Q3-K6 PolarHBondContact O-N 3.34Å; Q3-R7 PolarHBondContact O-N 2.99Å |
| 4 | A | 82.5 | Confident | 82.7 | Confident | 72 Ų | 72 | 94.7 Ų | 94.7 | 60% | 0.595 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | S2 K6 R7 K8 | S2-A4 PolarHBondContact O-N 3.3Å; S2-A4 PolarHBondContact OG-N 3.34Å; A4-K6 PolarHBondContact O-N 2.95Å; A4-R7 PolarHBondContact O-N 3.38Å; A4-K8 PolarHBondContact O-N 3.14Å; A4-K8 VanDerWaalsContact O-N 3.08Å |
| 5 | T | 86.6 | Confident | 82.4 | Confident | 56 Ų | 56 | 94.9 Ų | 94.9 | 34% | 0.344 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 176 | -46 | 0 | 0 | 0 | 0 | 110.5 | M1 S2 R7 K8 H9 | M1-T5 HydrophobicContact SD-CG2 3.72Å; S2-T5 WeakPolarHBondContact O-CB 3.02Å; S2-T5 PolarHBondContact O-N 2.52Å; S2-T5 VanDerWaalsContact O-N 3.12Å; T5-R7 PolarHBondContact O-N 3.46Å; T5-K8 PolarHBondContact O-N 3.42Å; T5-H9 PolarHBondContact O-N 3.03Å; T5-H9 PolarHBondContact O-ND1 3.18Å |
| 6 | K | 84 | Confident | 81.5 | Confident | 109 Ų | 109 | 91.8 Ų | 91.8 | 47% | 0.474 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 176.9 | -169.4 | 177.6 | -177.6 | 179.7 | 0 | 111.7 | S2 Q3 A4 K8 H9 V10 | S2-K6 PolarHBondContact O-N 3.09Å; Q3-K6 PolarHBondContact O-N 3.34Å; A4-K6 PolarHBondContact O-N 2.95Å; K6-K8 VanDerWaalsContact C-N 3.34Å; K6-K8 PolarHBondContact O-N 3.24Å; K6-H9 PolarHBondContact O-N 3.42Å; K6-V10 WeakPolarHBondContact O-CG2 3.24Å; K6-V10 PolarHBondContact O-N 3.14Å |
| 7 | R | 84.5 | Confident | 80.9 | Confident | 130 Ų | 130 | 90.9 Ų | 90.9 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 176.2 | -176.1 | 179.4 | 175.8 | -167 | -1.4 | 111.7 | Q3 A4 T5 H9 V10 V11 N60 | Q3-R7 PolarHBondContact O-N 2.99Å; A4-R7 PolarHBondContact O-N 3.38Å; T5-R7 PolarHBondContact O-N 3.46Å; R7-H9 VanDerWaalsContact C-N 3.32Å; R7-H9 PolarHBondContact O-N 3.18Å; R7-V10 PolarHBondContact O-N 3.2Å; R7-V11 HydrophobicContact CG-CG2 4.29Å; R7-V11 VanDerWaalsContact O-CG2 3.31Å; R7-V11 WeakPolarHBondContact O-CG2 3.45Å; R7-V11 PolarHBondContact O-N 2.99Å; R7-N60 HydrophobicContact CG-CB 4.4Å |
| 8 | K | 86.9 | Confident | 80.2 | Confident | 157 Ų | 157 | 91.8 Ų | 91.8 | 68% | 0.683 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.3 | -43.2 | 177.2 | -177 | 179.9 | 177.7 | 179 | 0 | 112.2 | A4 T5 K6 K12 | A4-K8 PolarHBondContact O-N 3.14Å; A4-K8 VanDerWaalsContact O-N 3.08Å; T5-K8 PolarHBondContact O-N 3.42Å; K6-K8 VanDerWaalsContact C-N 3.34Å; K6-K8 PolarHBondContact O-N 3.24Å; K8-K12 WeakPolarHBondContact O-CB 3.27Å; K8-K12 PolarHBondContact O-N 3.36Å |
| 9 | H | 85.8 | Confident | 79.6 | Confident | 86 Ų | 86 | 89.5 Ų | 89.5 | 40% | 0.398 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.2 | -46.9 | 179 | -69.9 | 81.2 | 0 | 0 | 0 | 111.3 | T5 K6 R7 V11 K12 E13 | T5-H9 PolarHBondContact O-N 3.03Å; T5-H9 PolarHBondContact O-ND1 3.18Å; K6-H9 PolarHBondContact O-N 3.42Å; R7-H9 VanDerWaalsContact C-N 3.32Å; R7-H9 PolarHBondContact O-N 3.18Å; H9-V11 VanDerWaalsContact C-N 3.35Å; H9-V11 PolarHBondContact O-N 2.98Å; H9-K12 PolarHBondContact O-N 3.21Å; H9-K12 VanDerWaalsContact O-N 3.14Å; H9-E13 WeakPolarHBondContact O-CG 3.33Å; H9-E13 PolarHBondContact O-N 3.06Å |
| 10 | V | 84.7 | Confident | 79.2 | Confident | 8 Ų | 8 | 88.7 Ų | 88.7 | 5% | 0.048 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 178.4 | 172 | 0 | 0 | 0 | 0 | 111.5 | K6 R7 K12 E13 V14 F57 N60 I61 | K6-V10 WeakPolarHBondContact O-CG2 3.24Å; K6-V10 PolarHBondContact O-N 3.14Å; R7-V10 PolarHBondContact O-N 3.2Å; V10-K12 VanDerWaalsContact C-N 3.32Å; V10-K12 PolarHBondContact O-N 3.31Å; V10-E13 PolarHBondContact O-N 3.1Å; V10-V14 WeakPolarHBondContact O-CG2 3.34Å; V10-V14 PolarHBondContact O-N 2.7Å; V10-V14 VanDerWaalsContact O-N 3.08Å; V10-F57 HydrophobicContact CG1-CD1 3.79Å; V10-F57 HydrophobicContact CG1-CE1 4.16Å; V10-N60 HydrophobicContact CG1-CB 4.28Å; V10-I61 HydrophobicContact CG1-CD1 3.97Å; V10-I61 HydrophobicContact CG1-CG1 4.36Å |
| 11 | V | 84.4 | Confident | 78.9 | Confident | 54 Ų | 54 | 85.9 Ų | 85.9 | 33% | 0.327 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 178.5 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | R7 H9 L15 | R7-V11 HydrophobicContact CG-CG2 4.29Å; R7-V11 VanDerWaalsContact O-CG2 3.31Å; R7-V11 WeakPolarHBondContact O-CG2 3.45Å; R7-V11 PolarHBondContact O-N 2.99Å; H9-V11 VanDerWaalsContact C-N 3.35Å; H9-V11 PolarHBondContact O-N 2.98Å; V11-L15 HydrophobicContact CG1-CD1 3.72Å; V11-L15 HydrophobicContact CG1-CG 4.48Å; V11-L15 WeakPolarHBondContact O-CB 3.47Å; V11-L15 WeakPolarHBondContact O-CG 3.47Å; V11-L15 PolarHBondContact O-N 3.3Å; V11-L15 VanDerWaalsContact O-N 3.07Å |
| 12 | K | 85.4 | Confident | 79.5 | Confident | 156 Ų | 156 | 81 Ų | 81 | 68% | 0.678 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 178.6 | -172.5 | -176.9 | 177.8 | -170.9 | 0 | 112.3 | K8 H9 V10 G16 | K8-K12 WeakPolarHBondContact O-CB 3.27Å; K8-K12 PolarHBondContact O-N 3.36Å; H9-K12 PolarHBondContact O-N 3.21Å; H9-K12 VanDerWaalsContact O-N 3.14Å; V10-K12 VanDerWaalsContact C-N 3.32Å; V10-K12 PolarHBondContact O-N 3.31Å; K12-G16 WeakPolarHBondContact O-CA 3.39Å; K12-G16 PolarHBondContact O-N 3.42Å |
| 13 | E | 82.7 | Confident | 79 | Confident | 95 Ų | 95 | 86.9 Ų | 86.9 | 44% | 0.444 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 177.1 | -73.8 | 172.1 | -175.6 | 0 | 0 | 110.6 | H9 V10 L15 G16 D17 | H9-E13 WeakPolarHBondContact O-CG 3.33Å; H9-E13 PolarHBondContact O-N 3.06Å; V10-E13 PolarHBondContact O-N 3.1Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.31Å; E13-G16 PolarHBondContact O-N 3.42Å; E13-D17 WeakPolarHBondContact O-CB 3.5Å; E13-D17 PolarHBondContact O-N 2.92Å |
| 14 | V | 81.7 | Confident | 79.1 | Confident | 2 Ų | 2 | 86.3 Ų | 86.3 | 1% | 0.012 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.7 | -34.4 | -178.3 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | V10 F57 I61 I87 Y89 H92 | V10-V14 WeakPolarHBondContact O-CG2 3.34Å; V10-V14 PolarHBondContact O-N 2.7Å; V10-V14 VanDerWaalsContact O-N 3.08Å; V14-F57 HydrophobicContact CG2-CD1 4.32Å; V14-F57 HydrophobicContact CG2-CE1 3.51Å; V14-F57 HydrophobicContact CG2-CZ 4.14Å; V14-I61 HydrophobicContact CB-CD1 4.15Å; V14-I61 HydrophobicContact CG1-CD1 4.23Å; V14-I61 HydrophobicContact CG2-CD1 3.61Å; V14-I87 HydrophobicContact CG1-CB 4.33Å; V14-Y89 HydrophobicContact CG1-CD2 4.37Å; V14-Y89 HydrophobicContact CG1-CE2 3.63Å; V14-H92 PolarHBondContact O-CE1 2.95Å |
| 15 | L | 78.7 | Confident | 79.3 | Confident | 98 Ų | 98 | 84.4 Ų | 84.4 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -83.4 | -23.5 | 177.6 | -68.8 | 171 | 0 | 0 | 0 | 114 | V11 E13 Y89 | V11-L15 HydrophobicContact CG1-CD1 3.72Å; V11-L15 HydrophobicContact CG1-CG 4.48Å; V11-L15 WeakPolarHBondContact O-CB 3.47Å; V11-L15 WeakPolarHBondContact O-CG 3.47Å; V11-L15 PolarHBondContact O-N 3.3Å; V11-L15 VanDerWaalsContact O-N 3.07Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.31Å; L15-Y89 HydrophobicContact CD2-CD2 3.8Å; L15-Y89 HydrophobicContact CD2-CE2 3.62Å; L15-Y89 HydrophobicContact CG-CE2 4.4Å |
| 16 | G | 67.9 | Low | 79.5 | Confident | 44 Ų | 44 | 85.9 Ų | 85.9 | 45% | 0.454 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -99.1 | -27.3 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | K12 E13 F18 | K12-G16 WeakPolarHBondContact O-CA 3.39Å; K12-G16 PolarHBondContact O-N 3.42Å; E13-G16 PolarHBondContact O-N 3.42Å; G16-F18 PolarHBondContact O-N 2.97Å |
| 17 | D | 71 | Confident | 79.8 | Confident | 78 Ų | 78 | 81 Ų | 81 | 42% | 0.417 | 41% | 0.407 | S | S | . | . | trans | -92 | 101 | -172.8 | -64.5 | -17.4 | 0 | 0 | 0 | 110.2 | E13 I19 | E13-D17 WeakPolarHBondContact O-CB 3.5Å; E13-D17 PolarHBondContact O-N 2.92Å; D17-I19 HydrophobicContact CB-CD1 3.7Å; D17-I19 HydrophobicContact CB-CG1 3.89Å; D17-I19 VanDerWaalsContact O-CD1 3.28Å; D17-I19 WeakPolarHBondContact O-CD1 3.41Å; D17-I19 PolarHBondContact O-N 2.76Å; D17-I19 VanDerWaalsContact O-N 3.08Å | ||
| 18 | F | 69.3 | Low | 80.2 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 47% | 0.465 | 38% | 0.384 | S | S | . | . | trans | -75.8 | 90.9 | 167.7 | -63.6 | -82.9 | 0 | 0 | 0 | 109 | G16 D91 H92 Y95 | G16-F18 PolarHBondContact O-N 2.97Å; F18-D91 HydrophobicContact CE1-CB 4.49Å; F18-H92 AromaticContact CD1-CD2 3.74Å; F18-H92 AromaticContact CE1-CD2 3.77Å; F18-Y95 HydrophobicContact CB-CD1 4.17Å; F18-Y95 HydrophobicContact CB-CE1 4.15Å; F18-Y95 HydrophobicContact CD1-CD1 4.38Å; F18-Y95 HydrophobicContact CD1-CG 4.08Å | ||
| 19 | I | 67.6 | Low | 80.5 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 135.7 | -175.3 | -56.3 | 127.1 | 0 | 0 | 0 | 110.5 | D17 F86 | D17-I19 HydrophobicContact CB-CD1 3.7Å; D17-I19 HydrophobicContact CB-CG1 3.89Å; D17-I19 VanDerWaalsContact O-CD1 3.28Å; D17-I19 WeakPolarHBondContact O-CD1 3.41Å; D17-I19 PolarHBondContact O-N 2.76Å; D17-I19 VanDerWaalsContact O-N 3.08Å; I19-F86 HydrophobicContact CD1-CD1 3.26Å; I19-F86 HydrophobicContact CD1-CD2 3.81Å; I19-F86 HydrophobicContact CD1-CE1 3.11Å; I19-F86 HydrophobicContact CD1-CE2 3.67Å; I19-F86 HydrophobicContact CD1-CG 3.61Å; I19-F86 HydrophobicContact CD1-CZ 3.32Å; I19-F86 HydrophobicContact CG1-CE1 4.39Å; I19-F86 HydrophobicContact CG1-CE2 4.39Å; I19-F86 HydrophobicContact CG1-CZ 4.22Å |
| 20 | T | 71.4 | Confident | 80.9 | Confident | 73 Ų | 73 | 64.2 Ų | 64.2 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 128.8 | 167.6 | -48.1 | 0 | 0 | 0 | 0 | 108.6 | T22 L101 | T20-T22 PolarHBondContact O-N 2.71Å; T20-L101 HydrophobicContact CG2-CD1 3.34Å |
| 21 | P | 74.4 | Confident | 81.4 | Confident | 31 Ų | 31 | 66 Ų | 66 | 20% | 0.201 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 132.5 | 176.1 | 23.2 | -32.5 | 0 | 0 | 0 | 110.2 | Q25 I27 L96 | P21-Q25 HydrophobicContact CB-CB 4.36Å; P21-I27 HydrophobicContact CG-CD1 4.47Å; P21-L96 HydrophobicContact CG-CD2 4.38Å |
| 22 | T | 76.8 | Confident | 81.7 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -78 | 163.2 | 175.7 | -47.7 | 0 | 0 | 0 | 0 | 110 | T20 N24 Q25 | T20-T22 PolarHBondContact O-N 2.71Å; T22-N24 PolarHBondContact O-N 3.02Å; T22-N24 VanDerWaalsContact O-N 3.08Å; T22-Q25 WeakPolarHBondContact O-CB 3.26Å; T22-Q25 PolarHBondContact O-N 3.18Å; T22-Q25 PolarHBondContact OG1-OE1 3.22Å |
| 23 | E | 72.9 | Confident | 82 | Confident | 195 Ų | 195 | 61 Ų | 61 | 91% | 0.911 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -32 | -174.1 | -65.3 | -178.6 | 169.1 | 0 | 0 | 115 | ||
| 24 | N | 81.1 | Confident | 82.4 | Confident | 127 Ų | 127 | 63.4 Ų | 63.4 | 68% | 0.679 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -7.2 | 178.8 | -60.4 | -28.8 | 0 | 0 | 0 | 113.1 | T22 P73 | T22-N24 PolarHBondContact O-N 3.02Å; T22-N24 VanDerWaalsContact O-N 3.08Å; N24-P73 WeakPolarHBondContact O-CD 3.33Å; N24-P73 VanDerWaalsContact O-CG 3.3Å; N24-P73 WeakPolarHBondContact O-CG 3.44Å |
| 25 | Q | 88.6 | Confident | 82.8 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 15% | 0.15 | 36% | 0.362 | C | S | . | . | trans | -90.4 | 140.8 | -174.8 | -79.7 | 174.2 | -14.8 | 0 | 0 | 111.3 | P21 T22 I70 V71 D72 S85 | P21-Q25 HydrophobicContact CB-CB 4.36Å; T22-Q25 WeakPolarHBondContact O-CB 3.26Å; T22-Q25 PolarHBondContact O-N 3.18Å; T22-Q25 PolarHBondContact OG1-OE1 3.22Å; Q25-I70 HydrophobicContact CB-CG2 3.64Å; Q25-I70 HydrophobicContact CG-CG2 3.83Å; Q25-V71 WeakPolarHBondContact CA-O 3.44Å; Q25-D72 WeakPolarHBondContact CG-OD1 3.34Å; Q25-D72 PolarHBondContact NE2-OD1 2.96Å; Q25-S85 PolarHBondContact NE2-OG 2.85Å | ||
| 26 | Q | 88.9 | Confident | 83.3 | Confident | 87 Ų | 87 | 67.4 Ų | 67.4 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142 | 176.9 | -170.5 | 168.1 | 41.4 | 0 | 0 | 111.2 | V28 I70 V71 | Q26-V28 HydrophobicContact CG-CG1 4.16Å; Q26-I70 WeakPolarHBondContact O-CA 3.4Å; Q26-V71 HydrophobicContact CB-CG2 4.13Å; Q26-V71 PolarHBondContact N-O 3.44Å; Q26-V71 WeakPolarHBondContact O-CG2 3.36Å; Q26-V71 PolarHBondContact O-N 3.46Å |
| 27 | I | 91.3 | Very high | 84.5 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129 | 170.7 | -63.2 | 164.4 | 0 | 0 | 0 | 108.2 | P21 I70 L88 L96 W102 P103 F106 | P21-I27 HydrophobicContact CG-CD1 4.47Å; I27-I70 HydrophobicContact CG1-CG1 4.26Å; I27-L88 HydrophobicContact CG1-CD1 4.31Å; I27-L88 HydrophobicContact CG2-CD1 4.16Å; I27-L96 HydrophobicContact CD1-CD1 4.23Å; I27-W102 HydrophobicContact CD1-CE3 4.17Å; I27-W102 HydrophobicContact CD1-CZ3 4.31Å; I27-W102 HydrophobicContact CG2-CH2 4.15Å; I27-W102 HydrophobicContact CG2-CZ3 4.04Å; I27-P103 HydrophobicContact CB-CG 3.99Å; I27-P103 HydrophobicContact CD1-CG 4.27Å; I27-P103 HydrophobicContact CG2-CG 4.36Å; I27-F106 HydrophobicContact CG2-CD2 4.36Å; I27-F106 HydrophobicContact CG2-CE2 4.18Å; I27-F106 WeakPolarHBondContact O-CE2 3.3Å |
| 28 | V | 92.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 155.4 | 178.4 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | Q26 A41 V42 F49 Y68 V69 V71 | Q26-V28 HydrophobicContact CG-CG1 4.16Å; V28-A41 HydrophobicContact CB-CB 4.02Å; V28-A41 HydrophobicContact CG2-CB 3.6Å; V28-V42 WeakPolarHBondContact CA-O 3.3Å; V28-V42 WeakPolarHBondContact CB-O 3.44Å; V28-F49 HydrophobicContact CG1-CE1 4.1Å; V28-F49 HydrophobicContact CG1-CZ 3.82Å; V28-Y68 WeakPolarHBondContact O-CA 3.38Å; V28-V69 HydrophobicContact CG2-CG2 3.56Å; V28-V69 PolarHBondContact N-O 2.86Å; V28-V69 PolarHBondContact O-N 2.69Å; V28-V71 HydrophobicContact CG1-CG2 3.92Å; V28-V71 HydrophobicContact CG2-CB 4.36Å; V28-V71 HydrophobicContact CG2-CG1 3.5Å; V28-V71 VanDerWaalsContact CG2-CG1 3.5Å; V28-V71 HydrophobicContact CG2-CG2 3.91Å |
| 29 | K | 93.5 | Very high | 86.7 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 8% | 0.078 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131 | 179 | -176.4 | 179.9 | -175.1 | 174.1 | 0 | 110.6 | A41 V42 Y68 F106 E109 | K29-A41 CarbonylContact O-C 3.53Å; K29-A41 VanDerWaalsContact O-CA 3.25Å; K29-A41 WeakPolarHBondContact O-CA 3.49Å; K29-V42 PolarHBondContact N-O 3.25Å; K29-V42 PolarHBondContact O-N 3.07Å; K29-Y68 HydrophobicContact CB-CD1 4.07Å; K29-Y68 HydrophobicContact CB-CE1 3.93Å; K29-Y68 HydrophobicContact CD-CE1 4.18Å; K29-Y68 HydrophobicContact CG-CD1 4.39Å; K29-Y68 HydrophobicContact CG-CE1 4.05Å; K29-F106 HydrophobicContact CB-CD1 4.22Å; K29-F106 HydrophobicContact CB-CE1 3.59Å; K29-F106 HydrophobicContact CB-CZ 4.19Å; K29-E109 VanDerWaalsContact CD-OE2 3.27Å; K29-E109 WeakPolarHBondContact CD-OE2 3.41Å; K29-E109 IonicContact NZ-OE1 2.71Å; K29-E109 PolarHBondContact NZ-OE1 3.26Å; K29-E109 IonicContact NZ-OE2 2.76Å; K29-E109 PolarHBondContact NZ-OE2 3.43Å |
| 30 | V | 94.7 | Very high | 88 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.7 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | H39 I63 G66 D67 V69 | V30-H39 HydrophobicContact CG1-CB 4.26Å; V30-I63 HydrophobicContact CB-CG2 4.06Å; V30-I63 HydrophobicContact CG1-CG2 3.94Å; V30-I63 HydrophobicContact CG2-CG2 3.88Å; V30-G66 PolarHBondContact O-N 2.77Å; V30-D67 PolarHBondContact N-O 2.61Å; V30-V69 HydrophobicContact CG2-CG1 4Å; V30-V69 HydrophobicContact CG2-CG2 3.79Å |
| 31 | T | 93.8 | Very high | 89.1 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -35.2 | 177.2 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | E40 V42 R65 | T31-E40 PolarHBondContact N-O 3.26Å; T31-V42 VanDerWaalsContact OG1-CG2 3.24Å; T31-V42 WeakPolarHBondContact OG1-CG2 3.39Å; T31-R65 WeakPolarHBondContact O-CB 3.28Å; T31-R65 VanDerWaalsContact O-CD 3.23Å; T31-R65 WeakPolarHBondContact O-CD 3.49Å; T31-R65 WeakPolarHBondContact O-CG 3.21Å |
| 32 | G | 91.9 | Very high | 90 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.9 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H39 E40 | G32-H39 CarbonylContact O-C 3.51Å; G32-H39 WeakPolarHBondContact O-CA 3.14Å; G32-E40 PolarHBondContact O-N 3.39Å |
| 33 | S | 91.8 | Very high | 90.7 | Very high | 85 Ų | 85 | 54 Ų | 54 | 59% | 0.594 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135.8 | 174.3 | 55.9 | 0 | 0 | 0 | 0 | 111 | ||
| 34 | R | 90.8 | Very high | 91.4 | Very high | 145 Ų | 145 | 46.2 Ų | 46.2 | 55% | 0.547 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 8.5 | 179.8 | -68.6 | -76 | 154.7 | 75.3 | -1.8 | 113.7 | L38 E40 L50 | R34-L38 HydrophobicContact CB-CB 4.47Å; R34-L38 PolarHBondContact N-O 3.08Å; R34-E40 HydrophobicContact CG-CB 4.36Å; R34-E40 VanDerWaalsContact CZ-CD 3.4Å; R34-E40 IonicContact CZ-OE1 3.26Å; R34-E40 VanDerWaalsContact CZ-OE1 3.26Å; R34-E40 IonicContact CZ-OE2 3.3Å; R34-E40 VanDerWaalsContact CZ-OE2 3.3Å; R34-E40 IonicContact NH1-OE1 2.69Å; R34-E40 PolarHBondContact NH1-OE1 3.05Å; R34-E40 IonicContact NH1-OE2 3.5Å; R34-E40 IonicContact NH2-OE1 3.01Å; R34-E40 PolarHBondContact NH2-OE1 3.2Å; R34-E40 IonicContact NH2-OE2 2.61Å; R34-E40 PolarHBondContact NH2-OE2 3.35Å; R34-L50 HydrophobicContact CB-CD2 4.18Å; R34-L50 HydrophobicContact CG-CD2 3.72Å |
| 35 | G | 88.9 | Confident | 91.6 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.5 | 171.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N37 L38 | G35-N37 VanDerWaalsContact C-N 3.26Å; G35-N37 PolarHBondContact O-N 3.25Å; G35-N37 VanDerWaalsContact O-N 3.15Å; G35-L38 WeakPolarHBondContact O-CB 3.23Å; G35-L38 PolarHBondContact O-N 3.07Å |
| 36 | N | 90.9 | Very high | 91.5 | Very high | 143 Ų | 143 | 48.8 Ų | 48.8 | 77% | 0.765 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 38.1 | 179.8 | -164.6 | 33.2 | 0 | 0 | 0 | 115.1 | L38 | N36-L38 PolarHBondContact O-N 3.25Å; N36-L38 VanDerWaalsContact O-N 3.16Å |
| 37 | N | 91.6 | Very high | 91.5 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 34% | 0.342 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 24.2 | -175.6 | -56.5 | 118.8 | 0 | 0 | 0 | 114.5 | G35 M53 R58 | G35-N37 VanDerWaalsContact C-N 3.26Å; G35-N37 PolarHBondContact O-N 3.25Å; G35-N37 VanDerWaalsContact O-N 3.15Å; N37-M53 HydrophobicContact CB-CB 4.27Å; N37-M53 WeakPolarHBondContact O-CB 3.45Å; N37-M53 PolarHBondContact O-N 3.03Å; N37-R58 HydrophobicContact CB-CG 4.33Å; N37-R58 WeakPolarHBondContact OD1-CD 3.13Å |
| 38 | L | 93.1 | Very high | 91.6 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 137.9 | 169.8 | -59.6 | 176.7 | 0 | 0 | 0 | 110.2 | R34 G35 N36 V51 V80 | R34-L38 HydrophobicContact CB-CB 4.47Å; R34-L38 PolarHBondContact N-O 3.08Å; G35-L38 WeakPolarHBondContact O-CB 3.23Å; G35-L38 PolarHBondContact O-N 3.07Å; N36-L38 PolarHBondContact O-N 3.25Å; N36-L38 VanDerWaalsContact O-N 3.16Å; L38-V51 WeakPolarHBondContact CA-O 3.45Å; L38-V80 HydrophobicContact CD1-CG2 4.27Å; L38-V80 HydrophobicContact CD2-CG1 4.27Å; L38-V80 HydrophobicContact CD2-CG2 3.77Å |
| 39 | H | 94 | Very high | 91.6 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.9 | 176.7 | -60.3 | -89.9 | 0 | 0 | 0 | 109.3 | V30 G32 L50 V51 | V30-H39 HydrophobicContact CG1-CB 4.26Å; G32-H39 CarbonylContact O-C 3.51Å; G32-H39 WeakPolarHBondContact O-CA 3.14Å; H39-L50 CarbonylContact O-C 3.49Å; H39-L50 WeakPolarHBondContact O-CA 3.4Å; H39-V51 HydrophobicContact CB-CG2 3.79Å; H39-V51 PolarHBondContact N-O 3.1Å; H39-V51 WeakPolarHBondContact O-CG2 3.24Å; H39-V51 PolarHBondContact O-N 3.36Å |
| 40 | E | 94.4 | Very high | 91.6 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 13% | 0.131 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.7 | 167.4 | -179.3 | -178 | -116.6 | 0 | 0 | 108.5 | T31 G32 R34 F49 L50 | T31-E40 PolarHBondContact N-O 3.26Å; G32-E40 PolarHBondContact O-N 3.39Å; R34-E40 HydrophobicContact CG-CB 4.36Å; R34-E40 VanDerWaalsContact CZ-CD 3.4Å; R34-E40 IonicContact CZ-OE1 3.26Å; R34-E40 VanDerWaalsContact CZ-OE1 3.26Å; R34-E40 IonicContact CZ-OE2 3.3Å; R34-E40 VanDerWaalsContact CZ-OE2 3.3Å; R34-E40 IonicContact NH1-OE1 2.69Å; R34-E40 PolarHBondContact NH1-OE1 3.05Å; R34-E40 IonicContact NH1-OE2 3.5Å; R34-E40 IonicContact NH2-OE1 3.01Å; R34-E40 PolarHBondContact NH2-OE1 3.2Å; R34-E40 IonicContact NH2-OE2 2.61Å; R34-E40 PolarHBondContact NH2-OE2 3.35Å; E40-F49 WeakPolarHBondContact CA-O 3.36Å; E40-L50 HydrophobicContact CB-CD2 4.36Å |
| 41 | A | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V28 K29 T48 F49 V51 | V28-A41 HydrophobicContact CB-CB 4.02Å; V28-A41 HydrophobicContact CG2-CB 3.6Å; K29-A41 CarbonylContact O-C 3.53Å; K29-A41 VanDerWaalsContact O-CA 3.25Å; K29-A41 WeakPolarHBondContact O-CA 3.49Å; A41-T48 WeakPolarHBondContact O-CA 3.46Å; A41-F49 PolarHBondContact N-O 3.47Å; A41-F49 PolarHBondContact O-N 2.83Å; A41-V51 HydrophobicContact CB-CG1 3.95Å; A41-V51 HydrophobicContact CB-CG2 4.17Å |
| 42 | V | 93.2 | Very high | 91.6 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 108.6 | V28 K29 T31 E47 T48 | V28-V42 WeakPolarHBondContact CA-O 3.3Å; V28-V42 WeakPolarHBondContact CB-O 3.44Å; K29-V42 PolarHBondContact N-O 3.25Å; K29-V42 PolarHBondContact O-N 3.07Å; T31-V42 VanDerWaalsContact OG1-CG2 3.24Å; T31-V42 WeakPolarHBondContact OG1-CG2 3.39Å; V42-E47 WeakPolarHBondContact CA-O 3.4Å; V42-T48 HydrophobicContact CG2-CG2 3.63Å |
| 43 | T | 92.2 | Very high | 91.6 | Very high | 9 Ų | 9 | 54.8 Ų | 54.8 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 161.4 | 172.8 | -49.9 | 0 | 0 | 0 | 0 | 111 | Q45 G46 E47 F49 | T43-Q45 HydrophobicContact CG2-CB 4.33Å; T43-Q45 HydrophobicContact CG2-CG 4.29Å; T43-Q45 PolarHBondContact O-N 3.44Å; T43-G46 PolarHBondContact O-N 2.87Å; T43-E47 PolarHBondContact N-O 3.01Å; T43-E47 PolarHBondContact OG1-O 3.03Å; T43-F49 WeakPolarHBondContact OG1-CE1 3.36Å |
| 44 | A | 87.7 | Confident | 91.7 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -19.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114 | P103 F106 | A44-P103 HydrophobicContact CB-CB 3.86Å; A44-F106 HydrophobicContact CB-CD2 4.39Å; A44-F106 HydrophobicContact CB-CE2 3.86Å; A44-F106 HydrophobicContact CB-CZ 4.17Å |
| 45 | Q | 86 | Confident | 91.7 | Very high | 161 Ų | 161 | 49.2 Ų | 49.2 | 75% | 0.752 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -2.6 | 175.6 | -57.3 | -59.8 | -42.3 | 0 | 0 | 113.6 | T43 | T43-Q45 HydrophobicContact CG2-CB 4.33Å; T43-Q45 HydrophobicContact CG2-CG 4.29Å; T43-Q45 PolarHBondContact O-N 3.44Å |
| 46 | G | 85.6 | Confident | 91.6 | Very high | 53 Ų | 53 | 50.3 Ų | 50.3 | 55% | 0.546 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 85.3 | 3.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T43 | T43-G46 PolarHBondContact O-N 2.87Š|
| 47 | E | 90.2 | Very high | 91.5 | Very high | 123 Ų | 123 | 43.6 Ų | 43.6 | 58% | 0.575 | 25% | 0.246 | S | C | * | . | trans | -76.1 | 128.4 | 177.4 | -64.3 | -172.5 | 176.9 | 0 | 0 | 112 | V42 T43 | V42-E47 WeakPolarHBondContact CA-O 3.4Å; T43-E47 PolarHBondContact N-O 3.01Å; T43-E47 PolarHBondContact OG1-O 3.03Å | ||
| 48 | T | 92.3 | Very high | 91.5 | Very high | 87 Ų | 87 | 44.5 Ų | 44.5 | 53% | 0.534 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132.6 | 175.9 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | A41 V42 | A41-T48 WeakPolarHBondContact O-CA 3.46Å; V42-T48 HydrophobicContact CG2-CG2 3.63Å |
| 49 | F | 93.6 | Very high | 91.2 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 167.2 | 174.4 | 61.7 | -79.7 | 0 | 0 | 0 | 112 | V28 E40 A41 T43 V51 V71 K81 A82 | V28-F49 HydrophobicContact CG1-CE1 4.1Å; V28-F49 HydrophobicContact CG1-CZ 3.82Å; E40-F49 WeakPolarHBondContact CA-O 3.36Å; A41-F49 PolarHBondContact N-O 3.47Å; A41-F49 PolarHBondContact O-N 2.83Å; T43-F49 WeakPolarHBondContact OG1-CE1 3.36Å; F49-V51 HydrophobicContact CD2-CG1 3.59Å; F49-V51 HydrophobicContact CE2-CG1 3.22Å; F49-V51 HydrophobicContact CZ-CG1 4.09Å; F49-V71 HydrophobicContact CZ-CG2 4.33Å; F49-K81 HydrophobicContact CB-CB 4.42Å; F49-K81 HydrophobicContact CB-CD 4.03Å; F49-K81 HydrophobicContact CB-CG 4.39Å; F49-K81 HydrophobicContact CD2-CB 3.92Å; F49-K81 HydrophobicContact CG-CB 4.46Å; F49-A82 HydrophobicContact CE2-CB 3.78Å |
| 50 | L | 93.7 | Very high | 90.9 | Very high | 38 Ų | 38 | 50.4 Ų | 50.4 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 137 | 176.7 | -59.1 | 176.9 | 0 | 0 | 0 | 111.1 | R34 H39 E40 K79 V80 K81 | R34-L50 HydrophobicContact CB-CD2 4.18Å; R34-L50 HydrophobicContact CG-CD2 3.72Å; H39-L50 CarbonylContact O-C 3.49Å; H39-L50 WeakPolarHBondContact O-CA 3.4Å; E40-L50 HydrophobicContact CB-CD2 4.36Å; L50-K79 WeakPolarHBondContact CB-O 3.4Å; L50-V80 HydrophobicContact CB-CG2 4.24Å; L50-V80 CarbonylContact O-C 3.58Å; L50-V80 WeakPolarHBondContact O-CA 3.33Å; L50-K81 PolarHBondContact O-N 2.89Å |
| 51 | V | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138.7 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | L38 H39 A41 F49 V71 A82 I84 | L38-V51 WeakPolarHBondContact CA-O 3.45Å; H39-V51 HydrophobicContact CB-CG2 3.79Å; H39-V51 PolarHBondContact N-O 3.1Å; H39-V51 WeakPolarHBondContact O-CG2 3.24Å; H39-V51 PolarHBondContact O-N 3.36Å; A41-V51 HydrophobicContact CB-CG1 3.95Å; A41-V51 HydrophobicContact CB-CG2 4.17Å; F49-V51 HydrophobicContact CD2-CG1 3.59Å; F49-V51 HydrophobicContact CE2-CG1 3.22Å; F49-V51 HydrophobicContact CZ-CG1 4.09Å; V51-V71 HydrophobicContact CB-CG1 4.45Å; V51-V71 HydrophobicContact CG1-CG1 4.06Å; V51-A82 CarbonylContact C-O 3.59Å; V51-A82 VanDerWaalsContact CA-O 3.27Å; V51-A82 WeakPolarHBondContact CA-O 3.48Å; V51-A82 HydrophobicContact CG1-CB 4.05Å; V51-I84 HydrophobicContact CB-CG1 4.18Å; V51-I84 HydrophobicContact CG2-CD1 3.81Å; V51-I84 HydrophobicContact CG2-CG1 3.76Å |
| 52 | S | 93.5 | Very high | 90.5 | Very high | 27 Ų | 27 | 58.5 Ų | 58.5 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 139.8 | 175.9 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | A82 E83 I84 | S52-A82 PolarHBondContact N-O 3.32Å; S52-E83 WeakPolarHBondContact O-CA 3.25Å; S52-I84 PolarHBondContact O-N 2.98Å |
| 53 | M | 92.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 126 | 172.9 | -165 | 163.2 | -173 | 0 | 0 | 111 | N37 F57 R58 I61 I63 I84 I87 | N37-M53 HydrophobicContact CB-CB 4.27Å; N37-M53 WeakPolarHBondContact O-CB 3.45Å; N37-M53 PolarHBondContact O-N 3.03Å; M53-F57 HydrophobicContact CE-CB 3.35Å; M53-F57 HydrophobicContact CE-CG 4.36Å; M53-F57 HydrophobicContact CG-CB 4.07Å; M53-F57 HydrophobicContact SD-CB 4.47Å; M53-R58 PolarHBondContact O-NE 3.02Å; M53-R58 PolarHBondContact O-NH2 2.85Å; M53-I61 HydrophobicContact CE-CB 4.33Å; M53-I61 WeakPolarHBondContact CE-O 3.36Å; M53-I63 HydrophobicContact CE-CD1 3.56Å; M53-I63 HydrophobicContact CE-CG1 3.91Å; M53-I63 HydrophobicContact SD-CD1 3.82Å; M53-I84 HydrophobicContact CB-CD1 4.33Å; M53-I84 HydrophobicContact CG-CD1 4.43Å; M53-I87 HydrophobicContact CE-CD1 3.97Å |
| 54 | P | 92.3 | Very high | 90.3 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 7% | 0.065 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 151 | 176.8 | -22.8 | 25.5 | 0 | 0 | 0 | 113 | K56 F57 R58 E83 I84 | P54-K56 HydrophobicContact CB-CG 3.73Å; P54-K56 PolarHBondContact O-N 3.2Å; P54-K56 VanDerWaalsContact O-N 3.1Å; P54-F57 HydrophobicContact CB-CD2 4.27Å; P54-F57 HydrophobicContact CG-CD2 3.95Å; P54-F57 HydrophobicContact CG-CE2 4.15Å; P54-F57 PolarHBondContact O-N 3.08Å; P54-R58 WeakPolarHBondContact O-CG 3.31Å; P54-R58 PolarHBondContact O-N 2.87Å; P54-E83 WeakPolarHBondContact CA-OE1 3.48Å; P54-E83 WeakPolarHBondContact CB-OE1 3.44Å; P54-E83 HydrophobicContact CG-CG 3.81Å; P54-E83 WeakPolarHBondContact CG-OE1 3.34Å; P54-I84 WeakPolarHBondContact CD-O 3.22Å; P54-I84 WeakPolarHBondContact CG-O 3.33Å |
| 55 | T | 90.8 | Very high | 90.5 | Very high | 102 Ų | 102 | 72.6 Ų | 72.6 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.3 | 179.3 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | F57 | T55-F57 VanDerWaalsContact C-N 3.3Å; T55-F57 PolarHBondContact O-N 2.85Å |
| 56 | K | 87.7 | Confident | 90.7 | Very high | 63 Ų | 63 | 65.6 Ų | 65.6 | 27% | 0.274 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -34.5 | 175 | 53.4 | 168.5 | 176.3 | 169.1 | 0 | 113.1 | P54 N60 S85 | P54-K56 HydrophobicContact CB-CG 3.73Å; P54-K56 PolarHBondContact O-N 3.2Å; P54-K56 VanDerWaalsContact O-N 3.1Å; K56-N60 PolarHBondContact O-ND2 2.85Å; K56-S85 PolarHBondContact NZ-O 3.03Å |
| 57 | F | 89.4 | Confident | 91 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -21.2 | -174.6 | -55.7 | -44.2 | 0 | 0 | 0 | 113.3 | V10 V14 M53 P54 T55 K59 N60 I61 S85 I87 | V10-F57 HydrophobicContact CG1-CD1 3.79Å; V10-F57 HydrophobicContact CG1-CE1 4.16Å; V14-F57 HydrophobicContact CG2-CD1 4.32Å; V14-F57 HydrophobicContact CG2-CE1 3.51Å; V14-F57 HydrophobicContact CG2-CZ 4.14Å; M53-F57 HydrophobicContact CE-CB 3.35Å; M53-F57 HydrophobicContact CE-CG 4.36Å; M53-F57 HydrophobicContact CG-CB 4.07Å; M53-F57 HydrophobicContact SD-CB 4.47Å; P54-F57 HydrophobicContact CB-CD2 4.27Å; P54-F57 HydrophobicContact CG-CD2 3.95Å; P54-F57 HydrophobicContact CG-CE2 4.15Å; P54-F57 PolarHBondContact O-N 3.08Å; T55-F57 VanDerWaalsContact C-N 3.3Å; T55-F57 PolarHBondContact O-N 2.85Å; F57-K59 PolarHBondContact O-N 2.93Å; F57-N60 PolarHBondContact O-N 2.82Å; F57-I61 HydrophobicContact CB-CD1 4.48Å; F57-I61 HydrophobicContact CD1-CD1 3.55Å; F57-I61 HydrophobicContact CD1-CG1 4.43Å; F57-I61 HydrophobicContact CE1-CD1 4.02Å; F57-I61 HydrophobicContact CG-CD1 4.26Å; F57-I61 PolarHBondContact O-N 2.79Å; F57-S85 VanDerWaalsContact CE2-O 3.28Å; F57-S85 WeakPolarHBondContact CE2-O 3.42Å; F57-S85 WeakPolarHBondContact CZ-O 2.77Å; F57-I87 HydrophobicContact CD2-CD1 4.21Å; F57-I87 HydrophobicContact CE2-CD1 4.5Å; F57-I87 HydrophobicContact CG-CD1 4.25Å |
| 58 | R | 90.3 | Very high | 91.2 | Very high | 84 Ų | 84 | 59.3 Ų | 59.3 | 32% | 0.317 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 126.7 | 178.3 | -64 | 179.5 | -165.7 | -179.7 | 3.1 | 110.6 | N37 M53 P54 N60 | N37-R58 HydrophobicContact CB-CG 4.33Å; N37-R58 WeakPolarHBondContact OD1-CD 3.13Å; M53-R58 PolarHBondContact O-NE 3.02Å; M53-R58 PolarHBondContact O-NH2 2.85Å; P54-R58 WeakPolarHBondContact O-CG 3.31Å; P54-R58 PolarHBondContact O-N 2.87Å; R58-N60 PolarHBondContact O-N 2.92Å |
| 59 | K | 87.1 | Confident | 91.2 | Very high | 159 Ų | 159 | 55.2 Ų | 55.2 | 69% | 0.691 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -1.3 | -178.4 | -47.1 | 176.9 | -179.2 | -178.7 | 0 | 115.6 | F57 W62 | F57-K59 PolarHBondContact O-N 2.93Å; K59-W62 WeakPolarHBondContact O-CH2 3.44Å |
| 60 | N | 88 | Confident | 91.1 | Very high | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -37 | -179.4 | -66.5 | -9.2 | 0 | 0 | 0 | 111.6 | R7 V10 K56 F57 R58 W62 | R7-N60 HydrophobicContact CG-CB 4.4Å; V10-N60 HydrophobicContact CG1-CB 4.28Å; K56-N60 PolarHBondContact O-ND2 2.85Å; F57-N60 PolarHBondContact O-N 2.82Å; R58-N60 PolarHBondContact O-N 2.92Å; N60-W62 WeakPolarHBondContact O-CZ3 3.47Å |
| 61 | I | 89.4 | Confident | 91 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | trans | -129.3 | 140 | -178.3 | -51 | 178.9 | 0 | 0 | 0 | 108.6 | V10 V14 M53 F57 I87 | V10-I61 HydrophobicContact CG1-CD1 3.97Å; V10-I61 HydrophobicContact CG1-CG1 4.36Å; V14-I61 HydrophobicContact CB-CD1 4.15Å; V14-I61 HydrophobicContact CG1-CD1 4.23Å; V14-I61 HydrophobicContact CG2-CD1 3.61Å; M53-I61 HydrophobicContact CE-CB 4.33Å; M53-I61 WeakPolarHBondContact CE-O 3.36Å; F57-I61 HydrophobicContact CB-CD1 4.48Å; F57-I61 HydrophobicContact CD1-CD1 3.55Å; F57-I61 HydrophobicContact CD1-CG1 4.43Å; F57-I61 HydrophobicContact CE1-CD1 4.02Å; F57-I61 HydrophobicContact CG-CD1 4.26Å; F57-I61 PolarHBondContact O-N 2.79Å; I61-I87 HydrophobicContact CB-CD1 4.03Å; I61-I87 HydrophobicContact CD1-CD1 3.94Å; I61-I87 HydrophobicContact CG2-CD1 3.55Å | ||
| 62 | W | 89.5 | Confident | 90.9 | Very high | 184 Ų | 184 | 54.8 Ų | 54.8 | 70% | 0.697 | 25% | 0.249 | S | C | * | . | trans | -113.1 | 132.6 | 176.1 | -72.8 | -101.6 | 0 | 0 | 0 | 108.9 | K59 N60 | K59-W62 WeakPolarHBondContact O-CH2 3.44Å; N60-W62 WeakPolarHBondContact O-CZ3 3.47Å | ||
| 63 | I | 91.4 | Very high | 90.8 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | trans | -109.4 | 130.5 | 178.7 | -58.1 | 170.3 | 0 | 0 | 0 | 107.2 | V30 M53 D67 V69 I84 I87 | V30-I63 HydrophobicContact CB-CG2 4.06Å; V30-I63 HydrophobicContact CG1-CG2 3.94Å; V30-I63 HydrophobicContact CG2-CG2 3.88Å; M53-I63 HydrophobicContact CE-CD1 3.56Å; M53-I63 HydrophobicContact CE-CG1 3.91Å; M53-I63 HydrophobicContact SD-CD1 3.82Å; I63-D67 HydrophobicContact CG2-CB 3.92Å; I63-V69 HydrophobicContact CD1-CG1 4.28Å; I63-I84 HydrophobicContact CD1-CD1 3.82Å; I63-I87 HydrophobicContact CD1-CD1 3.96Å; I63-I87 HydrophobicContact CD1-CG1 4.1Å; I63-I87 HydrophobicContact CG1-CD1 4.04Å; I63-I87 HydrophobicContact CG1-CG1 4.38Å | ||
| 64 | K | 91 | Very high | 90.7 | Very high | 151 Ų | 151 | 60.5 Ų | 60.5 | 66% | 0.657 | 28% | 0.281 | S | S | * | . | trans | -108.8 | 170.9 | 176.9 | 53.1 | 174.5 | 176.3 | 178.2 | 0 | 110.7 | G66 D67 | K64-G66 PolarHBondContact O-N 2.92Å; K64-D67 WeakPolarHBondContact CE-OD1 3.41Å; K64-D67 WeakPolarHBondContact CG-OD1 3.4Å; K64-D67 WeakPolarHBondContact CG-OD2 3.44Å; K64-D67 PolarHBondContact N-OD2 3.01Å; K64-D67 PolarHBondContact O-N 2.94Å | ||
| 65 | R | 92.4 | Very high | 90.1 | Very high | 196 Ų | 196 | 69.7 Ų | 69.7 | 74% | 0.74 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 133.9 | 173.4 | 175.4 | 173.2 | 179.6 | 179.6 | -0.7 | 109.7 | T31 | T31-R65 WeakPolarHBondContact O-CB 3.28Å; T31-R65 VanDerWaalsContact O-CD 3.23Å; T31-R65 WeakPolarHBondContact O-CD 3.49Å; T31-R65 WeakPolarHBondContact O-CG 3.21Å |
| 66 | G | 89.9 | Confident | 89.8 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -2.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V30 K64 | V30-G66 PolarHBondContact O-N 2.77Å; K64-G66 PolarHBondContact O-N 2.92Å |
| 67 | D | 92.5 | Very high | 89.2 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | trans | -75.1 | 151.2 | 172.3 | -69.6 | -15.6 | 0 | 0 | 0 | 110.8 | V30 I63 K64 | V30-D67 PolarHBondContact N-O 2.61Å; I63-D67 HydrophobicContact CG2-CB 3.92Å; K64-D67 WeakPolarHBondContact CE-OD1 3.41Å; K64-D67 WeakPolarHBondContact CG-OD1 3.4Å; K64-D67 WeakPolarHBondContact CG-OD2 3.44Å; K64-D67 PolarHBondContact N-OD2 3.01Å; K64-D67 PolarHBondContact O-N 2.94Å | ||
| 68 | Y | 92.4 | Very high | 88.7 | Confident | 11 Ų | 11 | 80.1 Ų | 80.1 | 4% | 0.043 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 140.9 | 177 | -63.1 | -87.9 | 0 | 0 | 0 | 110.1 | V28 K29 L88 I93 W102 F106 | V28-Y68 WeakPolarHBondContact O-CA 3.38Å; K29-Y68 HydrophobicContact CB-CD1 4.07Å; K29-Y68 HydrophobicContact CB-CE1 3.93Å; K29-Y68 HydrophobicContact CD-CE1 4.18Å; K29-Y68 HydrophobicContact CG-CD1 4.39Å; K29-Y68 HydrophobicContact CG-CE1 4.05Å; Y68-L88 WeakPolarHBondContact O-CB 3.37Å; Y68-L88 PolarHBondContact O-N 2.88Å; Y68-I93 HydrophobicContact CD2-CD1 3.54Å; Y68-I93 HydrophobicContact CE2-CD1 4.1Å; Y68-I93 HydrophobicContact CG-CD1 4.3Å; Y68-W102 AromaticContact CD1-CH2 3.67Å; Y68-W102 HydrophobicContact CD1-CH2 3.67Å; Y68-W102 AromaticContact CD1-CZ2 3.83Å; Y68-W102 HydrophobicContact CD1-CZ2 3.83Å; Y68-W102 HydrophobicContact CD2-CH2 4.06Å; Y68-W102 HydrophobicContact CD2-CZ2 4.35Å; Y68-W102 HydrophobicContact CE1-CH2 4.13Å; Y68-W102 AromaticContact CE1-CZ2 3.79Å; Y68-W102 HydrophobicContact CE1-CZ2 3.79Å; Y68-W102 HydrophobicContact CE2-CH2 4.49Å; Y68-W102 HydrophobicContact CE2-CZ2 4.32Å; Y68-W102 AromaticContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CZ2 4.1Å; Y68-F106 HydrophobicContact CD1-CD1 4.47Å; Y68-F106 HydrophobicContact CD1-CG 4.37Å; Y68-F106 HydrophobicContact CE1-CB 3.86Å; Y68-F106 AromaticContact CE1-CD1 3.66Å; Y68-F106 HydrophobicContact CE1-CD1 3.66Å; Y68-F106 HydrophobicContact CE1-CD2 4.31Å; Y68-F106 HydrophobicContact CE1-CE1 4.25Å; Y68-F106 AromaticContact CE1-CG 3.68Å; Y68-F106 HydrophobicContact CE1-CG 3.68Å |
| 69 | V | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.4 | -179.4 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | V28 V30 I63 V71 I84 F86 I87 | V28-V69 HydrophobicContact CG2-CG2 3.56Å; V28-V69 PolarHBondContact N-O 2.86Å; V28-V69 PolarHBondContact O-N 2.69Å; V30-V69 HydrophobicContact CG2-CG1 4Å; V30-V69 HydrophobicContact CG2-CG2 3.79Å; I63-V69 HydrophobicContact CD1-CG1 4.28Å; V69-V71 HydrophobicContact CG2-CG1 4.01Å; V69-I84 HydrophobicContact CB-CG2 4.06Å; V69-I84 HydrophobicContact CG1-CG2 4.25Å; V69-I84 HydrophobicContact CG2-CG1 4.35Å; V69-F86 WeakPolarHBondContact CA-O 3.44Å; V69-I87 HydrophobicContact CG1-CB 4.49Å; V69-I87 HydrophobicContact CG1-CG1 4.2Å; V69-I87 HydrophobicContact CG1-CG2 4.41Å |
| 70 | I | 92.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.3 | 168.9 | -60.3 | -180 | 0 | 0 | 0 | 107.5 | Q25 Q26 I27 I84 S85 F86 L88 | Q25-I70 HydrophobicContact CB-CG2 3.64Å; Q25-I70 HydrophobicContact CG-CG2 3.83Å; Q26-I70 WeakPolarHBondContact O-CA 3.4Å; I27-I70 HydrophobicContact CG1-CG1 4.26Å; I70-I84 CarbonylContact O-C 3.58Å; I70-S85 PolarHBondContact O-N 2.95Å; I70-F86 HydrophobicContact CB-CB 4.23Å; I70-F86 HydrophobicContact CD1-CB 4.37Å; I70-F86 PolarHBondContact N-O 3.03Å; I70-F86 PolarHBondContact O-N 2.81Å; I70-L88 HydrophobicContact CD1-CD1 4.43Å; I70-L88 HydrophobicContact CD1-CD2 4Å; I70-L88 HydrophobicContact CD1-CG 4.46Å; I70-L88 HydrophobicContact CG1-CD1 3.86Å; I70-L88 HydrophobicContact CG1-CD2 4.17Å; I70-L88 HydrophobicContact CG1-CG 4.07Å |
| 71 | V | 92.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.012 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.6 | 180 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | Q25 Q26 V28 F49 V51 V69 A82 E83 I84 | Q25-V71 WeakPolarHBondContact CA-O 3.44Å; Q26-V71 HydrophobicContact CB-CG2 4.13Å; Q26-V71 PolarHBondContact N-O 3.44Å; Q26-V71 WeakPolarHBondContact O-CG2 3.36Å; Q26-V71 PolarHBondContact O-N 3.46Å; V28-V71 HydrophobicContact CG1-CG2 3.92Å; V28-V71 HydrophobicContact CG2-CB 4.36Å; V28-V71 HydrophobicContact CG2-CG1 3.5Å; V28-V71 VanDerWaalsContact CG2-CG1 3.5Å; V28-V71 HydrophobicContact CG2-CG2 3.91Å; F49-V71 HydrophobicContact CZ-CG2 4.33Å; V51-V71 HydrophobicContact CB-CG1 4.45Å; V51-V71 HydrophobicContact CG1-CG1 4.06Å; V69-V71 HydrophobicContact CG2-CG1 4.01Å; V71-A82 HydrophobicContact CB-CB 3.83Å; V71-A82 HydrophobicContact CG2-CB 4.13Å; V71-E83 CarbonylContact C-O 3.59Å; V71-E83 VanDerWaalsContact CA-O 3.26Å; V71-E83 WeakPolarHBondContact CA-O 3.43Å; V71-I84 HydrophobicContact CG1-CG1 4.29Å |
| 72 | D | 92.3 | Very high | 89 | Confident | 54 Ų | 54 | 81.8 Ų | 81.8 | 29% | 0.289 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 114.7 | 169.1 | -71.8 | -45.6 | 0 | 0 | 0 | 107.9 | Q25 A82 E83 S85 | Q25-D72 WeakPolarHBondContact CG-OD1 3.34Å; Q25-D72 PolarHBondContact NE2-OD1 2.96Å; D72-A82 CarbonylContact O-C 3.57Å; D72-A82 VanDerWaalsContact O-CA 3.27Å; D72-A82 WeakPolarHBondContact O-CA 3.28Å; D72-A82 WeakPolarHBondContact O-CB 3.11Å; D72-E83 PolarHBondContact N-O 3.38Å; D72-E83 PolarHBondContact O-N 3.33Å; D72-S85 WeakPolarHBondContact OD2-CB 2.99Å; D72-S85 PolarHBondContact OD2-OG 2.85Å |
| 73 | P | 91 | Very high | 89.1 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 142.2 | -179 | 26.7 | -32.2 | 0 | 0 | 0 | 111.5 | N24 | N24-P73 WeakPolarHBondContact O-CD 3.33Å; N24-P73 VanDerWaalsContact O-CG 3.3Å; N24-P73 WeakPolarHBondContact O-CG 3.44Å |
| 74 | I | 89.3 | Confident | 89.2 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | trans | -115.9 | 109 | 178.1 | -58.7 | 170.9 | 0 | 0 | 0 | 107.6 | E76 G77 K81 E83 | I74-E76 HydrophobicContact CG2-CB 4.33Å; I74-E76 PolarHBondContact O-N 3.07Å; I74-G77 PolarHBondContact O-N 3.28Å; I74-K81 PolarHBondContact N-O 2.96Å; I74-E83 HydrophobicContact CD1-CB 4.01Å | ||
| 75 | E | 80.9 | Confident | 89.2 | Confident | 202 Ų | 202 | 69.4 Ų | 69.4 | 94% | 0.944 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.1 | -177.9 | -61.2 | -174.2 | 164 | 0 | 0 | 113.3 | G77 | E75-G77 VanDerWaalsContact C-N 3.34Š|
| 76 | E | 83.4 | Confident | 89 | Confident | 188 Ų | 188 | 62 Ų | 62 | 88% | 0.879 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -6.9 | -176.9 | -159.9 | 177.1 | 175.6 | 0 | 0 | 113.6 | I74 | I74-E76 HydrophobicContact CG2-CB 4.33Å; I74-E76 PolarHBondContact O-N 3.07Å |
| 77 | G | 76.4 | Confident | 89 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | trans | -85.3 | 116.2 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | I74 E75 V80 | I74-G77 PolarHBondContact O-N 3.28Å; E75-G77 VanDerWaalsContact C-N 3.34Å; G77-V80 VanDerWaalsContact CA-O 3.27Å; G77-V80 WeakPolarHBondContact CA-O 3.37Å | ||
| 78 | E | 79.1 | Confident | 88.9 | Confident | 175 Ų | 175 | 60.4 Ų | 60.4 | 82% | 0.818 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -70.1 | -57.8 | 175.7 | -172.5 | -176.1 | -165 | 0 | 0 | 111.9 | ||
| 79 | K | 84.9 | Confident | 88.8 | Confident | 162 Ų | 162 | 64.2 Ų | 64.2 | 70% | 0.704 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -99.1 | -34.8 | -179.1 | -67.1 | -176 | -179.1 | 177.4 | 0 | 113.3 | L50 | L50-K79 WeakPolarHBondContact CB-O 3.4Š|
| 80 | V | 90.9 | Very high | 88.6 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 104.6 | -179.4 | -178 | 0 | 0 | 0 | 0 | 107.4 | L38 L50 G77 | L38-V80 HydrophobicContact CD1-CG2 4.27Å; L38-V80 HydrophobicContact CD2-CG1 4.27Å; L38-V80 HydrophobicContact CD2-CG2 3.77Å; L50-V80 HydrophobicContact CB-CG2 4.24Å; L50-V80 CarbonylContact O-C 3.58Å; L50-V80 WeakPolarHBondContact O-CA 3.33Å; G77-V80 VanDerWaalsContact CA-O 3.27Å; G77-V80 WeakPolarHBondContact CA-O 3.37Å |
| 81 | K | 90.8 | Very high | 88.4 | Confident | 107 Ų | 107 | 76.6 Ų | 76.6 | 47% | 0.465 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -11.4 | -169.9 | -64.7 | -172.4 | 176.8 | -177.9 | 0 | 114 | F49 L50 I74 | F49-K81 HydrophobicContact CB-CB 4.42Å; F49-K81 HydrophobicContact CB-CD 4.03Å; F49-K81 HydrophobicContact CB-CG 4.39Å; F49-K81 HydrophobicContact CD2-CB 3.92Å; F49-K81 HydrophobicContact CG-CB 4.46Å; L50-K81 PolarHBondContact O-N 2.89Å; I74-K81 PolarHBondContact N-O 2.96Å |
| 82 | A | 92.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.008 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 164.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | F49 V51 S52 V71 D72 | F49-A82 HydrophobicContact CE2-CB 3.78Å; V51-A82 CarbonylContact C-O 3.59Å; V51-A82 VanDerWaalsContact CA-O 3.27Å; V51-A82 WeakPolarHBondContact CA-O 3.48Å; V51-A82 HydrophobicContact CG1-CB 4.05Å; S52-A82 PolarHBondContact N-O 3.32Å; V71-A82 HydrophobicContact CB-CB 3.83Å; V71-A82 HydrophobicContact CG2-CB 4.13Å; D72-A82 CarbonylContact O-C 3.57Å; D72-A82 VanDerWaalsContact O-CA 3.27Å; D72-A82 WeakPolarHBondContact O-CA 3.28Å; D72-A82 WeakPolarHBondContact O-CB 3.11Å |
| 83 | E | 92.8 | Very high | 87.8 | Confident | 78 Ų | 78 | 75 Ų | 75 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.3 | 170.5 | 178.7 | 167.3 | -156.4 | 0 | 0 | 110.8 | S52 P54 V71 D72 I74 S85 | S52-E83 WeakPolarHBondContact O-CA 3.25Å; P54-E83 WeakPolarHBondContact CA-OE1 3.48Å; P54-E83 WeakPolarHBondContact CB-OE1 3.44Å; P54-E83 HydrophobicContact CG-CG 3.81Å; P54-E83 WeakPolarHBondContact CG-OE1 3.34Å; V71-E83 CarbonylContact C-O 3.59Å; V71-E83 VanDerWaalsContact CA-O 3.26Å; V71-E83 WeakPolarHBondContact CA-O 3.43Å; D72-E83 PolarHBondContact N-O 3.38Å; D72-E83 PolarHBondContact O-N 3.33Å; I74-E83 HydrophobicContact CD1-CB 4.01Å; E83-S85 PolarHBondContact O-N 3.08Å |
| 84 | I | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 112.4 | 179.2 | -62.9 | 168.3 | 0 | 0 | 0 | 109.8 | V51 S52 M53 P54 I63 V69 I70 V71 I87 | V51-I84 HydrophobicContact CB-CG1 4.18Å; V51-I84 HydrophobicContact CG2-CD1 3.81Å; V51-I84 HydrophobicContact CG2-CG1 3.76Å; S52-I84 PolarHBondContact O-N 2.98Å; M53-I84 HydrophobicContact CB-CD1 4.33Å; M53-I84 HydrophobicContact CG-CD1 4.43Å; P54-I84 WeakPolarHBondContact CD-O 3.22Å; P54-I84 WeakPolarHBondContact CG-O 3.33Å; I63-I84 HydrophobicContact CD1-CD1 3.82Å; V69-I84 HydrophobicContact CB-CG2 4.06Å; V69-I84 HydrophobicContact CG1-CG2 4.25Å; V69-I84 HydrophobicContact CG2-CG1 4.35Å; I70-I84 CarbonylContact O-C 3.58Å; V71-I84 HydrophobicContact CG1-CG1 4.29Å; I84-I87 HydrophobicContact CG2-CG1 4.16Å |
| 85 | S | 90.1 | Very high | 87.5 | Confident | 18 Ų | 18 | 76.7 Ų | 76.7 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -45.8 | 176.6 | -146.5 | 0 | 0 | 0 | 0 | 111.9 | Q25 K56 F57 I70 D72 E83 | Q25-S85 PolarHBondContact NE2-OG 2.85Å; K56-S85 PolarHBondContact NZ-O 3.03Å; F57-S85 VanDerWaalsContact CE2-O 3.28Å; F57-S85 WeakPolarHBondContact CE2-O 3.42Å; F57-S85 WeakPolarHBondContact CZ-O 2.77Å; I70-S85 PolarHBondContact O-N 2.95Å; D72-S85 WeakPolarHBondContact OD2-CB 2.99Å; D72-S85 PolarHBondContact OD2-OG 2.85Å; E83-S85 PolarHBondContact O-N 3.08Å |
| 86 | F | 89.3 | Confident | 87.8 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 18% | 0.18 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 153.3 | -174.4 | -80.4 | -80.4 | 0 | 0 | 0 | 112.9 | I19 V69 I70 | I19-F86 HydrophobicContact CD1-CD1 3.26Å; I19-F86 HydrophobicContact CD1-CD2 3.81Å; I19-F86 HydrophobicContact CD1-CE1 3.11Å; I19-F86 HydrophobicContact CD1-CE2 3.67Å; I19-F86 HydrophobicContact CD1-CG 3.61Å; I19-F86 HydrophobicContact CD1-CZ 3.32Å; I19-F86 HydrophobicContact CG1-CE1 4.39Å; I19-F86 HydrophobicContact CG1-CE2 4.39Å; I19-F86 HydrophobicContact CG1-CZ 4.22Å; V69-F86 WeakPolarHBondContact CA-O 3.44Å; I70-F86 HydrophobicContact CB-CB 4.23Å; I70-F86 HydrophobicContact CD1-CB 4.37Å; I70-F86 PolarHBondContact N-O 3.03Å; I70-F86 PolarHBondContact O-N 2.81Å |
| 87 | I | 90.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.5 | -179.8 | -59.2 | 161.1 | 0 | 0 | 0 | 107.4 | V14 M53 F57 I61 I63 V69 I84 | V14-I87 HydrophobicContact CG1-CB 4.33Å; M53-I87 HydrophobicContact CE-CD1 3.97Å; F57-I87 HydrophobicContact CD2-CD1 4.21Å; F57-I87 HydrophobicContact CE2-CD1 4.5Å; F57-I87 HydrophobicContact CG-CD1 4.25Å; I61-I87 HydrophobicContact CB-CD1 4.03Å; I61-I87 HydrophobicContact CD1-CD1 3.94Å; I61-I87 HydrophobicContact CG2-CD1 3.55Å; I63-I87 HydrophobicContact CD1-CD1 3.96Å; I63-I87 HydrophobicContact CD1-CG1 4.1Å; I63-I87 HydrophobicContact CG1-CD1 4.04Å; I63-I87 HydrophobicContact CG1-CG1 4.38Å; V69-I87 HydrophobicContact CG1-CB 4.49Å; V69-I87 HydrophobicContact CG1-CG1 4.2Å; V69-I87 HydrophobicContact CG1-CG2 4.41Å; I84-I87 HydrophobicContact CG2-CG1 4.16Å |
| 88 | L | 90.1 | Very high | 88.3 | Confident | 11 Ų | 11 | 68.2 Ų | 68.2 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126 | -174.1 | -63.1 | 171.9 | 0 | 0 | 0 | 110.6 | I27 Y68 I70 H92 I93 L96 W102 | I27-L88 HydrophobicContact CG1-CD1 4.31Å; I27-L88 HydrophobicContact CG2-CD1 4.16Å; Y68-L88 WeakPolarHBondContact O-CB 3.37Å; Y68-L88 PolarHBondContact O-N 2.88Å; I70-L88 HydrophobicContact CD1-CD1 4.43Å; I70-L88 HydrophobicContact CD1-CD2 4Å; I70-L88 HydrophobicContact CD1-CG 4.46Å; I70-L88 HydrophobicContact CG1-CD1 3.86Å; I70-L88 HydrophobicContact CG1-CD2 4.17Å; I70-L88 HydrophobicContact CG1-CG 4.07Å; L88-H92 HydrophobicContact CB-CB 4.47Å; L88-H92 HydrophobicContact CD2-CB 3.77Å; L88-I93 HydrophobicContact CB-CG1 4.39Å; L88-L96 HydrophobicContact CD1-CD1 4.01Å; L88-L96 HydrophobicContact CD2-CD1 3.95Å; L88-W102 HydrophobicContact CD1-CZ3 4.06Å |
| 89 | Y | 89.7 | Confident | 88.5 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 35% | 0.353 | 30% | 0.295 | S | S | . | . | trans | -96.6 | 171.3 | 170 | -65.6 | -68.7 | 0 | 0 | 0 | 110.9 | V14 L15 D91 H92 I93 | V14-Y89 HydrophobicContact CG1-CD2 4.37Å; V14-Y89 HydrophobicContact CG1-CE2 3.63Å; L15-Y89 HydrophobicContact CD2-CD2 3.8Å; L15-Y89 HydrophobicContact CD2-CE2 3.62Å; L15-Y89 HydrophobicContact CG-CE2 4.4Å; Y89-D91 PolarHBondContact O-N 3.18Å; Y89-H92 AromaticContact CD2-CE1 3.79Å; Y89-H92 PolarHBondContact N-ND1 3.08Å; Y89-H92 WeakPolarHBondContact O-CB 3.26Å; Y89-H92 PolarHBondContact O-N 2.79Å; Y89-I93 WeakPolarHBondContact O-CG1 2.9Å; Y89-I93 PolarHBondContact O-N 2.9Å | ||
| 90 | K | 87.4 | Confident | 88.2 | Confident | 157 Ų | 157 | 65.5 Ų | 65.5 | 68% | 0.683 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -50.6 | -42.6 | 179.9 | -63 | -172.6 | 177.3 | -168.7 | 0 | 112.5 | H92 I93 Q94 | K90-H92 VanDerWaalsContact C-N 3.35Å; K90-H92 PolarHBondContact O-N 3.4Å; K90-I93 PolarHBondContact O-N 3.24Å; K90-Q94 WeakPolarHBondContact O-CG 3.39Å; K90-Q94 PolarHBondContact O-N 3.14Å |
| 91 | D | 87.8 | Confident | 87.7 | Confident | 104 Ų | 104 | 67.4 Ų | 67.4 | 56% | 0.556 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.1 | -38.4 | -179.3 | -58.7 | -7.7 | 0 | 0 | 0 | 112.1 | F18 Y89 Y95 | F18-D91 HydrophobicContact CE1-CB 4.49Å; Y89-D91 PolarHBondContact O-N 3.18Å; D91-Y95 WeakPolarHBondContact O-CB 3.41Å; D91-Y95 PolarHBondContact O-N 3.43Å |
| 92 | H | 86.9 | Confident | 87.4 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 6% | 0.06 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 175.6 | -52.2 | 155.9 | 0 | 0 | 0 | 111.4 | V14 F18 L88 Y89 K90 Y95 L96 | V14-H92 PolarHBondContact O-CE1 2.95Å; F18-H92 AromaticContact CD1-CD2 3.74Å; F18-H92 AromaticContact CE1-CD2 3.77Å; L88-H92 HydrophobicContact CB-CB 4.47Å; L88-H92 HydrophobicContact CD2-CB 3.77Å; Y89-H92 AromaticContact CD2-CE1 3.79Å; Y89-H92 PolarHBondContact N-ND1 3.08Å; Y89-H92 WeakPolarHBondContact O-CB 3.26Å; Y89-H92 PolarHBondContact O-N 2.79Å; K90-H92 VanDerWaalsContact C-N 3.35Å; K90-H92 PolarHBondContact O-N 3.4Å; H92-Y95 PolarHBondContact O-N 3.47Å; H92-L96 WeakPolarHBondContact O-CB 3.34Å; H92-L96 VanDerWaalsContact O-CG 3.3Å; H92-L96 WeakPolarHBondContact O-CG 3.33Å; H92-L96 PolarHBondContact O-N 3.25Å |
| 93 | I | 87.2 | Confident | 86.9 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 177.3 | -61.2 | 168.8 | 0 | 0 | 0 | 109.6 | Y68 L88 Y89 K90 Y95 L96 Q97 W102 | Y68-I93 HydrophobicContact CD2-CD1 3.54Å; Y68-I93 HydrophobicContact CE2-CD1 4.1Å; Y68-I93 HydrophobicContact CG-CD1 4.3Å; L88-I93 HydrophobicContact CB-CG1 4.39Å; Y89-I93 WeakPolarHBondContact O-CG1 2.9Å; Y89-I93 PolarHBondContact O-N 2.9Å; K90-I93 PolarHBondContact O-N 3.24Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 3.38Å; I93-L96 PolarHBondContact O-N 3.35Å; I93-Q97 HydrophobicContact CG2-CG 4.35Å; I93-Q97 WeakPolarHBondContact O-CB 3.27Å; I93-Q97 VanDerWaalsContact O-CG 3.26Å; I93-Q97 WeakPolarHBondContact O-CG 3.46Å; I93-Q97 PolarHBondContact O-N 2.9Å; I93-W102 HydrophobicContact CB-CH2 4.24Å; I93-W102 HydrophobicContact CB-CZ3 4.19Å; I93-W102 HydrophobicContact CD1-CH2 4.07Å; I93-W102 HydrophobicContact CG1-CH2 3.64Å; I93-W102 HydrophobicContact CG1-CZ2 4.43Å; I93-W102 HydrophobicContact CG1-CZ3 3.79Å; I93-W102 HydrophobicContact CG2-CD2 4.14Å; I93-W102 HydrophobicContact CG2-CE3 4.08Å; I93-W102 HydrophobicContact CG2-CH2 3.76Å; I93-W102 HydrophobicContact CG2-CZ2 3.81Å; I93-W102 HydrophobicContact CG2-CZ3 3.9Å |
| 94 | Q | 87 | Confident | 86 | Confident | 105 Ų | 105 | 68.9 Ų | 68.9 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 175.6 | -70.2 | 176.8 | 12.5 | 0 | 0 | 112.2 | K90 K98 | K90-Q94 WeakPolarHBondContact O-CG 3.39Å; K90-Q94 PolarHBondContact O-N 3.14Å; Q94-K98 WeakPolarHBondContact O-CG 2.91Å; Q94-K98 PolarHBondContact O-N 3.07Å |
| 95 | Y | 86.8 | Confident | 85 | Confident | 82 Ų | 82 | 70.9 Ų | 70.9 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 175.2 | -180 | -100.5 | 0 | 0 | 0 | 111.8 | F18 D91 H92 I93 Q97 K98 Q99 | F18-Y95 HydrophobicContact CB-CD1 4.17Å; F18-Y95 HydrophobicContact CB-CE1 4.15Å; F18-Y95 HydrophobicContact CD1-CD1 4.38Å; F18-Y95 HydrophobicContact CD1-CG 4.08Å; D91-Y95 WeakPolarHBondContact O-CB 3.41Å; D91-Y95 PolarHBondContact O-N 3.43Å; H92-Y95 PolarHBondContact O-N 3.47Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 3.38Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 3.08Å; Y95-K98 WeakPolarHBondContact O-CB 3.34Å; Y95-K98 PolarHBondContact O-N 3.48Å; Y95-Q99 HydrophobicContact CD1-CG 4.36Å; Y95-Q99 HydrophobicContact CE1-CG 3.98Å; Y95-Q99 HydrophobicContact CE2-CG 4.38Å; Y95-Q99 WeakPolarHBondContact O-CG 3.27Å; Y95-Q99 PolarHBondContact O-N 3.06Å |
| 96 | L | 85.8 | Confident | 84.4 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64 | -36.7 | 178.4 | -72.1 | 166.5 | 0 | 0 | 0 | 112.5 | P21 I27 L88 H92 I93 Q99 Q100 L101 W102 | P21-L96 HydrophobicContact CG-CD2 4.38Å; I27-L96 HydrophobicContact CD1-CD1 4.23Å; L88-L96 HydrophobicContact CD1-CD1 4.01Å; L88-L96 HydrophobicContact CD2-CD1 3.95Å; H92-L96 WeakPolarHBondContact O-CB 3.34Å; H92-L96 VanDerWaalsContact O-CG 3.3Å; H92-L96 WeakPolarHBondContact O-CG 3.33Å; H92-L96 PolarHBondContact O-N 3.25Å; I93-L96 PolarHBondContact O-N 3.35Å; L96-Q99 CarbonylContact O-C 3.57Å; L96-Q99 PolarHBondContact O-N 3.21Å; L96-Q100 PolarHBondContact O-N 3.38Å; L96-Q100 VanDerWaalsContact O-N 3.1Å; L96-L101 HydrophobicContact CD2-CB 4.31Å; L96-L101 PolarHBondContact O-N 3.02Å; L96-L101 VanDerWaalsContact O-N 3.08Å; L96-W102 HydrophobicContact CB-CE3 4.02Å; L96-W102 HydrophobicContact CD1-CE3 4.08Å; L96-W102 HydrophobicContact CD1-CZ3 4.11Å |
| 97 | Q | 85.3 | Confident | 83.4 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 173.2 | -75.7 | 173.4 | -8.9 | 0 | 0 | 111.6 | I93 Y95 Q99 Q100 W102 | I93-Q97 HydrophobicContact CG2-CG 4.35Å; I93-Q97 WeakPolarHBondContact O-CB 3.27Å; I93-Q97 VanDerWaalsContact O-CG 3.26Å; I93-Q97 WeakPolarHBondContact O-CG 3.46Å; I93-Q97 PolarHBondContact O-N 2.9Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 3.08Å; Q97-Q99 VanDerWaalsContact C-N 3.25Å; Q97-Q99 PolarHBondContact O-N 3.01Å; Q97-Q100 PolarHBondContact O-N 3.05Å; Q97-Q100 VanDerWaalsContact O-N 3.08Å; Q97-W102 HydrophobicContact CG-CB 3.89Å; Q97-W102 HydrophobicContact CG-CD2 4.41Å; Q97-W102 HydrophobicContact CG-CG 3.85Å |
| 98 | K | 86 | Confident | 81.9 | Confident | 168 Ų | 168 | 80.9 Ų | 80.9 | 73% | 0.73 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.9 | -33.9 | 174.5 | -73.3 | 173 | -177.5 | 175.6 | 0 | 112.4 | Q94 Y95 Q100 | Q94-K98 WeakPolarHBondContact O-CG 2.91Å; Q94-K98 PolarHBondContact O-N 3.07Å; Y95-K98 WeakPolarHBondContact O-CB 3.34Å; Y95-K98 PolarHBondContact O-N 3.48Å; K98-Q100 VanDerWaalsContact C-N 3.3Å |
| 99 | Q | 83.4 | Confident | 80.4 | Confident | 102 Ų | 102 | 84.4 Ų | 84.4 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.5 | 176.7 | -61.7 | -63.1 | -27.2 | 0 | 0 | 113.5 | Y95 L96 Q97 L101 | Y95-Q99 HydrophobicContact CD1-CG 4.36Å; Y95-Q99 HydrophobicContact CE1-CG 3.98Å; Y95-Q99 HydrophobicContact CE2-CG 4.38Å; Y95-Q99 WeakPolarHBondContact O-CG 3.27Å; Y95-Q99 PolarHBondContact O-N 3.06Å; L96-Q99 CarbonylContact O-C 3.57Å; L96-Q99 PolarHBondContact O-N 3.21Å; Q97-Q99 VanDerWaalsContact C-N 3.25Å; Q97-Q99 PolarHBondContact O-N 3.01Å; Q99-L101 HydrophobicContact CB-CD1 4.25Å; Q99-L101 HydrophobicContact CB-CG 4.32Å; Q99-L101 PolarHBondContact O-N 3.26Å |
| 100 | Q | 78.6 | Confident | 78.9 | Confident | 177 Ų | 177 | 83.2 Ų | 83.2 | 83% | 0.827 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 23.1 | -176.1 | -60.9 | -177.8 | -16.9 | 0 | 0 | 115.1 | L96 Q97 K98 | L96-Q100 PolarHBondContact O-N 3.38Å; L96-Q100 VanDerWaalsContact O-N 3.1Å; Q97-Q100 PolarHBondContact O-N 3.05Å; Q97-Q100 VanDerWaalsContact O-N 3.08Å; K98-Q100 VanDerWaalsContact C-N 3.3Å |
| 101 | L | 80.5 | Confident | 77.2 | Confident | 80 Ų | 80 | 79.6 Ų | 79.6 | 42% | 0.419 | 40% | 0.395 | S | S | . | . | trans | -97.1 | 7.5 | 177.5 | -64.8 | 173.2 | 0 | 0 | 0 | 112.7 | T20 L96 Q99 | T20-L101 HydrophobicContact CG2-CD1 3.34Å; L96-L101 HydrophobicContact CD2-CB 4.31Å; L96-L101 PolarHBondContact O-N 3.02Å; L96-L101 VanDerWaalsContact O-N 3.08Å; Q99-L101 HydrophobicContact CB-CD1 4.25Å; Q99-L101 HydrophobicContact CB-CG 4.32Å; Q99-L101 PolarHBondContact O-N 3.26Å | ||
| 102 | W | 84.7 | Confident | 75.5 | Confident | 18 Ų | 18 | 78.3 Ų | 78.3 | 7% | 0.068 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -84.9 | 130.5 | 179.9 | -169.5 | -101.3 | 0 | 0 | 0 | 110.9 | I27 Y68 L88 I93 L96 Q97 E104 F106 | I27-W102 HydrophobicContact CD1-CE3 4.17Å; I27-W102 HydrophobicContact CD1-CZ3 4.31Å; I27-W102 HydrophobicContact CG2-CH2 4.15Å; I27-W102 HydrophobicContact CG2-CZ3 4.04Å; Y68-W102 AromaticContact CD1-CH2 3.67Å; Y68-W102 HydrophobicContact CD1-CH2 3.67Å; Y68-W102 AromaticContact CD1-CZ2 3.83Å; Y68-W102 HydrophobicContact CD1-CZ2 3.83Å; Y68-W102 HydrophobicContact CD2-CH2 4.06Å; Y68-W102 HydrophobicContact CD2-CZ2 4.35Å; Y68-W102 HydrophobicContact CE1-CH2 4.13Å; Y68-W102 AromaticContact CE1-CZ2 3.79Å; Y68-W102 HydrophobicContact CE1-CZ2 3.79Å; Y68-W102 HydrophobicContact CE2-CH2 4.49Å; Y68-W102 HydrophobicContact CE2-CZ2 4.32Å; Y68-W102 AromaticContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CZ2 4.1Å; L88-W102 HydrophobicContact CD1-CZ3 4.06Å; I93-W102 HydrophobicContact CB-CH2 4.24Å; I93-W102 HydrophobicContact CB-CZ3 4.19Å; I93-W102 HydrophobicContact CD1-CH2 4.07Å; I93-W102 HydrophobicContact CG1-CH2 3.64Å; I93-W102 HydrophobicContact CG1-CZ2 4.43Å; I93-W102 HydrophobicContact CG1-CZ3 3.79Å; I93-W102 HydrophobicContact CG2-CD2 4.14Å; I93-W102 HydrophobicContact CG2-CE3 4.08Å; I93-W102 HydrophobicContact CG2-CH2 3.76Å; I93-W102 HydrophobicContact CG2-CZ2 3.81Å; I93-W102 HydrophobicContact CG2-CZ3 3.9Å; L96-W102 HydrophobicContact CB-CE3 4.02Å; L96-W102 HydrophobicContact CD1-CE3 4.08Å; L96-W102 HydrophobicContact CD1-CZ3 4.11Å; Q97-W102 HydrophobicContact CG-CB 3.89Å; Q97-W102 HydrophobicContact CG-CD2 4.41Å; Q97-W102 HydrophobicContact CG-CG 3.85Å; W102-E104 PolarHBondContact O-N 3.36Å; W102-F106 HydrophobicContact CZ2-CB 3.89Å |
| 103 | P | 81 | Confident | 73.9 | Confident | 33 Ų | 33 | 82 Ų | 82 | 21% | 0.214 | 41% | 0.412 | C | S | . | . | trans | -67.3 | 132 | -179.9 | -13.9 | 26.8 | 0 | 0 | 0 | 111.4 | I27 A44 G105 F106 | I27-P103 HydrophobicContact CB-CG 3.99Å; I27-P103 HydrophobicContact CD1-CG 4.27Å; I27-P103 HydrophobicContact CG2-CG 4.36Å; A44-P103 HydrophobicContact CB-CB 3.86Å; P103-G105 VanDerWaalsContact C-N 3.26Å; P103-G105 PolarHBondContact O-N 3.44Å; P103-F106 HydrophobicContact CB-CD2 3.75Å; P103-F106 HydrophobicContact CB-CE2 4.15Å; P103-F106 HydrophobicContact CG-CD2 3.7Å; P103-F106 HydrophobicContact CG-CE2 3.96Å; P103-F106 PolarHBondContact O-N 3.46Å; P103-F106 VanDerWaalsContact O-N 3.07Å | ||
| 104 | E | 74.4 | Confident | 72.1 | Confident | 166 Ų | 166 | 87.3 Ų | 87.3 | 78% | 0.776 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -58.6 | -36.4 | -177.9 | -170.3 | 172.2 | -167.5 | 0 | 0 | 112.7 | W102 F106 M107 | W102-E104 PolarHBondContact O-N 3.36Å; E104-F106 PolarHBondContact O-N 2.93Å; E104-M107 WeakPolarHBondContact O-CB 3.27Å; E104-M107 PolarHBondContact O-N 2.74Å |
| 105 | G | 73.2 | Confident | 70.2 | Confident | 41 Ų | 41 | 89.9 Ų | 89.9 | 42% | 0.423 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -59.3 | -15.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P103 | P103-G105 VanDerWaalsContact C-N 3.26Å; P103-G105 PolarHBondContact O-N 3.44Å |
| 106 | F | 77.3 | Confident | 67.9 | Low | 4 Ų | 4 | 91.4 Ų | 91.4 | 2% | 0.018 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -101.4 | -10.3 | 174.8 | -61.7 | -55.1 | 0 | 0 | 0 | 114 | I27 K29 A44 Y68 W102 P103 E104 | I27-F106 HydrophobicContact CG2-CD2 4.36Å; I27-F106 HydrophobicContact CG2-CE2 4.18Å; I27-F106 WeakPolarHBondContact O-CE2 3.3Å; K29-F106 HydrophobicContact CB-CD1 4.22Å; K29-F106 HydrophobicContact CB-CE1 3.59Å; K29-F106 HydrophobicContact CB-CZ 4.19Å; A44-F106 HydrophobicContact CB-CD2 4.39Å; A44-F106 HydrophobicContact CB-CE2 3.86Å; A44-F106 HydrophobicContact CB-CZ 4.17Å; Y68-F106 HydrophobicContact CD1-CD1 4.47Å; Y68-F106 HydrophobicContact CD1-CG 4.37Å; Y68-F106 HydrophobicContact CE1-CB 3.86Å; Y68-F106 AromaticContact CE1-CD1 3.66Å; Y68-F106 HydrophobicContact CE1-CD1 3.66Å; Y68-F106 HydrophobicContact CE1-CD2 4.31Å; Y68-F106 HydrophobicContact CE1-CE1 4.25Å; Y68-F106 AromaticContact CE1-CG 3.68Å; Y68-F106 HydrophobicContact CE1-CG 3.68Å; W102-F106 HydrophobicContact CZ2-CB 3.89Å; P103-F106 HydrophobicContact CB-CD2 3.75Å; P103-F106 HydrophobicContact CB-CE2 4.15Å; P103-F106 HydrophobicContact CG-CD2 3.7Å; P103-F106 HydrophobicContact CG-CE2 3.96Å; P103-F106 PolarHBondContact O-N 3.46Å; P103-F106 VanDerWaalsContact O-N 3.07Å; E104-F106 PolarHBondContact O-N 2.93Å |
| 107 | M | 67.1 | Low | 65.8 | Low | 110 Ų | 110 | 96.6 Ų | 96.6 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.8 | -37.3 | 177.9 | -66.9 | -179.3 | 62.5 | 0 | 0 | 111.6 | E104 | E104-M107 WeakPolarHBondContact O-CB 3.27Å; E104-M107 PolarHBondContact O-N 2.74Å |
| 108 | E | 60.6 | Low | 63.8 | Low | 159 Ų | 159 | 98 Ų | 98 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.2 | -38.3 | -175 | -155.2 | 169.1 | -160.6 | 0 | 0 | 112.2 | Q110 S111 | E108-Q110 PolarHBondContact O-N 2.9Å; E108-S111 PolarHBondContact O-N 2.99Å; E108-S111 PolarHBondContact O-OG 3.3Å |
| 109 | E | 58.1 | Low | 61.5 | Low | 84 Ų | 84 | 98.7 Ų | 98.7 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.8 | -29.3 | 178.9 | -87 | -170.3 | 119.8 | 0 | 0 | 114.2 | K29 S111 S112 Q113 | K29-E109 VanDerWaalsContact CD-OE2 3.27Å; K29-E109 WeakPolarHBondContact CD-OE2 3.41Å; K29-E109 IonicContact NZ-OE1 2.71Å; K29-E109 PolarHBondContact NZ-OE1 3.26Å; K29-E109 IonicContact NZ-OE2 2.76Å; K29-E109 PolarHBondContact NZ-OE2 3.43Å; E109-S111 PolarHBondContact O-N 2.88Å; E109-S112 PolarHBondContact O-N 2.9Å; E109-S112 VanDerWaalsContact O-N 3.1Å; E109-Q113 PolarHBondContact O-N 2.81Å |
| 110 | Q | 57.4 | Low | 59.4 | Low | 65 Ų | 65 | 102.8 Ų | 102.8 | 30% | 0.304 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -33.5 | 179.9 | -68.4 | -156.1 | -47.4 | 0 | 0 | 111.9 | E108 S112 | E108-Q110 PolarHBondContact O-N 2.9Å; Q110-S112 PolarHBondContact O-N 3.33Å |
| 111 | S | 52.5 | Low | 57.8 | Low | 81 Ų | 81 | 103 Ų | 103 | 57% | 0.566 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.7 | -23.4 | 177.4 | 73.7 | 0 | 0 | 0 | 0 | 113.8 | E108 E109 | E108-S111 PolarHBondContact O-N 2.99Å; E108-S111 PolarHBondContact O-OG 3.3Å; E109-S111 PolarHBondContact O-N 2.88Å |
| 112 | S | 52.2 | Low | 56 | Low | 78 Ų | 78 | 109 Ų | 109 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -97.7 | -29.1 | -174 | -63 | 0 | 0 | 0 | 0 | 113.2 | E109 Q110 | E109-S112 PolarHBondContact O-N 2.9Å; E109-S112 VanDerWaalsContact O-N 3.1Å; Q110-S112 PolarHBondContact O-N 3.33Å |
| 113 | Q | 52.4 | Low | 53.8 | Low | 91 Ų | 91 | 112 Ų | 112 | 43% | 0.425 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -82.2 | -22 | -177.8 | -83.8 | -176.3 | -77.5 | 0 | 0 | 114.5 | E109 K115 | E109-Q113 PolarHBondContact O-N 2.81Å; Q113-K115 PolarHBondContact O-N 2.87Å |
| 114 | D | 50.5 | Low | 51.8 | Low | 121 Ų | 121 | 119.8 Ų | 119.8 | 65% | 0.647 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -10.2 | 175.9 | -95.6 | -41.1 | 0 | 0 | 0 | 113.7 | S118 | D114-S118 PolarHBondContact O-OG 3.08Š|
| 115 | K | 45.6 | Very low | 49.9 | Very low | 160 Ų | 160 | 115.2 Ų | 115.2 | 70% | 0.696 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -8.4 | -179.5 | -73 | -170.6 | 176.6 | -179.4 | 0 | 115.4 | Q113 | Q113-K115 PolarHBondContact O-N 2.87Š|
| 116 | T | 38.9 | Very low | 48.4 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -107.4 | 3.4 | -174.7 | 73.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 117 | S | 42 | Very low | 46.5 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -108.6 | 5.6 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 118 | S | 43 | Very low | 44.9 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -136.6 | 23.9 | -172.4 | 38.7 | 0 | 0 | 0 | 0 | 112.7 | D114 | D114-S118 PolarHBondContact O-OG 3.08Š|
| 119 | K | 38.9 | Very low | 44.1 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 80% | 0.8 | 71% | 0.705 | S | S | * | * | trans | -126.3 | 53.2 | -177.6 | -160.5 | 167 | -178.5 | 174.1 | 0 | 112.8 | ||||
| 120 | E | 38.9 | Very low | 43.1 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -138.1 | 77.3 | 152.4 | -66.2 | -179.8 | -176.6 | 0 | 0 | 102.4 | ||
| 121 | E | 43.7 | Very low | 42.5 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | S | Bend | 172.9 | 112.6 | 115.9 | -85.2 | 167.9 | -165 | 0 | 0 | 103.8 | |||
| 122 | E | 43.4 | Very low | 41.7 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 96% | 0.963 | 77% | 0.771 | S | S | * | * | trans | -179.5 | 90.2 | 153.9 | -88.8 | -152.3 | 159.1 | 0 | 0 | 105.6 | ||||
| 123 | A | 39 | Very low | 41.1 | Very low | 81 Ų | 81 | 147.4 Ų | 147.4 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | -137.7 | 114.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 124 | E | 39.3 | Very low | 40.6 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | 80.6 | 131.8 | 150.2 | -25.8 | -153.5 | 175.8 | 0 | 0 | 115.7 | ||||
| 125 | G | 33.6 | Very low | 40.4 | Very low | 70 Ų | 70 | 148.4 Ų | 148.4 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | -162.4 | 148.4 | 4.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 126 | R | 41.9 | Very low | 40.8 | Very low | 233 Ų | 233 | 149.6 Ų | 149.6 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | 59.9 | 114.9 | 96 | -167.1 | 164.6 | -175.2 | 168.8 | 0.2 | 116.4 | |||||
| 127 | D | 37.3 | Very low | 41.8 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | 44.9 | 124.7 | 158.2 | -86.4 | 23.9 | 0 | 0 | 0 | 119.6 | ||||
| 128 | D | 34 | Very low | 42.4 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | -176.7 | 148.2 | 96.6 | -148.1 | -136.2 | 0 | 0 | 0 | 109.9 | |||||
| 129 | E | 44.2 | Very low | 43.4 | Very low | 175 Ų | 175 | 151.6 Ų | 151.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 144.8 | 175.8 | -56.6 | 178.6 | 160.6 | 0 | 0 | 110.8 | ||||
| 130 | E | 36.1 | Very low | 44.5 | Very low | 196 Ų | 196 | 147.9 Ų | 147.9 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 179.5 | 147.4 | 138 | -86.4 | -122.8 | 158.4 | 0 | 0 | 111.1 | ||||
| 131 | E | 45.1 | Very low | 45.8 | Very low | 197 Ų | 197 | 145.9 Ų | 145.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -75 | 147.7 | -172.2 | -55.8 | -149.4 | 163.2 | 0 | 0 | 114 | ||||
| 132 | G | 35.4 | Very low | 47.4 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -171.2 | 92.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 133 | S | 41 | Very low | 48.7 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -37.4 | 136 | 170.1 | -167.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 134 | D | 40.7 | Very low | 50.2 | Low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 77.7 | 129.2 | 135.5 | -152.5 | 27.5 | 0 | 0 | 0 | 122.7 | ||||
| 135 | S | 46.7 | Very low | 51.8 | Low | 83 Ų | 83 | 139.8 Ų | 139.8 | 58% | 0.58 | 76% | 0.76 | S | S | * | * | trans | 80.5 | 103.2 | 143.8 | -173.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 136 | E | 53.5 | Low | 53.9 | Low | 185 Ų | 185 | 142.9 Ų | 142.9 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 77.5 | 112.7 | 132.5 | -59.3 | -169.6 | 157.5 | 0 | 0 | 120.7 | ||
| 137 | D | 60.2 | Low | 55.6 | Low | 141 Ų | 141 | 139.3 Ų | 139.3 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 66.2 | 68.9 | 160.3 | -136.2 | 34.3 | 0 | 0 | 0 | 116.6 | D139 | D137-D139 VanDerWaalsContact C-N 3.26Å; D137-D139 PolarHBondContact O-N 3.16Å | ||
| 138 | D | 55.5 | Low | 57.5 | Low | 129 Ų | 129 | 142.6 Ų | 142.6 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | trans | -77 | 74.6 | 173.1 | -168.3 | 26.9 | 0 | 0 | 0 | 111.3 | S140 | D138-S140 PolarHBondContact O-N 2.93Å; D138-S140 WeakPolarHBondContact OD1-CB 3.47Å; D138-S140 PolarHBondContact OD1-N 2.92Å; D138-S140 PolarHBondContact OD1-OG 2.9Å | ||
| 139 | D | 62.4 | Low | 59.1 | Low | 91 Ų | 91 | 140.1 Ų | 140.1 | 49% | 0.487 | 76% | 0.759 | S | S | . | * | G | 310 helix | trans | -73.6 | 13.1 | 168.5 | -92.9 | -24.2 | 0 | 0 | 0 | 112.3 | D137 D141 L142 | D137-D139 VanDerWaalsContact C-N 3.26Å; D137-D139 PolarHBondContact O-N 3.16Å; D139-D141 PolarHBondContact O-N 3.15Å; D139-D141 VanDerWaalsContact O-N 3.14Å; D139-L142 HydrophobicContact CB-CD1 3.79Å; D139-L142 HydrophobicContact CB-CG 4.13Å; D139-L142 WeakPolarHBondContact O-CB 3.36Å; D139-L142 PolarHBondContact O-N 3.01Å; D139-L142 VanDerWaalsContact OD1-CD1 3.24Å; D139-L142 WeakPolarHBondContact OD1-CD1 3.48Å |
| 140 | S | 63 | Low | 60.3 | Low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -64.3 | -15.2 | 178.1 | -53.8 | 0 | 0 | 0 | 0 | 113.4 | D138 | D138-S140 PolarHBondContact O-N 2.93Å; D138-S140 WeakPolarHBondContact OD1-CB 3.47Å; D138-S140 PolarHBondContact OD1-N 2.92Å; D138-S140 PolarHBondContact OD1-OG 2.9Å |
| 141 | D | 66.3 | Low | 61.6 | Low | 146 Ų | 146 | 139.1 Ų | 139.1 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -92.4 | 3.4 | 175.1 | -132.5 | 13.4 | 0 | 0 | 0 | 112.9 | D139 F143 | D139-D141 PolarHBondContact O-N 3.15Å; D139-D141 VanDerWaalsContact O-N 3.14Å; D141-F143 PolarHBondContact O-N 3Å |
| 142 | L | 75.9 | Confident | 62.1 | Low | 104 Ų | 104 | 138.1 Ų | 138.1 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | S | Bend | trans | -79 | 116.5 | 171.5 | -68.3 | -176.6 | 0 | 0 | 0 | 110.6 | D139 V144 | D139-L142 HydrophobicContact CB-CD1 3.79Å; D139-L142 HydrophobicContact CB-CG 4.13Å; D139-L142 WeakPolarHBondContact O-CB 3.36Å; D139-L142 PolarHBondContact O-N 3.01Å; D139-L142 VanDerWaalsContact OD1-CD1 3.24Å; D139-L142 WeakPolarHBondContact OD1-CD1 3.48Å; L142-V144 PolarHBondContact O-N 3.12Å |
| 143 | F | 71.2 | Confident | 63 | Low | 198 Ų | 198 | 144.1 Ų | 144.1 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | -51.4 | 114 | 175.8 | -39.3 | -84.8 | 0 | 0 | 0 | 111.3 | D141 N145 | D141-F143 PolarHBondContact O-N 3Å; F143-N145 PolarHBondContact O-N 3.35Å | ||
| 144 | V | 71.2 | Confident | 63.6 | Low | 130 Ų | 130 | 143.3 Ų | 143.3 | 79% | 0.788 | 74% | 0.74 | S | S | * | * | trans | -71.6 | 113.3 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | L142 T146 | L142-V144 PolarHBondContact O-N 3.12Å; V144-T146 PolarHBondContact O-N 3.5Å | ||
| 145 | N | 73.3 | Confident | 63.9 | Low | 106 Ų | 106 | 143.8 Ų | 143.8 | 57% | 0.567 | 74% | 0.738 | S | S | * | * | trans | -67.1 | 103.1 | 177.2 | -175.6 | -3.2 | 0 | 0 | 0 | 110.7 | F143 N147 R148 | F143-N145 PolarHBondContact O-N 3.35Å; N145-N147 PolarHBondContact O-N 3.43Å; N145-N147 VanDerWaalsContact O-N 3.14Å; N145-N147 PolarHBondContact OD1-N 3.29Å; N145-R148 WeakPolarHBondContact O-CB 3.4Å; N145-R148 PolarHBondContact O-N 2.98Å | ||
| 146 | T | 76.4 | Confident | 63.8 | Low | 135 Ų | 135 | 144.2 Ų | 144.2 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -11.1 | -175.4 | -15.4 | 0 | 0 | 0 | 0 | 113.8 | V144 R148 | V144-T146 PolarHBondContact O-N 3.5Å; T146-R148 VanDerWaalsContact C-N 3.26Å |
| 147 | N | 79.1 | Confident | 63.6 | Low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -2.2 | 172.5 | -70.5 | -26.5 | 0 | 0 | 0 | 113.1 | N145 | N145-N147 PolarHBondContact O-N 3.43Å; N145-N147 VanDerWaalsContact O-N 3.14Å; N145-N147 PolarHBondContact OD1-N 3.29Å |
| 148 | R | 76.9 | Confident | 62.7 | Low | 211 Ų | 211 | 144.5 Ų | 144.5 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -98.1 | 118.1 | 174.8 | -164.2 | 172.5 | -170.8 | 176.3 | 0.3 | 109.3 | N145 T146 N150 | N145-R148 WeakPolarHBondContact O-CB 3.4Å; N145-R148 PolarHBondContact O-N 2.98Å; T146-R148 VanDerWaalsContact C-N 3.26Å; R148-N150 PolarHBondContact O-N 3.29Å |
| 149 | C | 68 | Low | 62.3 | Low | 105 Ų | 105 | 147.6 Ų | 147.6 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | trans | -66.4 | 117.2 | 174.7 | -171.9 | 0 | 0 | 0 | 0 | 109.4 | Y151 | C149-Y151 PolarHBondContact O-N 3.02Š| ||
| 150 | N | 69.1 | Low | 61.3 | Low | 138 Ų | 138 | 151 Ų | 151 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -79.1 | 112.2 | 178.5 | -166.6 | 32.8 | 0 | 0 | 0 | 109.3 | R148 | R148-N150 PolarHBondContact O-N 3.29Š| ||
| 151 | Y | 62.4 | Low | 60.1 | Low | 212 Ų | 212 | 152.5 Ų | 152.5 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -88.1 | 108.1 | 171.1 | -97.2 | -96.5 | 0 | 0 | 0 | 108.2 | C149 Y153 | C149-Y151 PolarHBondContact O-N 3.02Å; Y151-Y153 PolarHBondContact O-N 2.73Å | ||
| 152 | Q | 55.8 | Low | 58.9 | Low | 176 Ų | 176 | 150.7 Ų | 150.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -77.3 | 112.4 | 164 | -75 | -167 | -66.8 | 0 | 0 | 108.2 | S154 | Q152-S154 PolarHBondContact O-N 3.46Š| ||
| 153 | Y | 54 | Low | 57.1 | Low | 204 Ų | 204 | 153.8 Ų | 153.8 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -81.9 | 98.8 | 166.2 | -154.8 | -99.1 | 0 | 0 | 0 | 106.7 | Y151 E155 | Y151-Y153 PolarHBondContact O-N 2.73Å; Y153-E155 PolarHBondContact O-N 3.1Å | ||
| 154 | S | 54 | Low | 55.7 | Low | 103 Ų | 103 | 151.6 Ų | 151.6 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | -78.4 | 102.5 | 166.6 | 47.4 | 0 | 0 | 0 | 0 | 107.1 | Q152 S156 | Q152-S154 PolarHBondContact O-N 3.46Å; S154-S156 VanDerWaalsContact C-N 3.3Å; S154-S156 PolarHBondContact O-N 2.8Å | ||
| 155 | E | 47.9 | Very low | 54.3 | Low | 160 Ų | 160 | 153 Ų | 153 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -69.3 | 92.5 | 168.7 | -162.1 | 143.8 | 82.1 | 0 | 0 | 107.2 | Y153 E157 | Y153-E155 PolarHBondContact O-N 3.1Å; E155-E157 PolarHBondContact O-N 3.35Å | ||
| 156 | S | 43.5 | Very low | 52.6 | Low | 92 Ų | 92 | 154.6 Ų | 154.6 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | -79.7 | 102.4 | 174 | 52.9 | 0 | 0 | 0 | 0 | 108.4 | S154 D158 | S154-S156 VanDerWaalsContact C-N 3.3Å; S154-S156 PolarHBondContact O-N 2.8Å; S156-D158 VanDerWaalsContact C-N 3.33Å; S156-D158 PolarHBondContact O-N 3.29Å; S156-D158 VanDerWaalsContact O-N 3.09Å | ||
| 157 | E | 48.7 | Very low | 51 | Low | 188 Ų | 188 | 155.7 Ų | 155.7 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -70.8 | 89 | 164.2 | -64 | -178.1 | 143.5 | 0 | 0 | 108.4 | E155 | E155-E157 PolarHBondContact O-N 3.35Š| ||
| 158 | D | 41.9 | Very low | 49.1 | Very low | 145 Ų | 145 | 154.1 Ų | 154.1 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | -95 | 99 | 166.4 | -90.1 | -69.6 | 0 | 0 | 0 | 108.6 | S156 | S156-D158 VanDerWaalsContact C-N 3.33Å; S156-D158 PolarHBondContact O-N 3.29Å; S156-D158 VanDerWaalsContact O-N 3.09Å | ||
| 159 | E | 46.5 | Very low | 47.6 | Very low | 194 Ų | 194 | 152.2 Ų | 152.2 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | trans | -72.7 | 110.3 | 155.6 | -81.3 | -175.2 | 129.9 | 0 | 0 | 108.3 | ||||
| 160 | D | 43 | Very low | 46.6 | Very low | 161 Ų | 161 | 155.3 Ų | 155.3 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -141.8 | 150.6 | 155.4 | -146.7 | -63.2 | 0 | 0 | 0 | 111.2 | ||||
| 161 | N | 37.8 | Very low | 45.6 | Very low | 137 Ų | 137 | 157.4 Ų | 157.4 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | -105 | 162.6 | -149.3 | -176.7 | 28.7 | 0 | 0 | 0 | 110.8 | ||||
| 162 | T | 39.5 | Very low | 44.9 | Very low | 108 Ų | 108 | 156.7 Ų | 156.7 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | trans | -30 | 160.3 | -176.7 | -43.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 163 | E | 39.2 | Very low | 44.4 | Very low | 169 Ų | 169 | 158.9 Ų | 158.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 104 | 139.2 | 153.7 | -59.6 | -177.5 | -176.9 | 0 | 0 | 115.2 | ||||
| 164 | E | 41.5 | Very low | 44 | Very low | 153 Ų | 153 | 154.3 Ų | 154.3 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | cis | -170.6 | 158.8 | -18.9 | -116.7 | -177.4 | -173.6 | 0 | 0 | 104.2 | ||||
| 165 | E | 40.8 | Very low | 43.5 | Very low | 160 Ų | 160 | 157.7 Ų | 157.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 140.5 | 155.2 | -71.4 | -171.1 | -172.9 | 0 | 0 | 118.8 | ||||
| 166 | E | 39.5 | Very low | 43.4 | Very low | 138 Ų | 138 | 157.4 Ų | 157.4 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | cis | -162.8 | 162.9 | 2.7 | -83.5 | -117.4 | 129.8 | 0 | 0 | 107.7 | ||||
| 167 | E | 41.7 | Very low | 43.4 | Very low | 158 Ų | 158 | 156.3 Ų | 156.3 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 20.9 | 139.9 | 146.1 | -56.3 | -176.3 | 154.8 | 0 | 0 | 119.4 | ||||
| 168 | D | 39.3 | Very low | 43.3 | Very low | 125 Ų | 125 | 157 Ų | 157 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | cis | -176.8 | 157.1 | 37.1 | -142.8 | -24.5 | 0 | 0 | 0 | 110.8 | ||||
| 169 | E | 45.3 | Very low | 43.4 | Very low | 170 Ų | 170 | 157.6 Ų | 157.6 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 66.9 | 144.9 | 144.4 | -92.4 | 178.7 | -164.8 | 0 | 0 | 127.3 | ||||
| 170 | E | 46.6 | Very low | 43.2 | Very low | 171 Ų | 171 | 155.7 Ų | 155.7 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -43.4 | 157 | 179.8 | -61.4 | -162.7 | 143.2 | 0 | 0 | 116.8 | ||||
| 171 | E | 47.8 | Very low | 43.2 | Very low | 181 Ų | 181 | 155.4 Ų | 155.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | -164.4 | 139 | 73.4 | -80.4 | -168 | 154.6 | 0 | 0 | 114.1 | |||||
| 172 | K | 48.4 | Very low | 43.5 | Very low | 198 Ų | 198 | 156.5 Ų | 156.5 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -79.1 | 133 | 157.9 | -66.2 | 177.9 | 176.8 | 175.8 | 0 | 109.5 | ||||
| 173 | R | 45.1 | Very low | 43.8 | Very low | 222 Ų | 222 | 159.5 Ų | 159.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -177.5 | 110.3 | 135.1 | -110.1 | 161.3 | 167.9 | -100.3 | -1 | 112.4 | ||||
| 174 | T | 45.1 | Very low | 44.1 | Very low | 107 Ų | 107 | 158.9 Ų | 158.9 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | 83.9 | 108.8 | 103.9 | 58.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 175 | E | 44.6 | Very low | 44.3 | Very low | 174 Ų | 174 | 159.3 Ų | 159.3 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | 26 | 116.7 | 114.7 | -165.9 | 162.5 | 96.1 | 0 | 0 | 117.8 | |||||
| 176 | N | 45.9 | Very low | 44.5 | Very low | 155 Ų | 155 | 159.2 Ų | 159.2 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | 168.2 | 129.4 | 132.5 | -81.6 | -31.6 | 0 | 0 | 0 | 106.2 | ||||
| 177 | G | 44 | Very low | 45 | Very low | 68 Ų | 68 | 161 Ų | 161 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | cis | 105.3 | 92.7 | 46.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 178 | S | 45.8 | Very low | 45.3 | Very low | 203 Ų | 203 | 161.3 Ų | 161.3 | 100% | 1.42 | 84% | 0.839 | S | S | * | * | trans | -168.9 | 0 | 149.6 | -80.1 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 178 of 178 residues in 139.7 ms
(Link to these results)