| 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 | 33.8 | Very low | 62.4 | Low | 243 Ų | 243 | 146 Ų | 146 | 100% | 1.197 | 68% | 0.68 | S | S | * | * | 0 | 121 | 0 | -76.7 | 178.1 | 173.4 | 0 | 0 | 107.6 | D3 | M1-D3 PolarHBondContact O-N 2.95Š| |||
| 2 | Y | 37.3 | Very low | 64.2 | Low | 206 Ų | 206 | 139.6 Ų | 139.6 | 81% | 0.808 | 66% | 0.658 | S | S | * | * | trans | -76.1 | 106.8 | 174.3 | -72.9 | -88.7 | 0 | 0 | 0 | 108.4 | ||||
| 3 | D | 44 | Very low | 65.5 | Low | 88 Ų | 88 | 140.4 Ų | 140.4 | 47% | 0.471 | 67% | 0.669 | S | S | . | * | trans | -71 | 137.7 | 168.8 | -169.7 | -0.7 | 0 | 0 | 0 | 108.5 | M1 Q5 N6 | M1-D3 PolarHBondContact O-N 2.95Å; D3-Q5 PolarHBondContact O-N 3.09Å; D3-N6 PolarHBondContact O-N 3.44Å; D3-N6 VanDerWaalsContact O-N 3.12Å | ||
| 4 | R | 48.8 | Very low | 66.7 | Low | 254 Ų | 254 | 141.1 Ų | 141.1 | 96% | 0.958 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -0.5 | -177.2 | -73.9 | -178.7 | 173.9 | 178.5 | -1.5 | 113.5 | ||
| 5 | Q | 50.2 | Low | 67.8 | Low | 151 Ų | 151 | 136.3 Ų | 136.3 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 11.3 | 177.7 | -61.3 | -168.3 | -4.9 | 0 | 0 | 114.6 | D3 V7 | D3-Q5 PolarHBondContact O-N 3.09Å; Q5-V7 HydrophobicContact CB-CG2 4.15Å; Q5-V7 WeakPolarHBondContact O-CG2 3.49Å; Q5-V7 PolarHBondContact O-N 2.88Å; Q5-V7 VanDerWaalsContact O-N 3.12Å |
| 6 | N | 60.6 | Low | 68.9 | Low | 138 Ų | 138 | 138.8 Ų | 138.8 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | trans | 53.2 | 31.8 | 178.1 | -95.5 | -3.2 | 0 | 0 | 0 | 113.6 | D3 | D3-N6 PolarHBondContact O-N 3.44Å; D3-N6 VanDerWaalsContact O-N 3.12Å | ||
| 7 | V | 73.7 | Confident | 69.8 | Low | 72 Ų | 72 | 138.5 Ų | 138.5 | 44% | 0.436 | 70% | 0.695 | S | S | . | * | trans | -94.9 | 111.1 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | Q5 R9 | Q5-V7 HydrophobicContact CB-CG2 4.15Å; Q5-V7 WeakPolarHBondContact O-CG2 3.49Å; Q5-V7 PolarHBondContact O-N 2.88Å; Q5-V7 VanDerWaalsContact O-N 3.12Å; V7-R9 HydrophobicContact CG1-CG 4.18Å | ||
| 8 | H | 81.6 | Confident | 70.7 | Confident | 65 Ų | 65 | 135.9 Ų | 135.9 | 30% | 0.301 | 69% | 0.688 | S | S | . | * | trans | -78.8 | 125.4 | 172.3 | -64.6 | -83.6 | 0 | 0 | 0 | 109.9 | F10 Y68 P86 | H8-F10 HydrophobicContact CB-CE2 3.97Å; H8-F10 HydrophobicContact CB-CZ 4.28Å; H8-Y68 AromaticContact CE1-CE2 3.8Å; H8-Y68 PolarHBondContact CE1-OH 2.95Å; H8-P86 HydrophobicContact CB-CB 3.94Å; H8-P86 PolarHBondContact CD2-O 3.38Å | ||
| 9 | R | 85 | Confident | 71.4 | Confident | 212 Ų | 212 | 135.7 Ų | 135.7 | 80% | 0.8 | 70% | 0.696 | S | S | * | * | trans | -130.5 | 132.8 | 173.6 | -69.7 | -177.1 | 180 | 155.3 | 1.5 | 109.1 | V7 | V7-R9 HydrophobicContact CG1-CG 4.18Š| ||
| 10 | F | 85.7 | Confident | 71.8 | Confident | 65 Ų | 65 | 136.1 Ų | 136.1 | 29% | 0.285 | 70% | 0.7 | S | S | . | * | trans | -125.4 | 134.6 | 177.1 | -55 | -81.2 | 0 | 0 | 0 | 108.8 | H8 I61 E63 A64 P86 F87 | H8-F10 HydrophobicContact CB-CE2 3.97Å; H8-F10 HydrophobicContact CB-CZ 4.28Å; F10-I61 HydrophobicContact CB-CG2 4.3Å; F10-E63 HydrophobicContact CD1-CB 3.86Å; F10-E63 HydrophobicContact CE1-CB 3.55Å; F10-A64 HydrophobicContact CD2-CB 4.31Å; F10-A64 HydrophobicContact CE2-CB 4.38Å; F10-P86 HydrophobicContact CE2-CB 3.73Å; F10-P86 HydrophobicContact CE2-CG 4.17Å; F10-P86 HydrophobicContact CZ-CB 3.68Å; F10-P86 HydrophobicContact CZ-CG 3.73Å; F10-F87 HydrophobicContact CD2-CE1 4.42Å; F10-F87 AromaticContact CD2-CE2 3.91Å; F10-F87 HydrophobicContact CD2-CE2 3.91Å; F10-F87 AromaticContact CD2-CZ 3.56Å; F10-F87 HydrophobicContact CD2-CZ 3.56Å; F10-F87 HydrophobicContact CE2-CE1 4.44Å; F10-F87 AromaticContact CE2-CE2 3.92Å; F10-F87 HydrophobicContact CE2-CE2 3.92Å; F10-F87 AromaticContact CE2-CZ 3.8Å; F10-F87 HydrophobicContact CE2-CZ 3.8Å | ||
| 11 | S | 85.2 | Confident | 72.2 | Confident | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | trans | -76.7 | 140 | 173.1 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 12 | V | 83.9 | Confident | 74.4 | Confident | 69 Ų | 69 | 126.7 Ų | 126.7 | 42% | 0.418 | 66% | 0.656 | S | S | . | * | trans | -128.8 | 111.5 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | A15 I61 | V12-A15 HydrophobicContact CG1-CB 3.93Å; V12-I61 HydrophobicContact CB-CD1 4.4Å; V12-I61 HydrophobicContact CG1-CD1 4.07Å; V12-I61 HydrophobicContact CG2-CD1 3.49Å; V12-I61 VanDerWaalsContact CG2-CD1 3.49Å; V12-I61 HydrophobicContact CG2-CG1 4.47Å | ||
| 13 | D | 81.1 | Confident | 76.2 | Confident | 150 Ų | 150 | 118.2 Ų | 118.2 | 80% | 0.802 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -82.1 | -28.1 | -172.2 | -63.5 | -34 | 0 | 0 | 0 | 112.3 | ||
| 14 | D | 82.9 | Confident | 77.5 | Confident | 150 Ų | 150 | 117.4 Ų | 117.4 | 80% | 0.802 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -132.9 | 57 | -174.2 | -69.6 | -50 | 0 | 0 | 0 | 113.6 | L16 | D14-L16 PolarHBondContact O-N 3.34Š|
| 15 | A | 83 | Confident | 78.3 | Confident | 69 Ų | 69 | 112.9 Ų | 112.9 | 57% | 0.57 | 62% | 0.616 | S | S | * | * | trans | -72.2 | 120.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V12 T17 | V12-A15 HydrophobicContact CG1-CB 3.93Å; A15-T17 PolarHBondContact O-N 2.98Å | ||
| 16 | L | 85 | Confident | 79.1 | Confident | 177 Ų | 177 | 111.9 Ų | 111.9 | 93% | 0.927 | 61% | 0.606 | S | S | * | * | trans | -73.5 | 125.5 | 169.9 | -65.6 | 176.3 | 0 | 0 | 0 | 110.5 | D14 | D14-L16 PolarHBondContact O-N 3.34Š| ||
| 17 | T | 84.7 | Confident | 79.5 | Confident | 133 Ų | 133 | 108.7 Ų | 108.7 | 82% | 0.816 | 60% | 0.595 | S | S | * | * | trans | -109.2 | 138.6 | 179.3 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | A15 | A15-T17 PolarHBondContact O-N 2.98Š| ||
| 18 | V | 86.3 | Confident | 79.4 | Confident | 92 Ų | 92 | 106.8 Ų | 106.8 | 56% | 0.558 | 58% | 0.583 | S | S | * | * | trans | -136 | 148.5 | 174.4 | -68.3 | 0 | 0 | 0 | 0 | 109.5 | N20 I21 | V18-N20 PolarHBondContact O-N 3.18Å; V18-I21 HydrophobicContact CG2-CG1 3.96Å | ||
| 19 | P | 83.6 | Confident | 79.1 | Confident | 132 Ų | 132 | 107.7 Ų | 107.7 | 86% | 0.857 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -61 | -31.9 | -178.4 | -22.3 | 31.8 | 0 | 0 | 0 | 113.6 | ||
| 20 | N | 80.1 | Confident | 78.5 | Confident | 144 Ų | 144 | 99.4 Ų | 99.4 | 77% | 0.77 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -144.7 | 128.1 | 176 | -83.2 | -49.1 | 0 | 0 | 0 | 109.2 | V18 N22 | V18-N20 PolarHBondContact O-N 3.18Å; N20-N22 PolarHBondContact O-N 3.4Å |
| 21 | I | 79.9 | Confident | 78 | Confident | 37 Ų | 37 | 101.1 Ų | 101.1 | 19% | 0.19 | 58% | 0.576 | C | S | . | * | trans | -77 | 116.7 | 173.6 | -55.8 | -178.4 | 0 | 0 | 0 | 108.1 | V18 V23 A54 L56 | V18-I21 HydrophobicContact CG2-CG1 3.96Å; I21-V23 HydrophobicContact CB-CG1 4.44Å; I21-V23 HydrophobicContact CG2-CG1 3.5Å; I21-V23 PolarHBondContact O-N 2.88Å; I21-A54 VanDerWaalsContact CD1-C 3.48Å; I21-A54 VanDerWaalsContact CD1-O 3.26Å; I21-A54 WeakPolarHBondContact CD1-O 3.48Å; I21-L56 HydrophobicContact CD1-CG 4.42Å; I21-L56 HydrophobicContact CG2-CD1 3.62Å; I21-L56 HydrophobicContact CG2-CG 3.86Å | ||
| 22 | N | 79 | Confident | 77.5 | Confident | 145 Ų | 145 | 97 Ų | 97 | 78% | 0.775 | 55% | 0.546 | S | S | * | . | trans | -78.2 | 72 | 177.9 | -166.7 | 17.8 | 0 | 0 | 0 | 111.1 | N20 | N20-N22 PolarHBondContact O-N 3.4Š| ||
| 23 | V | 76 | Confident | 77 | Confident | 28 Ų | 28 | 94.2 Ų | 94.2 | 17% | 0.17 | 53% | 0.529 | C | S | . | . | trans | -87.1 | 156.1 | 172.2 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | I21 K50 V53 L56 | I21-V23 HydrophobicContact CB-CG1 4.44Å; I21-V23 HydrophobicContact CG2-CG1 3.5Å; I21-V23 PolarHBondContact O-N 2.88Å; V23-K50 HydrophobicContact CG2-CB 4.41Å; V23-K50 HydrophobicContact CG2-CG 3.84Å; V23-V53 HydrophobicContact CG1-CB 4.37Å; V23-V53 HydrophobicContact CG1-CG1 3.99Å; V23-V53 HydrophobicContact CG2-CB 4.13Å; V23-V53 HydrophobicContact CG2-CG2 4.16Å; V23-L56 HydrophobicContact CG1-CD2 4.15Å | ||
| 24 | S | 70.3 | Confident | 76.8 | Confident | 70 Ų | 70 | 90 Ų | 90 | 49% | 0.49 | 50% | 0.504 | S | S | . | . | trans | -55.2 | 137.6 | 175.2 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | R26 | S24-R26 PolarHBondContact O-N 3.24Å; S24-R26 WeakPolarHBondContact OG-CD 3.33Å; S24-R26 VanDerWaalsContact OG-CG 3.22Å; S24-R26 WeakPolarHBondContact OG-CG 3.48Å; S24-R26 PolarHBondContact OG-N 3.35Å | ||
| 25 | Q | 67.3 | Low | 76.5 | Confident | 159 Ų | 159 | 89.3 Ų | 89.3 | 74% | 0.743 | 50% | 0.5 | S | S | * | . | trans | -69.2 | 15.7 | 173.8 | -68.1 | -177 | -17 | 0 | 0 | 114 | S27 K50 | Q25-S27 PolarHBondContact O-N 3.34Å; Q25-K50 HydrophobicContact CG-CD 4.08Å | ||
| 26 | R | 65.9 | Low | 76.3 | Confident | 130 Ų | 130 | 90 Ų | 90 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | trans | -76.7 | 112.4 | -177.9 | -76.8 | 173.7 | -170.5 | -174.7 | 4.2 | 108.3 | S24 | S24-R26 PolarHBondContact O-N 3.24Å; S24-R26 WeakPolarHBondContact OG-CD 3.33Å; S24-R26 VanDerWaalsContact OG-CG 3.22Å; S24-R26 WeakPolarHBondContact OG-CG 3.48Å; S24-R26 PolarHBondContact OG-N 3.35Å | ||
| 27 | S | 68.6 | Low | 76.1 | Confident | 72 Ų | 72 | 83.7 Ų | 83.7 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | trans | -92 | 151.5 | 159.8 | 58.8 | 0 | 0 | 0 | 0 | 109.4 | Q25 | Q25-S27 PolarHBondContact O-N 3.34Š| ||
| 28 | V | 72.3 | Confident | 75.8 | Confident | 31 Ų | 31 | 82 Ų | 82 | 19% | 0.188 | 45% | 0.449 | C | S | . | . | trans | -125.9 | 123.7 | 179.8 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | F30 L33 M95 | V28-F30 HydrophobicContact CB-CZ 4.35Å; V28-F30 HydrophobicContact CG1-CD1 4.3Å; V28-F30 HydrophobicContact CG1-CE1 4.15Å; V28-F30 HydrophobicContact CG1-CZ 4.48Å; V28-F30 PolarHBondContact O-N 3.41Å; V28-F30 VanDerWaalsContact O-N 3.08Å; V28-L33 HydrophobicContact CG1-CD1 3.27Å; V28-L33 HydrophobicContact CG1-CG 4.11Å; V28-M95 HydrophobicContact CG1-CE 4Å; V28-M95 HydrophobicContact CG1-SD 4.3Å; V28-M95 HydrophobicContact CG2-CE 3.73Å | ||
| 29 | D | 74.6 | Confident | 75.5 | Confident | 84 Ų | 84 | 79.7 Ų | 79.7 | 45% | 0.449 | 43% | 0.432 | S | S | . | . | trans | -77 | 94.5 | 171.8 | -177.8 | 2.1 | 0 | 0 | 0 | 110 | T31 C32 L33 | D29-T31 PolarHBondContact O-N 2.97Å; D29-T31 WeakPolarHBondContact OD1-CA 3.27Å; D29-T31 WeakPolarHBondContact OD1-CB 3.28Å; D29-T31 PolarHBondContact OD1-N 3.47Å; D29-T31 PolarHBondContact OD1-OG1 3.27Å; D29-C32 HydrophobicContact CB-CB 4.09Å; D29-C32 PolarHBondContact O-N 3.39Å; D29-C32 PolarHBondContact OD1-N 2.85Å; D29-C32 WeakPolarHBondContact OD2-CB 3.27Å; D29-L33 PolarHBondContact O-N 3.3Å; D29-L33 VanDerWaalsContact O-N 3.1Å | ||
| 30 | F | 73.8 | Confident | 75.5 | Confident | 39 Ų | 39 | 73.5 Ų | 73.5 | 17% | 0.171 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.6 | -23.9 | 177.1 | -70.2 | -64.7 | 0 | 0 | 0 | 113.2 | V28 C32 L33 K34 L45 A47 I91 | V28-F30 HydrophobicContact CB-CZ 4.35Å; V28-F30 HydrophobicContact CG1-CD1 4.3Å; V28-F30 HydrophobicContact CG1-CE1 4.15Å; V28-F30 HydrophobicContact CG1-CZ 4.48Å; V28-F30 PolarHBondContact O-N 3.41Å; V28-F30 VanDerWaalsContact O-N 3.08Å; F30-C32 VanDerWaalsContact C-N 3.34Å; F30-L33 HydrophobicContact CD1-CD1 3.93Å; F30-L33 HydrophobicContact CE1-CD1 4.25Å; F30-L33 PolarHBondContact O-N 3.44Å; F30-K34 VanDerWaalsContact O-CG 3.27Å; F30-K34 WeakPolarHBondContact O-CG 3.5Å; F30-K34 PolarHBondContact O-N 2.97Å; F30-L45 HydrophobicContact CB-CB 4.24Å; F30-L45 HydrophobicContact CD1-CB 4.07Å; F30-L45 HydrophobicContact CD1-CD1 3.66Å; F30-L45 HydrophobicContact CD1-CG 4.45Å; F30-L45 HydrophobicContact CD2-CB 4.13Å; F30-L45 HydrophobicContact CE1-CB 4.47Å; F30-L45 HydrophobicContact CE1-CD1 3.89Å; F30-L45 HydrophobicContact CG-CB 3.9Å; F30-L45 HydrophobicContact CG-CD1 4.32Å; F30-A47 HydrophobicContact CD2-CB 3.84Å; F30-A47 HydrophobicContact CE2-CB 4.29Å; F30-I91 HydrophobicContact CD1-CD1 3.98Å; F30-I91 HydrophobicContact CE1-CD1 3.65Å; F30-I91 HydrophobicContact CE1-CG1 4.23Å |
| 31 | T | 74.5 | Confident | 75.5 | Confident | 101 Ų | 101 | 74.9 Ų | 74.9 | 62% | 0.62 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 176 | -46.2 | 0 | 0 | 0 | 0 | 109.5 | D29 K34 N35 | D29-T31 PolarHBondContact O-N 2.97Å; D29-T31 WeakPolarHBondContact OD1-CA 3.27Å; D29-T31 WeakPolarHBondContact OD1-CB 3.28Å; D29-T31 PolarHBondContact OD1-N 3.47Å; D29-T31 PolarHBondContact OD1-OG1 3.27Å; T31-K34 PolarHBondContact O-N 3.5Å; T31-N35 PolarHBondContact O-N 2.8Å |
| 32 | C | 73.8 | Confident | 75.5 | Confident | 24 Ų | 24 | 76.9 Ų | 76.9 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 174.5 | -169.5 | 0 | 0 | 0 | 0 | 112.4 | D29 F30 K34 N35 L36 F99 | D29-C32 HydrophobicContact CB-CB 4.09Å; D29-C32 PolarHBondContact O-N 3.39Å; D29-C32 PolarHBondContact OD1-N 2.85Å; D29-C32 WeakPolarHBondContact OD2-CB 3.27Å; F30-C32 VanDerWaalsContact C-N 3.34Å; C32-K34 VanDerWaalsContact C-N 3.32Å; C32-K34 PolarHBondContact O-N 2.88Å; C32-N35 WeakPolarHBondContact O-CB 3.49Å; C32-N35 PolarHBondContact O-N 3.18Å; C32-N35 VanDerWaalsContact O-N 3.09Å; C32-L36 PolarHBondContact O-N 3.15Å; C32-F99 HydrophobicContact CB-CD1 4.3Å; C32-F99 WeakPolarHBondContact SG-CD1 3.37Å; C32-F99 WeakPolarHBondContact SG-CE1 3.42Å |
| 33 | L | 74.9 | Confident | 75.7 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 178.6 | -71 | -177 | 0 | 0 | 0 | 113.4 | V28 D29 F30 N35 L36 W37 I91 M95 | V28-L33 HydrophobicContact CG1-CD1 3.27Å; V28-L33 HydrophobicContact CG1-CG 4.11Å; D29-L33 PolarHBondContact O-N 3.3Å; D29-L33 VanDerWaalsContact O-N 3.1Å; F30-L33 HydrophobicContact CD1-CD1 3.93Å; F30-L33 HydrophobicContact CE1-CD1 4.25Å; F30-L33 PolarHBondContact O-N 3.44Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.31Å; L33-L36 HydrophobicContact CD2-CD1 4.44Å; L33-L36 PolarHBondContact O-N 3.44Å; L33-W37 HydrophobicContact CD2-CH2 4.03Å; L33-W37 HydrophobicContact CD2-CZ3 3.86Å; L33-W37 PolarHBondContact O-N 2.87Å; L33-W37 VanDerWaalsContact O-N 3.09Å; L33-I91 HydrophobicContact CD1-CD1 4.32Å; L33-M95 HydrophobicContact CD1-SD 3.91Å |
| 34 | K | 77 | Confident | 75.7 | Confident | 62 Ų | 62 | 72 Ų | 72 | 27% | 0.27 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -31.2 | 175.9 | -73.5 | 177.8 | -166.4 | -175.3 | 0 | 112.7 | F30 T31 C32 I43 | F30-K34 VanDerWaalsContact O-CG 3.27Å; F30-K34 WeakPolarHBondContact O-CG 3.5Å; F30-K34 PolarHBondContact O-N 2.97Å; T31-K34 PolarHBondContact O-N 3.5Å; C32-K34 VanDerWaalsContact C-N 3.32Å; C32-K34 PolarHBondContact O-N 2.88Å; K34-I43 VanDerWaalsContact CE-O 3.25Å; K34-I43 WeakPolarHBondContact CE-O 3.28Å; K34-I43 PolarHBondContact NZ-O 3.2Å |
| 35 | N | 76.8 | Confident | 75.9 | Confident | 136 Ų | 136 | 69.6 Ų | 69.6 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -74.6 | -36.1 | 176.5 | -69.5 | -23.4 | 0 | 0 | 0 | 112.2 | T31 C32 L33 | T31-N35 PolarHBondContact O-N 2.8Å; C32-N35 WeakPolarHBondContact O-CB 3.49Å; C32-N35 PolarHBondContact O-N 3.18Å; C32-N35 VanDerWaalsContact O-N 3.09Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.31Å |
| 36 | L | 77.2 | Confident | 76 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.7 | -37.8 | 179.9 | -74.8 | 154.9 | 0 | 0 | 0 | 112.2 | C32 L33 F99 | C32-L36 PolarHBondContact O-N 3.15Å; L33-L36 HydrophobicContact CD2-CD1 4.44Å; L33-L36 PolarHBondContact O-N 3.44Å; L36-F99 HydrophobicContact CD1-CD2 3.79Å; L36-F99 HydrophobicContact CD1-CE2 3.47Å; L36-F99 VanDerWaalsContact CD1-CE2 3.47Å; L36-F99 HydrophobicContact CD1-CZ 4.07Å; L36-F99 HydrophobicContact CD2-CE2 4.43Å |
| 37 | W | 81.1 | Confident | 76.1 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 17% | 0.167 | 39% | 0.394 | C | S | . | . | trans | -124.2 | 99.9 | -170.5 | -64.4 | -20 | 0 | 0 | 0 | 111.4 | L33 Q39 L40 A79 P80 M95 | L33-W37 HydrophobicContact CD2-CH2 4.03Å; L33-W37 HydrophobicContact CD2-CZ3 3.86Å; L33-W37 PolarHBondContact O-N 2.87Å; L33-W37 VanDerWaalsContact O-N 3.09Å; W37-Q39 PolarHBondContact O-N 2.94Å; W37-Q39 VanDerWaalsContact O-N 3.08Å; W37-L40 HydrophobicContact CB-CD1 4.37Å; W37-L40 HydrophobicContact CB-CG 4.15Å; W37-L40 HydrophobicContact CE3-CD1 3.59Å; W37-L40 HydrophobicContact CE3-CG 4.37Å; W37-L40 HydrophobicContact CZ3-CD1 4.26Å; W37-L40 PolarHBondContact O-N 2.99Å; W37-A79 HydrophobicContact CD2-CB 4.29Å; W37-A79 HydrophobicContact CZ2-CB 4.38Å; W37-P80 HydrophobicContact CD2-CG 4.42Å; W37-P80 VanDerWaalsContact CE3-CD 3.49Å; W37-P80 HydrophobicContact CE3-CG 3.51Å; W37-P80 HydrophobicContact CH2-CG 3.21Å; W37-P80 HydrophobicContact CZ2-CG 4.13Å; W37-P80 HydrophobicContact CZ3-CB 4.35Å; W37-P80 HydrophobicContact CZ3-CG 2.85Å; W37-M95 HydrophobicContact CH2-CG 4.37Å | ||
| 38 | P | 78.2 | Confident | 76.1 | Confident | 99 Ų | 99 | 66.3 Ų | 66.3 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -56.1 | -28.9 | -177.1 | -26.6 | 34.3 | 0 | 0 | 0 | 114.2 | L40 K41 | P38-L40 PolarHBondContact O-N 3.25Å; P38-K41 WeakPolarHBondContact O-CB 3.44Å; P38-K41 PolarHBondContact O-N 3.19Å |
| 39 | Q | 81.6 | Confident | 75.9 | Confident | 43 Ų | 43 | 66.8 Ų | 66.8 | 20% | 0.201 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -66.8 | -18.4 | 177.6 | 74.3 | -81.4 | 14.8 | 0 | 0 | 113.5 | W37 L71 | W37-Q39 PolarHBondContact O-N 2.94Å; W37-Q39 VanDerWaalsContact O-N 3.08Å; Q39-L71 WeakPolarHBondContact O-CD1 3.3Å |
| 40 | L | 82.8 | Confident | 75.4 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -91.4 | -0.1 | 173.3 | -55.2 | -168.9 | 0 | 0 | 0 | 112.3 | W37 P38 G42 I43 A82 I91 | W37-L40 HydrophobicContact CB-CD1 4.37Å; W37-L40 HydrophobicContact CB-CG 4.15Å; W37-L40 HydrophobicContact CE3-CD1 3.59Å; W37-L40 HydrophobicContact CE3-CG 4.37Å; W37-L40 HydrophobicContact CZ3-CD1 4.26Å; W37-L40 PolarHBondContact O-N 2.99Å; P38-L40 PolarHBondContact O-N 3.25Å; L40-G42 PolarHBondContact O-N 3.19Å; L40-I43 HydrophobicContact CB-CD1 4.16Å; L40-I43 HydrophobicContact CD2-CD1 3.91Å; L40-I43 WeakPolarHBondContact O-CG1 3.32Å; L40-A82 HydrophobicContact CD2-CB 3.47Å; L40-A82 VanDerWaalsContact CD2-CB 3.47Å; L40-I91 HydrophobicContact CD1-CD1 3.65Å |
| 41 | K | 80 | Confident | 75.2 | Confident | 174 Ų | 174 | 72.6 Ų | 72.6 | 76% | 0.757 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 120.8 | 177.3 | -160.2 | 173.8 | -177.5 | 177.9 | 0 | 109 | P38 | P38-K41 WeakPolarHBondContact O-CB 3.44Å; P38-K41 PolarHBondContact O-N 3.19Å |
| 42 | G | 79.2 | Confident | 75.3 | Confident | 79 Ų | 79 | 70 Ų | 70 | 81% | 0.814 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.3 | -5.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L40 | L40-G42 PolarHBondContact O-N 3.19Š|
| 43 | I | 83.8 | Confident | 75.8 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.041 | 43% | 0.434 | C | S | . | . | trans | -86.2 | 137.1 | 170.8 | 67.4 | -178 | 0 | 0 | 0 | 111 | K34 L40 L45 L71 A82 W89 | K34-I43 VanDerWaalsContact CE-O 3.25Å; K34-I43 WeakPolarHBondContact CE-O 3.28Å; K34-I43 PolarHBondContact NZ-O 3.2Å; L40-I43 HydrophobicContact CB-CD1 4.16Å; L40-I43 HydrophobicContact CD2-CD1 3.91Å; L40-I43 WeakPolarHBondContact O-CG1 3.32Å; I43-L45 HydrophobicContact CD1-CD1 3.42Å; I43-L45 VanDerWaalsContact CD1-CD1 3.42Å; I43-L45 HydrophobicContact CD1-CG 3.86Å; I43-L45 HydrophobicContact CG1-CD1 3.86Å; I43-L45 HydrophobicContact CG1-CG 3.95Å; I43-L45 PolarHBondContact O-N 3.19Å; I43-L71 HydrophobicContact CG2-CD1 3.67Å; I43-A82 HydrophobicContact CD1-CB 3.7Å; I43-W89 HydrophobicContact CB-CB 4.49Å; I43-W89 HydrophobicContact CB-CD2 4.03Å; I43-W89 HydrophobicContact CB-CG 3.9Å; I43-W89 HydrophobicContact CD1-CB 4.46Å; I43-W89 HydrophobicContact CG2-CD2 3.68Å; I43-W89 HydrophobicContact CG2-CE3 4.09Å; I43-W89 HydrophobicContact CG2-CG 4.11Å; I43-W89 HydrophobicContact CG2-CH2 4.21Å; I43-W89 HydrophobicContact CG2-CZ2 3.84Å; I43-W89 HydrophobicContact CG2-CZ3 4.34Å | ||
| 44 | G | 76.6 | Confident | 76.2 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 64% | 0.639 | 47% | 0.466 | S | S | * | . | trans | -78.7 | 99.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 45 | L | 73.7 | Confident | 76.7 | Confident | 20 Ų | 20 | 76.8 Ų | 76.8 | 11% | 0.105 | 48% | 0.482 | C | S | . | . | trans | -114.9 | 123.2 | 170.7 | -73.9 | 170.3 | 0 | 0 | 0 | 107.9 | F30 I43 W89 I91 | F30-L45 HydrophobicContact CB-CB 4.24Å; F30-L45 HydrophobicContact CD1-CB 4.07Å; F30-L45 HydrophobicContact CD1-CD1 3.66Å; F30-L45 HydrophobicContact CD1-CG 4.45Å; F30-L45 HydrophobicContact CD2-CB 4.13Å; F30-L45 HydrophobicContact CE1-CB 4.47Å; F30-L45 HydrophobicContact CE1-CD1 3.89Å; F30-L45 HydrophobicContact CG-CB 3.9Å; F30-L45 HydrophobicContact CG-CD1 4.32Å; I43-L45 HydrophobicContact CD1-CD1 3.42Å; I43-L45 VanDerWaalsContact CD1-CD1 3.42Å; I43-L45 HydrophobicContact CD1-CG 3.86Å; I43-L45 HydrophobicContact CG1-CD1 3.86Å; I43-L45 HydrophobicContact CG1-CG 3.95Å; I43-L45 PolarHBondContact O-N 3.19Å; L45-W89 HydrophobicContact CD2-CB 3.74Å; L45-W89 WeakPolarHBondContact CD2-O 3.26Å; L45-W89 HydrophobicContact CG-CB 4.36Å; L45-I91 HydrophobicContact CD1-CD1 3.55Å; L45-I91 HydrophobicContact CD1-CG1 3.77Å | ||
| 46 | N | 70.2 | Confident | 77.2 | Confident | 142 Ų | 142 | 76 Ų | 76 | 76% | 0.759 | 48% | 0.477 | S | S | * | . | trans | -96.7 | 129.3 | 172.9 | -65.9 | -21.5 | 0 | 0 | 0 | 108.2 | V48 | N46-V48 PolarHBondContact O-N 3.45Š| ||
| 47 | A | 68 | Low | 77.7 | Confident | 68 Ų | 68 | 75.8 Ų | 75.8 | 56% | 0.562 | 48% | 0.476 | S | S | * | . | trans | -71.4 | 118.5 | 172 | 0 | 0 | 0 | 0 | 0 | 108.7 | F30 | F30-A47 HydrophobicContact CD2-CB 3.84Å; F30-A47 HydrophobicContact CE2-CB 4.29Å | ||
| 48 | V | 68.4 | Low | 77.9 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | trans | -108.4 | 120.1 | 176.6 | -171 | 0 | 0 | 0 | 0 | 107.5 | N46 G52 V53 | N46-V48 PolarHBondContact O-N 3.45Å; V48-G52 WeakPolarHBondContact CG1-O 3.49Å; V48-V53 HydrophobicContact CG1-CG2 4.34Å | ||
| 49 | G | 67.9 | Low | 78 | Confident | 40 Ų | 40 | 76.7 Ų | 76.7 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | trans | -73.9 | 177.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | D51 G52 | G49-D51 PolarHBondContact O-N 3.2Å; G49-D51 VanDerWaalsContact O-N 3.16Å; G49-G52 PolarHBondContact O-N 3.31Å | ||
| 50 | K | 64.6 | Low | 78.1 | Confident | 80 Ų | 80 | 80.8 Ų | 80.8 | 35% | 0.348 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -49.6 | -42.7 | 178.5 | -178.3 | 177.3 | -179.5 | -174.8 | 0 | 112.3 | V23 Q25 G52 V53 | V23-K50 HydrophobicContact CG2-CB 4.41Å; V23-K50 HydrophobicContact CG2-CG 3.84Å; Q25-K50 HydrophobicContact CG-CD 4.08Å; K50-G52 PolarHBondContact O-N 3.43Å; K50-V53 PolarHBondContact O-N 3.17Å |
| 51 | D | 68.8 | Low | 78.2 | Confident | 165 Ų | 165 | 81.7 Ų | 81.7 | 88% | 0.882 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -75.6 | -6.6 | -175.8 | -53 | -37.4 | 0 | 0 | 0 | 113.9 | G49 | G49-D51 PolarHBondContact O-N 3.2Å; G49-D51 VanDerWaalsContact O-N 3.16Å |
| 52 | G | 76.4 | Confident | 78.4 | Confident | 47 Ų | 47 | 77.7 Ų | 77.7 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -100.3 | -4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V48 G49 K50 A54 | V48-G52 WeakPolarHBondContact CG1-O 3.49Å; G49-G52 PolarHBondContact O-N 3.31Å; K50-G52 PolarHBondContact O-N 3.43Å; G52-A54 PolarHBondContact O-N 3.06Å |
| 53 | V | 84 | Confident | 78.8 | Confident | 50 Ų | 50 | 78.8 Ų | 78.8 | 30% | 0.303 | 49% | 0.485 | S | S | . | . | trans | -87.8 | 99.6 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | V23 V48 K50 L56 | V23-V53 HydrophobicContact CG1-CB 4.37Å; V23-V53 HydrophobicContact CG1-CG1 3.99Å; V23-V53 HydrophobicContact CG2-CB 4.13Å; V23-V53 HydrophobicContact CG2-CG2 4.16Å; V48-V53 HydrophobicContact CG1-CG2 4.34Å; K50-V53 PolarHBondContact O-N 3.17Å; V53-L56 HydrophobicContact CG1-CD2 4.28Å | ||
| 54 | A | 84.4 | Confident | 79 | Confident | 88 Ų | 88 | 78.6 Ų | 78.6 | 73% | 0.727 | 49% | 0.485 | S | S | * | . | trans | -91.2 | -23.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I21 G52 | I21-A54 VanDerWaalsContact CD1-C 3.48Å; I21-A54 VanDerWaalsContact CD1-O 3.26Å; I21-A54 WeakPolarHBondContact CD1-O 3.48Å; G52-A54 PolarHBondContact O-N 3.06Å | ||
| 55 | V | 87.8 | Confident | 79.6 | Confident | 101 Ų | 101 | 78.4 Ų | 78.4 | 61% | 0.612 | 47% | 0.467 | S | S | * | . | trans | -143.2 | 138.1 | -173.9 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | L57 | V55-L57 HydrophobicContact CG1-CD2 3.96Å; V55-L57 HydrophobicContact CG1-CG 4.4Å | ||
| 56 | L | 87.4 | Confident | 80.2 | Confident | 121 Ų | 121 | 81.9 Ų | 81.9 | 63% | 0.634 | 48% | 0.483 | S | S | * | . | trans | -104.7 | 124.2 | 164.8 | -66.9 | 176.8 | 0 | 0 | 0 | 108.5 | I21 V23 V53 | I21-L56 HydrophobicContact CD1-CG 4.42Å; I21-L56 HydrophobicContact CG2-CD1 3.62Å; I21-L56 HydrophobicContact CG2-CG 3.86Å; V23-L56 HydrophobicContact CG1-CD2 4.15Å; V53-L56 HydrophobicContact CG1-CD2 4.28Å | ||
| 57 | L | 86.3 | Confident | 81.2 | Confident | 77 Ų | 77 | 81 Ų | 81 | 40% | 0.403 | 47% | 0.474 | S | S | . | . | trans | -94.1 | 126.5 | 177.7 | -62.8 | 171.9 | 0 | 0 | 0 | 109.4 | V55 I61 F87 | V55-L57 HydrophobicContact CG1-CD2 3.96Å; V55-L57 HydrophobicContact CG1-CG 4.4Å; L57-I61 HydrophobicContact CD2-CD1 4.35Å; L57-F87 HydrophobicContact CD1-CD2 3.68Å; L57-F87 HydrophobicContact CD1-CE2 3.59Å | ||
| 58 | G | 85.7 | Confident | 82.3 | Confident | 30 Ų | 30 | 82.6 Ų | 82.6 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | trans | -89.6 | 160 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D60 I61 H65 | G58-D60 WeakPolarHBondContact CA-OD1 3.3Å; G58-D60 PolarHBondContact O-N 2.8Å; G58-I61 PolarHBondContact O-N 3.46Å; G58-H65 PolarHBondContact O-CE1 3.19Å | ||
| 59 | M | 81.5 | Confident | 83.4 | Confident | 132 Ų | 132 | 85.8 Ų | 85.8 | 65% | 0.65 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -7.5 | 178.1 | -73.6 | -64 | -54.3 | 0 | 0 | 113.8 | V62 H65 | M59-V62 WeakPolarHBondContact O-CG2 3.27Å; M59-H65 HydrophobicContact SD-CB 4.32Å |
| 60 | D | 82.3 | Confident | 84.6 | Confident | 130 Ų | 130 | 86.1 Ų | 86.1 | 70% | 0.695 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -27.9 | 170.7 | 56 | -44.4 | 0 | 0 | 0 | 112.2 | G58 V62 | G58-D60 WeakPolarHBondContact CA-OD1 3.3Å; G58-D60 PolarHBondContact O-N 2.8Å; D60-V62 PolarHBondContact O-N 3.3Å |
| 61 | I | 85.6 | Confident | 85.8 | Confident | 20 Ų | 20 | 84 Ų | 84 | 10% | 0.103 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -93.9 | 76.6 | 169.9 | -47.8 | 165.6 | 0 | 0 | 0 | 108.4 | F10 V12 L57 G58 E63 A64 H65 | F10-I61 HydrophobicContact CB-CG2 4.3Å; V12-I61 HydrophobicContact CB-CD1 4.4Å; V12-I61 HydrophobicContact CG1-CD1 4.07Å; V12-I61 HydrophobicContact CG2-CD1 3.49Å; V12-I61 VanDerWaalsContact CG2-CD1 3.49Å; V12-I61 HydrophobicContact CG2-CG1 4.47Å; L57-I61 HydrophobicContact CD2-CD1 4.35Å; G58-I61 PolarHBondContact O-N 3.46Å; I61-E63 VanDerWaalsContact C-N 3.28Å; I61-E63 PolarHBondContact O-N 3.34Å; I61-A64 HydrophobicContact CB-CB 4.15Å; I61-A64 HydrophobicContact CG2-CB 3.59Å; I61-A64 WeakPolarHBondContact O-CB 3.3Å; I61-A64 PolarHBondContact O-N 3.01Å; I61-H65 PolarHBondContact O-ND1 3.18Å |
| 62 | V | 84.4 | Confident | 86.8 | Confident | 90 Ų | 90 | 82.2 Ų | 82.2 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -60.9 | -38.4 | -173.4 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | M59 D60 A64 H65 E66 | M59-V62 WeakPolarHBondContact O-CG2 3.27Å; D60-V62 PolarHBondContact O-N 3.3Å; V62-A64 VanDerWaalsContact C-N 3.26Å; V62-A64 PolarHBondContact O-N 2.98Å; V62-H65 CarbonylContact O-C 3.56Å; V62-H65 WeakPolarHBondContact O-CA 3.47Å; V62-H65 PolarHBondContact O-N 3.27Å; V62-E66 PolarHBondContact O-N 3.4Å |
| 63 | E | 86.6 | Confident | 87.3 | Confident | 102 Ų | 102 | 80.8 Ų | 80.8 | 48% | 0.477 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -63.5 | -32.3 | -178.4 | -59.9 | 85.9 | 165.9 | 0 | 0 | 112.1 | F10 I61 H65 E66 P86 | F10-E63 HydrophobicContact CD1-CB 3.86Å; F10-E63 HydrophobicContact CE1-CB 3.55Å; I61-E63 VanDerWaalsContact C-N 3.28Å; I61-E63 PolarHBondContact O-N 3.34Å; E63-H65 PolarHBondContact O-N 3.37Å; E63-E66 WeakPolarHBondContact O-CB 3.49Å; E63-E66 PolarHBondContact O-N 3.28Å; E63-P86 WeakPolarHBondContact O-CG 3.31Å |
| 64 | A | 87.8 | Confident | 87.3 | Confident | 4 Ų | 4 | 82.6 Ų | 82.6 | 3% | 0.033 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -68.9 | -19.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | F10 I61 V62 F87 | F10-A64 HydrophobicContact CD2-CB 4.31Å; F10-A64 HydrophobicContact CE2-CB 4.38Å; I61-A64 HydrophobicContact CB-CB 4.15Å; I61-A64 HydrophobicContact CG2-CB 3.59Å; I61-A64 WeakPolarHBondContact O-CB 3.3Å; I61-A64 PolarHBondContact O-N 3.01Å; V62-A64 VanDerWaalsContact C-N 3.26Å; V62-A64 PolarHBondContact O-N 2.98Å; A64-F87 HydrophobicContact CB-CD2 4.46Å; A64-F87 HydrophobicContact CB-CE2 3.82Å |
| 65 | H | 89 | Confident | 87.3 | Confident | 58 Ų | 58 | 89.8 Ų | 89.8 | 27% | 0.269 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -102.9 | 5.2 | -179.8 | -63.6 | 80.4 | 0 | 0 | 0 | 112.9 | G58 M59 I61 V62 E63 Q67 | G58-H65 PolarHBondContact O-CE1 3.19Å; M59-H65 HydrophobicContact SD-CB 4.32Å; I61-H65 PolarHBondContact O-ND1 3.18Å; V62-H65 CarbonylContact O-C 3.56Å; V62-H65 WeakPolarHBondContact O-CA 3.47Å; V62-H65 PolarHBondContact O-N 3.27Å; E63-H65 PolarHBondContact O-N 3.37Å; H65-Q67 PolarHBondContact O-N 3.2Å |
| 66 | E | 88.1 | Confident | 87.1 | Confident | 93 Ų | 93 | 88.5 Ų | 88.5 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | trans | -55 | 134.2 | 176.3 | -82.3 | -177.8 | 176.8 | 0 | 0 | 111.5 | V62 E63 Y68 T85 P86 | V62-E66 PolarHBondContact O-N 3.4Å; E63-E66 WeakPolarHBondContact O-CB 3.49Å; E63-E66 PolarHBondContact O-N 3.28Å; E66-Y68 HydrophobicContact CB-CD1 4.41Å; E66-Y68 HydrophobicContact CB-CE1 3.9Å; E66-Y68 WeakPolarHBondContact OE2-CE1 3.41Å; E66-T85 WeakPolarHBondContact O-CA 3.4Å; E66-P86 WeakPolarHBondContact O-CD 3.3Å | ||
| 67 | Q | 91.3 | Very high | 86.8 | Confident | 124 Ų | 124 | 86.6 Ų | 86.6 | 58% | 0.579 | 45% | 0.445 | S | S | * | . | trans | -101.1 | 96.6 | -174.9 | -55 | -172.1 | -0.4 | 0 | 0 | 109.8 | H65 V70 I83 | H65-Q67 PolarHBondContact O-N 3.2Å; Q67-V70 HydrophobicContact CB-CG2 4.3Å; Q67-I83 HydrophobicContact CB-CG2 3.85Å; Q67-I83 HydrophobicContact CG-CG2 3.57Å | ||
| 68 | Y | 90 | Very high | 86.6 | Confident | 101 Ų | 101 | 91 Ų | 91 | 40% | 0.396 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -73.7 | -33.4 | 178.7 | -62 | -21.4 | 0 | 0 | 0 | 112.7 | H8 E66 Q84 P86 | H8-Y68 AromaticContact CE1-CE2 3.8Å; H8-Y68 PolarHBondContact CE1-OH 2.95Å; E66-Y68 HydrophobicContact CB-CD1 4.41Å; E66-Y68 HydrophobicContact CB-CE1 3.9Å; E66-Y68 WeakPolarHBondContact OE2-CE1 3.41Å; Y68-Q84 PolarHBondContact N-O 2.85Å; Y68-P86 HydrophobicContact CE2-CB 4.37Å; Y68-P86 HydrophobicContact CE2-CG 4.05Å |
| 69 | R | 91.8 | Very high | 86.4 | Confident | 148 Ų | 148 | 90 Ų | 90 | 56% | 0.558 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 137.2 | 178.7 | -170.7 | 169.6 | 177.3 | 177.3 | 1.6 | 111.2 | I83 Q84 W89 | R69-I83 CarbonylContact O-C 3.54Å; R69-I83 WeakPolarHBondContact O-CA 3.37Å; R69-Q84 HydrophobicContact CB-CB 3.93Å; R69-Q84 PolarHBondContact O-N 2.92Å; R69-W89 HydrophobicContact CB-CH2 4.01Å; R69-W89 HydrophobicContact CG-CH2 3.98Å |
| 70 | V | 92.3 | Very high | 86.7 | Confident | 48 Ų | 48 | 83.7 Ų | 83.7 | 29% | 0.291 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.7 | 176.3 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | Q67 K72 R81 A82 I83 | Q67-V70 HydrophobicContact CB-CG2 4.3Å; V70-K72 HydrophobicContact CG1-CG 3.84Å; V70-R81 HydrophobicContact CG1-CB 4.41Å; V70-A82 CarbonylContact C-O 3.58Å; V70-A82 WeakPolarHBondContact CA-O 3.4Å; V70-I83 HydrophobicContact CG1-CG1 4.23Å; V70-I83 HydrophobicContact CG2-CG1 4.29Å; V70-I83 HydrophobicContact CG2-CG2 4.42Å |
| 71 | L | 90.6 | Very high | 87 | Confident | 34 Ų | 34 | 83 Ų | 83 | 18% | 0.178 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 108.8 | 170.9 | -56.8 | 178.6 | 0 | 0 | 0 | 108.4 | Q39 I43 R81 A82 W89 | Q39-L71 WeakPolarHBondContact O-CD1 3.3Å; I43-L71 HydrophobicContact CG2-CD1 3.67Å; L71-R81 VanDerWaalsContact O-CA 3.29Å; L71-R81 WeakPolarHBondContact O-CA 3.35Å; L71-A82 HydrophobicContact CB-CB 4.02Å; L71-A82 HydrophobicContact CD1-CB 4.2Å; L71-A82 HydrophobicContact CG-CB 4.42Å; L71-A82 PolarHBondContact N-O 2.8Å; L71-A82 PolarHBondContact O-N 2.86Å; L71-W89 HydrophobicContact CD1-CH2 3.72Å; L71-W89 HydrophobicContact CD1-CZ2 4.49Å; L71-W89 HydrophobicContact CD1-CZ3 3.77Å; L71-W89 HydrophobicContact CD2-CH2 4.47Å; L71-W89 HydrophobicContact CG-CH2 3.84Å; L71-W89 HydrophobicContact CG-CZ3 3.78Å |
| 72 | K | 89.2 | Confident | 87.2 | Confident | 129 Ų | 129 | 82.1 Ų | 82.1 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 146 | -178.4 | -60.4 | 177.5 | -175 | 171.5 | 0 | 110 | V70 | V70-K72 HydrophobicContact CG1-CG 3.84Š|
| 73 | P | 86.5 | Confident | 87.5 | Confident | 17 Ų | 17 | 78.7 Ų | 78.7 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 164.3 | 167.2 | 33.6 | -38 | 0 | 0 | 0 | 110.7 | V77 A79 | P73-V77 HydrophobicContact CB-CB 4.41Å; P73-A79 HydrophobicContact CB-CB 3.82Å; P73-A79 HydrophobicContact CG-CB 4.29Å |
| 74 | P | 84.3 | Confident | 87.7 | Confident | 88 Ų | 88 | 77 Ų | 77 | 57% | 0.571 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 150.4 | 170.7 | -22.9 | 33.1 | 0 | 0 | 0 | 111.8 | G76 V77 | P74-G76 PolarHBondContact O-N 2.94Å; P74-V77 HydrophobicContact CB-CG2 3.97Å; P74-V77 HydrophobicContact CG-CG2 4.41Å; P74-V77 WeakPolarHBondContact O-CB 3.41Å; P74-V77 PolarHBondContact O-N 3.06Å; P74-V77 VanDerWaalsContact O-N 3.13Å |
| 75 | Y | 84.8 | Confident | 87.8 | Confident | 239 Ų | 239 | 77.6 Ų | 77.6 | 94% | 0.937 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 136.9 | -178.8 | -169.7 | -95.5 | 0 | 0 | 0 | 111.3 | V77 | Y75-V77 VanDerWaalsContact C-N 3.26Å; Y75-V77 PolarHBondContact O-N 2.97Å |
| 76 | G | 82.8 | Confident | 87.8 | Confident | 74 Ų | 74 | 75.4 Ų | 75.4 | 76% | 0.763 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -11.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P74 | P74-G76 PolarHBondContact O-N 2.94Š|
| 77 | V | 82.2 | Confident | 87.7 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 49% | 0.485 | 37% | 0.371 | S | S | . | . | trans | -85.4 | 122.9 | -179.6 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | P73 P74 Y75 A79 | P73-V77 HydrophobicContact CB-CB 4.41Å; P74-V77 HydrophobicContact CB-CG2 3.97Å; P74-V77 HydrophobicContact CG-CG2 4.41Å; P74-V77 WeakPolarHBondContact O-CB 3.41Å; P74-V77 PolarHBondContact O-N 3.06Å; P74-V77 VanDerWaalsContact O-N 3.13Å; Y75-V77 VanDerWaalsContact C-N 3.26Å; Y75-V77 PolarHBondContact O-N 2.97Å; V77-A79 VanDerWaalsContact C-N 3.32Å; V77-A79 HydrophobicContact CG1-CB 4.09Å; V77-A79 PolarHBondContact O-N 3.47Å | ||
| 78 | K | 81.3 | Confident | 87.6 | Confident | 170 Ų | 170 | 72 Ų | 72 | 74% | 0.739 | 36% | 0.357 | S | S | * | . | trans | -75.9 | 82.6 | 171.3 | -71.5 | -173.9 | -179.6 | 178.2 | 0 | 110.5 | ||||
| 79 | A | 83.1 | Confident | 87.5 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | trans | -135.9 | 158.7 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | W37 P73 V77 | W37-A79 HydrophobicContact CD2-CB 4.29Å; W37-A79 HydrophobicContact CZ2-CB 4.38Å; P73-A79 HydrophobicContact CB-CB 3.82Å; P73-A79 HydrophobicContact CG-CB 4.29Å; V77-A79 VanDerWaalsContact C-N 3.32Å; V77-A79 HydrophobicContact CG1-CB 4.09Å; V77-A79 PolarHBondContact O-N 3.47Å | ||
| 80 | P | 86.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -78.2 | 167.5 | 178.9 | 34.7 | -35.7 | 0 | 0 | 0 | 111.4 | W37 I91 V92 M95 | W37-P80 HydrophobicContact CD2-CG 4.42Å; W37-P80 VanDerWaalsContact CE3-CD 3.49Å; W37-P80 HydrophobicContact CE3-CG 3.51Å; W37-P80 HydrophobicContact CH2-CG 3.21Å; W37-P80 HydrophobicContact CZ2-CG 4.13Å; W37-P80 HydrophobicContact CZ3-CB 4.35Å; W37-P80 HydrophobicContact CZ3-CG 2.85Å; P80-I91 HydrophobicContact CB-CG2 3.54Å; P80-I91 HydrophobicContact CG-CG2 3.72Å; P80-V92 WeakPolarHBondContact CA-O 3.46Å; P80-V92 WeakPolarHBondContact CB-O 3.35Å; P80-M95 HydrophobicContact CG-CG 4.44Å | ||
| 81 | R | 88.6 | Confident | 87 | Confident | 116 Ų | 116 | 65 Ų | 65 | 44% | 0.438 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 141.6 | -177.9 | -59.2 | 178.6 | 179 | -144.8 | -3.1 | 108.8 | V70 L71 I91 V92 | V70-R81 HydrophobicContact CG1-CB 4.41Å; L71-R81 VanDerWaalsContact O-CA 3.29Å; L71-R81 WeakPolarHBondContact O-CA 3.35Å; R81-I91 CarbonylContact O-C 3.57Å; R81-I91 WeakPolarHBondContact O-CA 3.43Å; R81-V92 PolarHBondContact N-O 3.01Å; R81-V92 PolarHBondContact O-N 2.98Å |
| 82 | A | 89.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | L40 I43 V70 L71 W89 C90 | L40-A82 HydrophobicContact CD2-CB 3.47Å; L40-A82 VanDerWaalsContact CD2-CB 3.47Å; I43-A82 HydrophobicContact CD1-CB 3.7Å; V70-A82 CarbonylContact C-O 3.58Å; V70-A82 WeakPolarHBondContact CA-O 3.4Å; L71-A82 HydrophobicContact CB-CB 4.02Å; L71-A82 HydrophobicContact CD1-CB 4.2Å; L71-A82 HydrophobicContact CG-CB 4.42Å; L71-A82 PolarHBondContact N-O 2.8Å; L71-A82 PolarHBondContact O-N 2.86Å; A82-W89 HydrophobicContact CB-CE3 3.85Å; A82-W89 HydrophobicContact CB-CZ3 4.1Å; A82-C90 CarbonylContact C-O 3.54Å; A82-C90 WeakPolarHBondContact CA-O 3.49Å |
| 83 | I | 91.4 | Very high | 86.4 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122 | -178.9 | -58.2 | 177.6 | 0 | 0 | 0 | 107.5 | Q67 R69 V70 T85 W89 C90 V92 | Q67-I83 HydrophobicContact CB-CG2 3.85Å; Q67-I83 HydrophobicContact CG-CG2 3.57Å; R69-I83 CarbonylContact O-C 3.54Å; R69-I83 WeakPolarHBondContact O-CA 3.37Å; V70-I83 HydrophobicContact CG1-CG1 4.23Å; V70-I83 HydrophobicContact CG2-CG1 4.29Å; V70-I83 HydrophobicContact CG2-CG2 4.42Å; I83-T85 HydrophobicContact CG2-CG2 4.25Å; I83-W89 CarbonylContact O-C 3.56Å; I83-W89 WeakPolarHBondContact O-CA 3.4Å; I83-C90 PolarHBondContact N-O 2.57Å; I83-C90 PolarHBondContact O-N 3.35Å; I83-V92 HydrophobicContact CD1-CB 4.29Å; I83-V92 HydrophobicContact CD1-CG2 3.96Å |
| 84 | Q | 91.2 | Very high | 85.8 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 30% | 0.304 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 120.1 | 172.9 | -169.7 | 175.8 | 2.4 | 0 | 0 | 108.8 | Y68 R69 W89 | Y68-Q84 PolarHBondContact N-O 2.85Å; R69-Q84 HydrophobicContact CB-CB 3.93Å; R69-Q84 PolarHBondContact O-N 2.92Å; Q84-W89 HydrophobicContact CB-CD2 3.94Å; Q84-W89 HydrophobicContact CB-CE3 3.78Å; Q84-W89 HydrophobicContact CB-CH2 3.75Å; Q84-W89 HydrophobicContact CB-CZ2 3.87Å; Q84-W89 HydrophobicContact CB-CZ3 3.69Å; Q84-W89 HydrophobicContact CG-CD2 4.3Å; Q84-W89 HydrophobicContact CG-CZ2 4.14Å |
| 85 | T | 89.5 | Confident | 85 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 10% | 0.104 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 171.5 | 176.2 | 70.6 | 0 | 0 | 0 | 0 | 109.4 | E66 I83 F87 G88 | E66-T85 WeakPolarHBondContact O-CA 3.4Å; I83-T85 HydrophobicContact CG2-CG2 4.25Å; T85-F87 PolarHBondContact O-N 3.43Å; T85-F87 VanDerWaalsContact O-N 3.11Å; T85-F87 PolarHBondContact OG1-N 2.96Å; T85-G88 PolarHBondContact N-O 3.05Å; T85-G88 PolarHBondContact O-N 2.79Å; T85-G88 PolarHBondContact OG1-N 2.85Å; T85-G88 PolarHBondContact OG1-O 3.16Å |
| 86 | P | 88.5 | Confident | 84 | Confident | 13 Ų | 13 | 60 Ų | 60 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -29.1 | 171.3 | -27.6 | 33.9 | 0 | 0 | 0 | 114.5 | H8 F10 E63 E66 Y68 | H8-P86 HydrophobicContact CB-CB 3.94Å; H8-P86 PolarHBondContact CD2-O 3.38Å; F10-P86 HydrophobicContact CE2-CB 3.73Å; F10-P86 HydrophobicContact CE2-CG 4.17Å; F10-P86 HydrophobicContact CZ-CB 3.68Å; F10-P86 HydrophobicContact CZ-CG 3.73Å; E63-P86 WeakPolarHBondContact O-CG 3.31Å; E66-P86 WeakPolarHBondContact O-CD 3.3Å; Y68-P86 HydrophobicContact CE2-CB 4.37Å; Y68-P86 HydrophobicContact CE2-CG 4.05Å |
| 87 | F | 87 | Confident | 83 | Confident | 118 Ų | 118 | 58.3 Ų | 58.3 | 52% | 0.518 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.2 | -179.2 | -64.3 | -62.4 | 0 | 0 | 0 | 114.2 | F10 L57 A64 T85 | F10-F87 HydrophobicContact CD2-CE1 4.42Å; F10-F87 AromaticContact CD2-CE2 3.91Å; F10-F87 HydrophobicContact CD2-CE2 3.91Å; F10-F87 AromaticContact CD2-CZ 3.56Å; F10-F87 HydrophobicContact CD2-CZ 3.56Å; F10-F87 HydrophobicContact CE2-CE1 4.44Å; F10-F87 AromaticContact CE2-CE2 3.92Å; F10-F87 HydrophobicContact CE2-CE2 3.92Å; F10-F87 AromaticContact CE2-CZ 3.8Å; F10-F87 HydrophobicContact CE2-CZ 3.8Å; L57-F87 HydrophobicContact CD1-CD2 3.68Å; L57-F87 HydrophobicContact CD1-CE2 3.59Å; A64-F87 HydrophobicContact CB-CD2 4.46Å; A64-F87 HydrophobicContact CB-CE2 3.82Å; T85-F87 PolarHBondContact O-N 3.43Å; T85-F87 VanDerWaalsContact O-N 3.11Å; T85-F87 PolarHBondContact OG1-N 2.96Å |
| 88 | G | 87.4 | Confident | 81.9 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.2 | -160.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T85 | T85-G88 PolarHBondContact N-O 3.05Å; T85-G88 PolarHBondContact O-N 2.79Å; T85-G88 PolarHBondContact OG1-N 2.85Å; T85-G88 PolarHBondContact OG1-O 3.16Å |
| 89 | W | 89.3 | Confident | 80.8 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 20% | 0.197 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.7 | -172.9 | -69.8 | 95.7 | 0 | 0 | 0 | 112.5 | I43 L45 R69 L71 A82 I83 Q84 | I43-W89 HydrophobicContact CB-CB 4.49Å; I43-W89 HydrophobicContact CB-CD2 4.03Å; I43-W89 HydrophobicContact CB-CG 3.9Å; I43-W89 HydrophobicContact CD1-CB 4.46Å; I43-W89 HydrophobicContact CG2-CD2 3.68Å; I43-W89 HydrophobicContact CG2-CE3 4.09Å; I43-W89 HydrophobicContact CG2-CG 4.11Å; I43-W89 HydrophobicContact CG2-CH2 4.21Å; I43-W89 HydrophobicContact CG2-CZ2 3.84Å; I43-W89 HydrophobicContact CG2-CZ3 4.34Å; L45-W89 HydrophobicContact CD2-CB 3.74Å; L45-W89 WeakPolarHBondContact CD2-O 3.26Å; L45-W89 HydrophobicContact CG-CB 4.36Å; R69-W89 HydrophobicContact CB-CH2 4.01Å; R69-W89 HydrophobicContact CG-CH2 3.98Å; L71-W89 HydrophobicContact CD1-CH2 3.72Å; L71-W89 HydrophobicContact CD1-CZ2 4.49Å; L71-W89 HydrophobicContact CD1-CZ3 3.77Å; L71-W89 HydrophobicContact CD2-CH2 4.47Å; L71-W89 HydrophobicContact CG-CH2 3.84Å; L71-W89 HydrophobicContact CG-CZ3 3.78Å; A82-W89 HydrophobicContact CB-CE3 3.85Å; A82-W89 HydrophobicContact CB-CZ3 4.1Å; I83-W89 CarbonylContact O-C 3.56Å; I83-W89 WeakPolarHBondContact O-CA 3.4Å; Q84-W89 HydrophobicContact CB-CD2 3.94Å; Q84-W89 HydrophobicContact CB-CE3 3.78Å; Q84-W89 HydrophobicContact CB-CH2 3.75Å; Q84-W89 HydrophobicContact CB-CZ2 3.87Å; Q84-W89 HydrophobicContact CB-CZ3 3.69Å; Q84-W89 HydrophobicContact CG-CD2 4.3Å; Q84-W89 HydrophobicContact CG-CZ2 4.14Å |
| 90 | C | 87.4 | Confident | 79.7 | Confident | 58 Ų | 58 | 58 Ų | 58 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.4 | 172.5 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | A82 I83 | A82-C90 CarbonylContact C-O 3.54Å; A82-C90 WeakPolarHBondContact CA-O 3.49Å; I83-C90 PolarHBondContact N-O 2.57Å; I83-C90 PolarHBondContact O-N 3.35Å |
| 91 | I | 85.7 | Confident | 78.5 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 21% | 0.205 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.6 | 172.9 | -58.9 | -164.3 | 0 | 0 | 0 | 109.5 | F30 L33 L40 L45 P80 R81 | F30-I91 HydrophobicContact CD1-CD1 3.98Å; F30-I91 HydrophobicContact CE1-CD1 3.65Å; F30-I91 HydrophobicContact CE1-CG1 4.23Å; L33-I91 HydrophobicContact CD1-CD1 4.32Å; L40-I91 HydrophobicContact CD1-CD1 3.65Å; L45-I91 HydrophobicContact CD1-CD1 3.55Å; L45-I91 HydrophobicContact CD1-CG1 3.77Å; P80-I91 HydrophobicContact CB-CG2 3.54Å; P80-I91 HydrophobicContact CG-CG2 3.72Å; R81-I91 CarbonylContact O-C 3.57Å; R81-I91 WeakPolarHBondContact O-CA 3.43Å |
| 92 | V | 85.1 | Confident | 76.9 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.8 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | P80 R81 I83 | P80-V92 WeakPolarHBondContact CA-O 3.46Å; P80-V92 WeakPolarHBondContact CB-O 3.35Å; R81-V92 PolarHBondContact N-O 3.01Å; R81-V92 PolarHBondContact O-N 2.98Å; I83-V92 HydrophobicContact CD1-CB 4.29Å; I83-V92 HydrophobicContact CD1-CG2 3.96Å |
| 93 | G | 82.5 | Confident | 75.2 | Confident | 44 Ų | 44 | 68 Ų | 68 | 45% | 0.454 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 136.8 | -179.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M95 | G93-M95 PolarHBondContact O-N 2.88Š|
| 94 | P | 73.4 | Confident | 73.4 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 34% | 0.338 | 42% | 0.419 | S | S | . | . | trans | -68.2 | 130 | -177.4 | 28.6 | -33.6 | 0 | 0 | 0 | 110.5 | Y96 | P94-Y96 HydrophobicContact CB-CD2 4.15Å; P94-Y96 HydrophobicContact CB-CE1 4.32Å; P94-Y96 HydrophobicContact CB-CE2 3.38Å; P94-Y96 VanDerWaalsContact CB-CZ 3.46Å; P94-Y96 WeakPolarHBondContact CB-OH 3.48Å; P94-Y96 HydrophobicContact CG-CE2 3.96Å | ||
| 95 | M | 68.3 | Low | 71.5 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 29% | 0.286 | 45% | 0.445 | S | S | . | . | trans | -110.6 | 120.5 | 166.9 | -56.8 | -158.2 | -53.2 | 0 | 0 | 107.6 | V28 L33 W37 P80 G93 I100 | V28-M95 HydrophobicContact CG1-CE 4Å; V28-M95 HydrophobicContact CG1-SD 4.3Å; V28-M95 HydrophobicContact CG2-CE 3.73Å; L33-M95 HydrophobicContact CD1-SD 3.91Å; W37-M95 HydrophobicContact CH2-CG 4.37Å; P80-M95 HydrophobicContact CG-CG 4.44Å; G93-M95 PolarHBondContact O-N 2.88Å; M95-I100 VanDerWaalsContact C-CD1 3.46Å; M95-I100 HydrophobicContact CB-CD1 3.36Å; M95-I100 HydrophobicContact CB-CG1 4.48Å; M95-I100 HydrophobicContact CE-CD1 4.15Å; M95-I100 HydrophobicContact CE-CG1 4.4Å; M95-I100 WeakPolarHBondContact O-CD1 3.41Å | ||
| 96 | Y | 63.5 | Low | 69.8 | Low | 165 Ų | 165 | 85.8 Ų | 85.8 | 65% | 0.647 | 47% | 0.473 | S | S | * | . | trans | -121.5 | 136.8 | 176.6 | -53.7 | -70.1 | 0 | 0 | 0 | 108.3 | P94 | P94-Y96 HydrophobicContact CB-CD2 4.15Å; P94-Y96 HydrophobicContact CB-CE1 4.32Å; P94-Y96 HydrophobicContact CB-CE2 3.38Å; P94-Y96 VanDerWaalsContact CB-CZ 3.46Å; P94-Y96 WeakPolarHBondContact CB-OH 3.48Å; P94-Y96 HydrophobicContact CG-CE2 3.96Å | ||
| 97 | G | 61.8 | Low | 67.5 | Low | 39 Ų | 39 | 95.3 Ų | 95.3 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | S | Bend | trans | 143.9 | 170.4 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | F99 I100 | G97-F99 PolarHBondContact O-N 2.87Å; G97-I100 PolarHBondContact O-N 3.25Å |
| 98 | P | 57.9 | Low | 65.5 | Low | 119 Ų | 119 | 95.6 Ų | 95.6 | 77% | 0.773 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -8.7 | -178.8 | 27.7 | -35 | 0 | 0 | 0 | 113.7 | I100 | P98-I100 PolarHBondContact O-N 3.5Š|
| 99 | F | 58.7 | Low | 63.6 | Low | 92 Ų | 92 | 103.2 Ų | 103.2 | 40% | 0.404 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -0.1 | 179.9 | -44.3 | -70.9 | 0 | 0 | 0 | 113.6 | C32 L36 G97 | C32-F99 HydrophobicContact CB-CD1 4.3Å; C32-F99 WeakPolarHBondContact SG-CD1 3.37Å; C32-F99 WeakPolarHBondContact SG-CE1 3.42Å; L36-F99 HydrophobicContact CD1-CD2 3.79Å; L36-F99 HydrophobicContact CD1-CE2 3.47Å; L36-F99 VanDerWaalsContact CD1-CE2 3.47Å; L36-F99 HydrophobicContact CD1-CZ 4.07Å; L36-F99 HydrophobicContact CD2-CE2 4.43Å; G97-F99 PolarHBondContact O-N 2.87Å |
| 100 | I | 61.1 | Low | 61.5 | Low | 42 Ų | 42 | 111.9 Ų | 111.9 | 22% | 0.215 | 57% | 0.572 | C | S | . | * | S | Bend | trans | -120.2 | 120.9 | 178.5 | -49.8 | 169.7 | 0 | 0 | 0 | 107.3 | M95 G97 P98 | M95-I100 VanDerWaalsContact C-CD1 3.46Å; M95-I100 HydrophobicContact CB-CD1 3.36Å; M95-I100 HydrophobicContact CB-CG1 4.48Å; M95-I100 HydrophobicContact CE-CD1 4.15Å; M95-I100 HydrophobicContact CE-CG1 4.4Å; M95-I100 WeakPolarHBondContact O-CD1 3.41Å; G97-I100 PolarHBondContact O-N 3.25Å; P98-I100 PolarHBondContact O-N 3.5Å |
| 101 | N | 60.5 | Low | 59.7 | Low | 111 Ų | 111 | 117 Ų | 117 | 59% | 0.594 | 59% | 0.594 | S | S | * | * | trans | -54.6 | 128.7 | 175.8 | -79.7 | -20.6 | 0 | 0 | 0 | 110.5 | C103 | N101-C103 PolarHBondContact O-N 3Š| ||
| 102 | P | 55.6 | Low | 57.8 | Low | 133 Ų | 133 | 117.3 Ų | 117.3 | 86% | 0.864 | 61% | 0.608 | S | S | * | * | trans | -61.9 | 132 | -178.2 | 22.7 | -31.2 | 0 | 0 | 0 | 110.6 | ||||
| 103 | C | 53.1 | Low | 56.1 | Low | 81 Ų | 81 | 122.3 Ų | 122.3 | 55% | 0.547 | 63% | 0.626 | S | S | . | * | trans | -141.4 | 146.7 | -177.1 | -175 | 0 | 0 | 0 | 0 | 111.1 | N101 T105 | N101-C103 PolarHBondContact O-N 3Å; C103-T105 PolarHBondContact O-N 3.37Å | ||
| 104 | K | 53.9 | Low | 54.4 | Low | 162 Ų | 162 | 124.9 Ų | 124.9 | 70% | 0.704 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120.4 | 176.4 | -68.2 | -177.4 | 179.4 | -179.9 | 0 | 109.8 | Y106 | K104-Y106 HydrophobicContact CB-CE2 3.91Å; K104-Y106 WeakPolarHBondContact O-CD2 3.29Å; K104-Y106 PolarHBondContact O-N 3.43Å |
| 105 | T | 52 | Low | 53.6 | Low | 136 Ų | 136 | 128.6 Ų | 128.6 | 83% | 0.834 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 116.4 | 169.6 | 19.9 | 0 | 0 | 0 | 0 | 109.3 | C103 | C103-T105 PolarHBondContact O-N 3.37Š|
| 106 | Y | 52.2 | Low | 52.9 | Low | 178 Ų | 178 | 131.7 Ų | 131.7 | 70% | 0.698 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 120.4 | 168.1 | -63.9 | -84.8 | 0 | 0 | 0 | 108.5 | K104 V108 | K104-Y106 HydrophobicContact CB-CE2 3.91Å; K104-Y106 WeakPolarHBondContact O-CD2 3.29Å; K104-Y106 PolarHBondContact O-N 3.43Å; Y106-V108 PolarHBondContact O-N 3.02Å |
| 107 | R | 40.8 | Very low | 53 | Low | 212 Ų | 212 | 128.4 Ų | 128.4 | 80% | 0.8 | 66% | 0.662 | S | S | * | * | trans | -85 | 103 | 164.8 | -77.1 | -175.5 | -179.7 | 170.9 | 1.2 | 107.4 | Y109 | R107-Y109 HydrophobicContact CB-CE2 4.15Š| ||
| 108 | V | 44.7 | Very low | 53.6 | Low | 124 Ų | 124 | 131.4 Ų | 131.4 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | trans | -91.1 | 112.8 | 174 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | Y106 | Y106-V108 PolarHBondContact O-N 3.02Š| ||
| 109 | Y | 48.6 | Very low | 54.4 | Low | 187 Ų | 187 | 131.6 Ų | 131.6 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | trans | -87.6 | 103.8 | 165.9 | -63.6 | -88.5 | 0 | 0 | 0 | 107.2 | R107 I111 | R107-Y109 HydrophobicContact CB-CE2 4.15Å; Y109-I111 PolarHBondContact O-N 3.27Å | ||
| 110 | R | 43.9 | Very low | 55.1 | Low | 234 Ų | 234 | 130.6 Ų | 130.6 | 88% | 0.883 | 66% | 0.664 | S | S | * | * | trans | -83.3 | 102.7 | 170.4 | -165.2 | -176.5 | -166 | -167.4 | 4 | 107.4 | G112 | R110-G112 VanDerWaalsContact C-N 3.33Å; R110-G112 PolarHBondContact O-N 2.87Å; R110-G112 VanDerWaalsContact O-N 3.17Å | ||
| 111 | I | 49.8 | Very low | 56.1 | Low | 165 Ų | 165 | 132 Ų | 132 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | trans | -78.5 | 94 | 163.5 | -59.9 | 172.3 | 0 | 0 | 0 | 105.1 | Y109 Q113 | Y109-I111 PolarHBondContact O-N 3.27Å; I111-Q113 PolarHBondContact O-N 3.43Å | ||
| 112 | G | 46.8 | Very low | 57.1 | Low | 48 Ų | 48 | 132 Ų | 132 | 50% | 0.495 | 67% | 0.671 | S | S | . | * | trans | -73.3 | 115.4 | 168 | 0 | 0 | 0 | 0 | 0 | 107.9 | R110 T114 | R110-G112 VanDerWaalsContact C-N 3.33Å; R110-G112 PolarHBondContact O-N 2.87Å; R110-G112 VanDerWaalsContact O-N 3.17Å; G112-T114 PolarHBondContact O-N 3.06Å | ||
| 113 | Q | 48.8 | Very low | 58.3 | Low | 186 Ų | 186 | 128.8 Ų | 128.8 | 87% | 0.869 | 65% | 0.649 | S | S | * | * | trans | -72.6 | 81.8 | 159.7 | -166.9 | 178.7 | 16.1 | 0 | 0 | 106 | I111 V115 | I111-Q113 PolarHBondContact O-N 3.43Å; Q113-V115 PolarHBondContact O-N 3.04Å | ||
| 114 | T | 47.3 | Very low | 59.7 | Low | 98 Ų | 98 | 130.6 Ų | 130.6 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | trans | -68.1 | 124.1 | 169.8 | -37.5 | 0 | 0 | 0 | 0 | 105.8 | G112 Q116 | G112-T114 PolarHBondContact O-N 3.06Å; T114-Q116 HydrophobicContact CG2-CB 3.98Å; T114-Q116 PolarHBondContact O-N 2.85Å | ||
| 115 | V | 56.9 | Low | 61 | Low | 131 Ų | 131 | 130.1 Ų | 130.1 | 79% | 0.794 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -66.2 | 12.9 | 171.7 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | Q113 D117 | Q113-V115 PolarHBondContact O-N 3.04Å; V115-D117 VanDerWaalsContact C-N 3.25Å; V115-D117 PolarHBondContact O-N 2.82Å |
| 116 | Q | 53.7 | Low | 62.5 | Low | 122 Ų | 122 | 128.8 Ų | 128.8 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | trans | -77.6 | 85.5 | 165.4 | -99.7 | -176.8 | -55.7 | 0 | 0 | 108.5 | T114 D118 L119 | T114-Q116 HydrophobicContact CG2-CB 3.98Å; T114-Q116 PolarHBondContact O-N 2.85Å; Q116-D118 PolarHBondContact NE2-OD2 3.08Å; Q116-D118 PolarHBondContact O-N 3.38Å; Q116-D118 VanDerWaalsContact O-N 3.12Å; Q116-L119 PolarHBondContact O-N 3.37Å | ||
| 117 | D | 64.4 | Low | 63.7 | Low | 97 Ų | 97 | 129 Ų | 129 | 52% | 0.519 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -48.9 | -28.9 | 167.2 | -78.3 | -32.5 | 0 | 0 | 0 | 111.4 | V115 L119 T120 D121 | V115-D117 VanDerWaalsContact C-N 3.25Å; V115-D117 PolarHBondContact O-N 2.82Å; D117-L119 VanDerWaalsContact C-N 3.33Å; D117-L119 PolarHBondContact O-N 3.35Å; D117-L119 VanDerWaalsContact O-N 3.14Å; D117-T120 PolarHBondContact O-N 2.77Å; D117-T120 VanDerWaalsContact O-N 3.07Å; D117-D121 VanDerWaalsContact O-CB 3.31Å; D117-D121 WeakPolarHBondContact O-CB 3.31Å; D117-D121 PolarHBondContact O-N 2.79Å |
| 118 | D | 74.6 | Confident | 65.7 | Low | 102 Ų | 102 | 121.1 Ų | 121.1 | 55% | 0.545 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -45.9 | -47.4 | 179.8 | -58 | -18.7 | 0 | 0 | 0 | 114.4 | Q116 L122 | Q116-D118 PolarHBondContact NE2-OD2 3.08Å; Q116-D118 PolarHBondContact O-N 3.38Å; Q116-D118 VanDerWaalsContact O-N 3.12Å; D118-L122 WeakPolarHBondContact O-CB 3.44Å; D118-L122 WeakPolarHBondContact O-CD1 3.18Å; D118-L122 WeakPolarHBondContact O-CG 3.19Å; D118-L122 PolarHBondContact O-N 2.68Å |
| 119 | L | 74.7 | Confident | 67.4 | Low | 123 Ų | 123 | 119.3 Ų | 119.3 | 64% | 0.644 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.9 | -42 | -177.6 | -176.8 | 66.3 | 0 | 0 | 0 | 111.5 | Q116 D117 D121 L122 V123 | Q116-L119 PolarHBondContact O-N 3.37Å; D117-L119 VanDerWaalsContact C-N 3.33Å; D117-L119 PolarHBondContact O-N 3.35Å; D117-L119 VanDerWaalsContact O-N 3.14Å; L119-D121 VanDerWaalsContact C-N 3.28Å; L119-D121 PolarHBondContact O-N 2.92Å; L119-L122 PolarHBondContact O-N 2.77Å; L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 3Å |
| 120 | T | 74.2 | Confident | 68.8 | Low | 71 Ų | 71 | 116.4 Ų | 116.4 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.2 | -41.6 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 110.1 | D117 V123 K124 | D117-T120 PolarHBondContact O-N 2.77Å; D117-T120 VanDerWaalsContact O-N 3.07Å; T120-V123 PolarHBondContact O-N 3.15Å; T120-K124 HydrophobicContact CG2-CD 4.39Å; T120-K124 WeakPolarHBondContact O-CB 3.34Å; T120-K124 VanDerWaalsContact O-CG 3.3Å; T120-K124 WeakPolarHBondContact O-CG 3.38Å; T120-K124 PolarHBondContact O-N 2.88Å |
| 121 | D | 81.3 | Confident | 70.2 | Confident | 72 Ų | 72 | 108.3 Ų | 108.3 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71.9 | -35.5 | 177.6 | -70 | -16.7 | 0 | 0 | 0 | 111.7 | D117 L119 K124 Y125 | D117-D121 VanDerWaalsContact O-CB 3.31Å; D117-D121 WeakPolarHBondContact O-CB 3.31Å; D117-D121 PolarHBondContact O-N 2.79Å; L119-D121 VanDerWaalsContact C-N 3.28Å; L119-D121 PolarHBondContact O-N 2.92Å; D121-K124 PolarHBondContact O-N 3.2Å; D121-K124 IonicContact OD1-NZ 2.73Å; D121-K124 PolarHBondContact OD1-NZ 2.93Å; D121-K124 VanDerWaalsContact OD1-NZ 3.14Å; D121-Y125 WeakPolarHBondContact O-CA 3.39Å; D121-Y125 WeakPolarHBondContact O-CB 3.2Å; D121-Y125 PolarHBondContact O-N 2.62Å |
| 122 | L | 82.5 | Confident | 71.4 | Confident | 109 Ų | 109 | 107.1 Ų | 107.1 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.9 | -44 | 168.6 | -96.1 | 154.6 | 0 | 0 | 0 | 111.9 | D118 L119 Y125 Q126 | D118-L122 WeakPolarHBondContact O-CB 3.44Å; D118-L122 WeakPolarHBondContact O-CD1 3.18Å; D118-L122 WeakPolarHBondContact O-CG 3.19Å; D118-L122 PolarHBondContact O-N 2.68Å; L119-L122 PolarHBondContact O-N 2.77Å; L122-Y125 PolarHBondContact O-N 3.37Å; L122-Q126 VanDerWaalsContact O-CB 3.26Å; L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 PolarHBondContact O-N 3.26Å |
| 123 | V | 80.9 | Confident | 72.5 | Confident | 66 Ų | 66 | 108.5 Ų | 108.5 | 40% | 0.4 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.2 | -45.5 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L119 T120 Y125 Q126 W127 | L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 3Å; T120-V123 PolarHBondContact O-N 3.15Å; V123-Y125 VanDerWaalsContact C-N 3.31Å; V123-Y125 PolarHBondContact O-N 2.98Å; V123-Q126 PolarHBondContact O-N 3.26Å; V123-W127 PolarHBondContact O-N 2.91Å |
| 124 | K | 81.4 | Confident | 73.6 | Confident | 120 Ų | 120 | 105.9 Ų | 105.9 | 52% | 0.522 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.5 | -43.2 | 173.9 | -73.8 | 170.6 | -173.3 | 158.6 | 0 | 111.4 | T120 D121 W127 S128 | T120-K124 HydrophobicContact CG2-CD 4.39Å; T120-K124 WeakPolarHBondContact O-CB 3.34Å; T120-K124 VanDerWaalsContact O-CG 3.3Å; T120-K124 WeakPolarHBondContact O-CG 3.38Å; T120-K124 PolarHBondContact O-N 2.88Å; D121-K124 PolarHBondContact O-N 3.2Å; D121-K124 IonicContact OD1-NZ 2.73Å; D121-K124 PolarHBondContact OD1-NZ 2.93Å; D121-K124 VanDerWaalsContact OD1-NZ 3.14Å; K124-W127 PolarHBondContact O-N 3.35Å; K124-S128 WeakPolarHBondContact O-CB 3.5Å; K124-S128 PolarHBondContact O-N 3.35Å |
| 125 | Y | 81 | Confident | 74.3 | Confident | 152 Ų | 152 | 109.9 Ų | 109.9 | 60% | 0.596 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66 | -44.7 | 179 | -175.8 | -108.8 | 0 | 0 | 0 | 110.9 | D121 L122 V123 W127 S128 I129 | D121-Y125 WeakPolarHBondContact O-CA 3.39Å; D121-Y125 WeakPolarHBondContact O-CB 3.2Å; D121-Y125 PolarHBondContact O-N 2.62Å; L122-Y125 PolarHBondContact O-N 3.37Å; V123-Y125 VanDerWaalsContact C-N 3.31Å; V123-Y125 PolarHBondContact O-N 2.98Å; Y125-W127 VanDerWaalsContact C-N 3.34Å; Y125-W127 PolarHBondContact O-N 3.3Å; Y125-S128 WeakPolarHBondContact CA-OG 3.36Å; Y125-S128 WeakPolarHBondContact O-CB 3.32Å; Y125-S128 PolarHBondContact O-N 3Å; Y125-S128 VanDerWaalsContact O-N 3.12Å; Y125-S128 PolarHBondContact O-OG 2.78Å; Y125-I129 HydrophobicContact CD1-CD1 3.79Å; Y125-I129 HydrophobicContact CD1-CG1 4.49Å; Y125-I129 HydrophobicContact CE1-CD1 3.24Å; Y125-I129 HydrophobicContact CE1-CG1 4.19Å; Y125-I129 HydrophobicContact CE2-CD1 4.29Å; Y125-I129 HydrophobicContact CE2-CG1 4.49Å; Y125-I129 WeakPolarHBondContact O-CG1 3.41Å; Y125-I129 PolarHBondContact O-N 2.94Å |
| 126 | Q | 83.5 | Confident | 74.6 | Confident | 108 Ų | 108 | 115.2 Ų | 115.2 | 51% | 0.505 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -57.8 | -46.1 | 173.6 | -178 | 172.7 | -9.1 | 0 | 0 | 111.3 | L122 V123 I129 E130 | L122-Q126 VanDerWaalsContact O-CB 3.26Å; L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 PolarHBondContact O-N 3.26Å; V123-Q126 PolarHBondContact O-N 3.26Å; Q126-I129 PolarHBondContact O-N 2.9Å; Q126-E130 PolarHBondContact O-N 3.18Å |
| 127 | W | 77.7 | Confident | 75 | Confident | 181 Ų | 181 | 112.6 Ų | 112.6 | 69% | 0.686 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.9 | -37.6 | 174 | -78.9 | 10.2 | 0 | 0 | 0 | 113 | V123 K124 Y125 I129 E130 S131 | V123-W127 PolarHBondContact O-N 2.91Å; K124-W127 PolarHBondContact O-N 3.35Å; Y125-W127 VanDerWaalsContact C-N 3.34Å; Y125-W127 PolarHBondContact O-N 3.3Å; W127-I129 VanDerWaalsContact C-N 3.29Å; W127-I129 PolarHBondContact O-N 2.82Å; W127-E130 PolarHBondContact O-N 3.48Å; W127-S131 VanDerWaalsContact O-CB 3.31Å; W127-S131 WeakPolarHBondContact O-CB 3.21Å; W127-S131 PolarHBondContact O-N 3.21Å; W127-S131 PolarHBondContact O-OG 3.24Å |
| 128 | S | 82.3 | Confident | 74.8 | Confident | 47 Ų | 47 | 114.9 Ų | 114.9 | 33% | 0.329 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -36.8 | 175.6 | 80.7 | 0 | 0 | 0 | 0 | 111.7 | K124 Y125 S131 L132 | K124-S128 WeakPolarHBondContact O-CB 3.5Å; K124-S128 PolarHBondContact O-N 3.35Å; Y125-S128 WeakPolarHBondContact CA-OG 3.36Å; Y125-S128 WeakPolarHBondContact O-CB 3.32Å; Y125-S128 PolarHBondContact O-N 3Å; Y125-S128 VanDerWaalsContact O-N 3.12Å; Y125-S128 PolarHBondContact O-OG 2.78Å; S128-S131 WeakPolarHBondContact CA-OG 3.48Å; S128-S131 PolarHBondContact O-OG 3.32Å; S128-L132 WeakPolarHBondContact O-CB 3.47Å; S128-L132 PolarHBondContact O-N 2.85Å; S128-L132 VanDerWaalsContact O-N 3.1Å |
| 129 | I | 80.9 | Confident | 74.1 | Confident | 87 Ų | 87 | 115.5 Ų | 115.5 | 45% | 0.446 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71 | -47.8 | 174.6 | -71.7 | 179.5 | 0 | 0 | 0 | 110.8 | Y125 Q126 W127 S131 L132 | Y125-I129 HydrophobicContact CD1-CD1 3.79Å; Y125-I129 HydrophobicContact CD1-CG1 4.49Å; Y125-I129 HydrophobicContact CE1-CD1 3.24Å; Y125-I129 HydrophobicContact CE1-CG1 4.19Å; Y125-I129 HydrophobicContact CE2-CD1 4.29Å; Y125-I129 HydrophobicContact CE2-CG1 4.49Å; Y125-I129 WeakPolarHBondContact O-CG1 3.41Å; Y125-I129 PolarHBondContact O-N 2.94Å; Q126-I129 PolarHBondContact O-N 2.9Å; W127-I129 VanDerWaalsContact C-N 3.29Å; W127-I129 PolarHBondContact O-N 2.82Å; I129-S131 PolarHBondContact O-N 2.93Å; I129-L132 VanDerWaalsContact O-CB 3.23Å; I129-L132 WeakPolarHBondContact O-CB 3.37Å; I129-L132 PolarHBondContact O-N 3.43Å |
| 130 | E | 78.9 | Confident | 73.5 | Confident | 125 Ų | 125 | 117 Ų | 117 | 58% | 0.584 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.8 | -31.2 | 179.3 | -77.7 | -173.6 | -171.2 | 0 | 0 | 112.4 | Q126 W127 | Q126-E130 PolarHBondContact O-N 3.18Å; W127-E130 PolarHBondContact O-N 3.48Å |
| 131 | S | 73.1 | Confident | 73.5 | Confident | 65 Ų | 65 | 121.4 Ų | 121.4 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | -9.2 | 175.1 | 61 | 0 | 0 | 0 | 0 | 114 | W127 S128 I129 G133 I134 | W127-S131 VanDerWaalsContact O-CB 3.31Å; W127-S131 WeakPolarHBondContact O-CB 3.21Å; W127-S131 PolarHBondContact O-N 3.21Å; W127-S131 PolarHBondContact O-OG 3.24Å; S128-S131 WeakPolarHBondContact CA-OG 3.48Å; S128-S131 PolarHBondContact O-OG 3.32Å; I129-S131 PolarHBondContact O-N 2.93Å; S131-G133 PolarHBondContact O-N 2.92Å; S131-G133 VanDerWaalsContact O-N 3.13Å; S131-I134 PolarHBondContact O-N 3.18Å |
| 132 | L | 73.9 | Confident | 73.5 | Confident | 139 Ų | 139 | 121.3 Ų | 121.3 | 73% | 0.728 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 111.5 | -177.3 | -139.9 | 130.1 | 0 | 0 | 0 | 109.7 | S128 I129 | S128-L132 WeakPolarHBondContact O-CB 3.47Å; S128-L132 PolarHBondContact O-N 2.85Å; S128-L132 VanDerWaalsContact O-N 3.1Å; I129-L132 VanDerWaalsContact O-CB 3.23Å; I129-L132 WeakPolarHBondContact O-CB 3.37Å; I129-L132 PolarHBondContact O-N 3.43Å |
| 133 | G | 71.1 | Confident | 73.9 | Confident | 78 Ų | 78 | 118.8 Ų | 118.8 | 80% | 0.804 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.6 | -7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S131 Q135 | S131-G133 PolarHBondContact O-N 2.92Å; S131-G133 VanDerWaalsContact O-N 3.13Å; G133-Q135 PolarHBondContact O-N 3.02Å |
| 134 | I | 70.2 | Confident | 74.5 | Confident | 131 Ų | 131 | 122 Ų | 122 | 67% | 0.672 | 63% | 0.631 | S | S | * | * | trans | -93.4 | 92.8 | 172.4 | -51 | 179.8 | 0 | 0 | 0 | 108.4 | S131 | S131-I134 PolarHBondContact O-N 3.18Š| ||
| 135 | Q | 63.6 | Low | 74.9 | Confident | 182 Ų | 182 | 121.1 Ų | 121.1 | 85% | 0.85 | 63% | 0.631 | S | S | * | * | trans | -77.1 | 132.9 | 167.5 | -71.9 | -177.9 | -0.4 | 0 | 0 | 109.3 | G133 A137 | G133-Q135 PolarHBondContact O-N 3.02Å; Q135-A137 PolarHBondContact O-N 2.97Å; Q135-A137 VanDerWaalsContact O-N 3.08Å | ||
| 136 | R | 62.4 | Low | 75.4 | Confident | 242 Ų | 242 | 118 Ų | 118 | 91% | 0.913 | 63% | 0.625 | S | S | * | * | trans | -57.4 | 116.4 | 164.9 | -87 | -177.3 | 166.1 | 174.3 | -4.1 | 107.6 | T138 | R136-T138 PolarHBondContact O-N 2.68Š| ||
| 137 | A | 62.6 | Low | 75.8 | Confident | 68 Ų | 68 | 117.5 Ų | 117.5 | 56% | 0.562 | 62% | 0.621 | S | S | * | * | trans | -57.2 | 114.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q135 T139 E140 | Q135-A137 PolarHBondContact O-N 2.97Å; Q135-A137 VanDerWaalsContact O-N 3.08Å; A137-T139 PolarHBondContact O-N 3.02Å; A137-E140 HydrophobicContact CB-CG 4.21Å | ||
| 138 | T | 60 | Low | 76.5 | Confident | 144 Ų | 144 | 115.6 Ų | 115.6 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -69.3 | -19.7 | 179.7 | 43.8 | 0 | 0 | 0 | 0 | 112.3 | R136 | R136-T138 PolarHBondContact O-N 2.68Š|
| 139 | T | 60 | Low | 77 | Confident | 115 Ų | 115 | 115.5 Ų | 115.5 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -137.5 | 86.4 | 179.2 | -37.2 | 0 | 0 | 0 | 0 | 108.3 | A137 M141 | A137-T139 PolarHBondContact O-N 3.02Å; T139-M141 VanDerWaalsContact C-N 3.35Å; T139-M141 PolarHBondContact O-N 2.83Å |
| 140 | E | 62.7 | Low | 77.5 | Confident | 155 Ų | 155 | 114.1 Ų | 114.1 | 72% | 0.724 | 61% | 0.609 | S | S | * | * | trans | -66.4 | 95.6 | 172.3 | -73.8 | -178.1 | 168.9 | 0 | 0 | 108.8 | A137 L142 | A137-E140 HydrophobicContact CB-CG 4.21Å; E140-L142 VanDerWaalsContact C-N 3.27Å; E140-L142 PolarHBondContact O-N 3.47Å | ||
| 141 | M | 73.5 | Confident | 78.2 | Confident | 163 Ų | 163 | 113.6 Ų | 113.6 | 80% | 0.803 | 61% | 0.606 | S | S | * | * | trans | -65.7 | 97.2 | 158.6 | -75.7 | -171.4 | 71.9 | 0 | 0 | 107 | T139 S143 | T139-M141 VanDerWaalsContact C-N 3.35Å; T139-M141 PolarHBondContact O-N 2.83Å; M141-S143 PolarHBondContact O-N 2.88Å | ||
| 142 | L | 82 | Confident | 79.2 | Confident | 71 Ų | 71 | 112.3 Ų | 112.3 | 37% | 0.372 | 59% | 0.594 | S | S | . | * | trans | -50 | 135.5 | 172 | -71 | 165.1 | 0 | 0 | 0 | 109.6 | E140 D146 K147 L150 | E140-L142 VanDerWaalsContact C-N 3.27Å; E140-L142 PolarHBondContact O-N 3.47Å; L142-D146 HydrophobicContact CB-CB 4.17Å; L142-D146 HydrophobicContact CD2-CB 3.92Å; L142-K147 HydrophobicContact CB-CG 3.75Å; L142-K147 WeakPolarHBondContact O-CE 3.48Å; L142-L150 HydrophobicContact CD1-CD2 4.14Å | ||
| 143 | S | 90.7 | Very high | 80.2 | Confident | 55 Ų | 55 | 106.9 Ų | 106.9 | 39% | 0.385 | 57% | 0.566 | S | S | . | * | trans | -59.6 | 160.1 | 173.7 | 75.3 | 0 | 0 | 0 | 0 | 110.2 | M141 D145 D146 K147 | M141-S143 PolarHBondContact O-N 2.88Å; S143-D145 PolarHBondContact O-N 2.94Å; S143-D146 WeakPolarHBondContact CB-OD2 3.37Å; S143-D146 PolarHBondContact N-OD2 3.18Å; S143-D146 PolarHBondContact O-N 3.08Å; S143-D146 WeakPolarHBondContact OG-CB 3.4Å; S143-D146 PolarHBondContact OG-N 3.29Å; S143-D146 PolarHBondContact OG-OD2 3.31Å; S143-K147 WeakPolarHBondContact O-CG 3.25Å; S143-K147 PolarHBondContact O-N 2.9Å | ||
| 144 | N | 92.2 | Very high | 81.3 | Confident | 135 Ų | 135 | 108.4 Ų | 108.4 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.2 | -33.3 | 177.1 | -70.9 | -23.8 | 0 | 0 | 0 | 111.8 | R148 | N144-R148 WeakPolarHBondContact O-CB 3.21Å; N144-R148 PolarHBondContact O-N 3.41Å |
| 145 | D | 90.7 | Very high | 82.4 | Confident | 100 Ų | 100 | 105.1 Ų | 105.1 | 54% | 0.535 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.6 | -41.2 | 174.9 | -82 | -46.5 | 0 | 0 | 0 | 112.5 | S143 K147 R148 A149 | S143-D145 PolarHBondContact O-N 2.94Å; D145-K147 VanDerWaalsContact C-N 3.35Å; D145-K147 PolarHBondContact O-N 3.33Å; D145-R148 PolarHBondContact O-N 3.3Å; D145-R148 IonicContact OD1-CZ 3.74Å; D145-R148 IonicContact OD1-NE 2.99Å; D145-R148 PolarHBondContact OD1-NE 3.07Å; D145-R148 IonicContact OD1-NH2 3.32Å; D145-R148 PolarHBondContact OD1-NH2 3.01Å; D145-A149 WeakPolarHBondContact O-CB 3.27Å; D145-A149 PolarHBondContact O-N 3.33Å |
| 146 | D | 90.7 | Very high | 83.7 | Confident | 86 Ų | 86 | 97.5 Ų | 97.5 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.8 | -63.7 | -42.6 | 0 | 0 | 0 | 111.4 | L142 S143 R148 A149 L150 | L142-D146 HydrophobicContact CB-CB 4.17Å; L142-D146 HydrophobicContact CD2-CB 3.92Å; S143-D146 WeakPolarHBondContact CB-OD2 3.37Å; S143-D146 PolarHBondContact N-OD2 3.18Å; S143-D146 PolarHBondContact O-N 3.08Å; S143-D146 WeakPolarHBondContact OG-CB 3.4Å; S143-D146 PolarHBondContact OG-N 3.29Å; S143-D146 PolarHBondContact OG-OD2 3.31Å; D146-R148 VanDerWaalsContact C-N 3.34Å; D146-R148 PolarHBondContact O-N 3.34Å; D146-A149 PolarHBondContact O-N 3.14Å; D146-L150 VanDerWaalsContact O-CB 3.23Å; D146-L150 WeakPolarHBondContact O-CB 3.35Å; D146-L150 PolarHBondContact O-N 3.24Å |
| 147 | K | 92.1 | Very high | 85.2 | Confident | 99 Ų | 99 | 86.8 Ų | 86.8 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 173.6 | -72.5 | 174.3 | -178 | 164.4 | 0 | 111.3 | L142 S143 D145 H151 | L142-K147 HydrophobicContact CB-CG 3.75Å; L142-K147 WeakPolarHBondContact O-CE 3.48Å; S143-K147 WeakPolarHBondContact O-CG 3.25Å; S143-K147 PolarHBondContact O-N 2.9Å; D145-K147 VanDerWaalsContact C-N 3.35Å; D145-K147 PolarHBondContact O-N 3.33Å; K147-H151 VanDerWaalsContact O-CB 3.28Å; K147-H151 WeakPolarHBondContact O-CB 3.3Å; K147-H151 PolarHBondContact O-N 3.05Å |
| 148 | R | 93 | Very high | 86.4 | Confident | 140 Ų | 140 | 89.6 Ų | 89.6 | 53% | 0.528 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 176.9 | -177.2 | 179.4 | 65.4 | 91.6 | -0.9 | 111.2 | N144 D145 D146 H151 I152 | N144-R148 WeakPolarHBondContact O-CB 3.21Å; N144-R148 PolarHBondContact O-N 3.41Å; D145-R148 PolarHBondContact O-N 3.3Å; D145-R148 IonicContact OD1-CZ 3.74Å; D145-R148 IonicContact OD1-NE 2.99Å; D145-R148 PolarHBondContact OD1-NE 3.07Å; D145-R148 IonicContact OD1-NH2 3.32Å; D145-R148 PolarHBondContact OD1-NH2 3.01Å; D146-R148 VanDerWaalsContact C-N 3.34Å; D146-R148 PolarHBondContact O-N 3.34Å; R148-H151 PolarHBondContact O-N 3.14Å; R148-I152 HydrophobicContact CG-CD1 4.24Å; R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 3.25Å |
| 149 | A | 91.8 | Very high | 87.5 | Confident | 45 Ų | 45 | 87.6 Ų | 87.6 | 37% | 0.372 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D145 D146 H151 I152 L153 | D145-A149 WeakPolarHBondContact O-CB 3.27Å; D145-A149 PolarHBondContact O-N 3.33Å; D146-A149 PolarHBondContact O-N 3.14Å; A149-H151 PolarHBondContact O-N 2.93Å; A149-I152 WeakPolarHBondContact O-CB 3.34Å; A149-I152 PolarHBondContact O-N 3.42Å; A149-L153 WeakPolarHBondContact O-CG 3.46Å; A149-L153 PolarHBondContact O-N 3.02Å |
| 150 | L | 92.3 | Very high | 88.3 | Confident | 59 Ų | 59 | 85.3 Ų | 85.3 | 31% | 0.309 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.5 | -173.2 | 65.4 | 0 | 0 | 0 | 111.7 | L142 D146 I152 L153 Q154 Y210 | L142-L150 HydrophobicContact CD1-CD2 4.14Å; D146-L150 VanDerWaalsContact O-CB 3.23Å; D146-L150 WeakPolarHBondContact O-CB 3.35Å; D146-L150 PolarHBondContact O-N 3.24Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 PolarHBondContact O-N 2.83Å; L150-L153 PolarHBondContact O-N 2.97Å; L150-Q154 HydrophobicContact CG-CG 4.44Å; L150-Q154 WeakPolarHBondContact O-CB 3.45Å; L150-Q154 VanDerWaalsContact O-CG 3.3Å; L150-Q154 WeakPolarHBondContact O-CG 3.48Å; L150-Q154 PolarHBondContact O-N 2.94Å; L150-Y210 HydrophobicContact CD1-CD2 4.24Å; L150-Y210 HydrophobicContact CD1-CE2 3.96Å |
| 151 | H | 94.4 | Very high | 88.7 | Confident | 113 Ų | 113 | 84.8 Ų | 84.8 | 52% | 0.523 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175 | -178.2 | 72.2 | 0 | 0 | 0 | 111.9 | K147 R148 A149 Q154 T155 | K147-H151 VanDerWaalsContact O-CB 3.28Å; K147-H151 WeakPolarHBondContact O-CB 3.3Å; K147-H151 PolarHBondContact O-N 3.05Å; R148-H151 PolarHBondContact O-N 3.14Å; A149-H151 PolarHBondContact O-N 2.93Å; H151-Q154 PolarHBondContact O-N 3.02Å; H151-T155 WeakPolarHBondContact O-CB 3.27Å; H151-T155 VanDerWaalsContact O-CG2 3.29Å; H151-T155 WeakPolarHBondContact O-CG2 3.36Å; H151-T155 PolarHBondContact O-N 3.32Å; H151-T155 PolarHBondContact O-OG1 2.88Å |
| 152 | I | 93.5 | Very high | 88.6 | Confident | 39 Ų | 39 | 77.4 Ų | 77.4 | 20% | 0.2 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.8 | -51.6 | 173.4 | -68.3 | 163.6 | 0 | 0 | 0 | 109.6 | R148 A149 L150 Q154 T155 T156 T169 | R148-I152 HydrophobicContact CG-CD1 4.24Å; R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 3.25Å; A149-I152 WeakPolarHBondContact O-CB 3.34Å; A149-I152 PolarHBondContact O-N 3.42Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 PolarHBondContact O-N 2.83Å; I152-Q154 PolarHBondContact O-N 3.19Å; I152-T155 PolarHBondContact O-N 2.75Å; I152-T155 PolarHBondContact O-OG1 3.31Å; I152-T156 HydrophobicContact CG2-CG2 4.04Å; I152-T156 WeakPolarHBondContact O-CB 3.46Å; I152-T156 VanDerWaalsContact O-CG2 3.31Å; I152-T156 WeakPolarHBondContact O-CG2 3.33Å; I152-T156 PolarHBondContact O-N 2.69Å; I152-T156 PolarHBondContact O-OG1 2.83Å; I152-T169 HydrophobicContact CD1-CG2 3.94Å; I152-T169 HydrophobicContact CG1-CG2 4.06Å; I152-T169 HydrophobicContact CG2-CG2 3.82Å |
| 153 | L | 94.6 | Very high | 88.5 | Confident | 25 Ų | 25 | 77.2 Ų | 77.2 | 13% | 0.131 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.1 | -47.8 | 179.2 | -73 | 170.7 | 0 | 0 | 0 | 112.3 | A149 L150 T157 V166 V207 Y210 | A149-L153 WeakPolarHBondContact O-CG 3.46Å; A149-L153 PolarHBondContact O-N 3.02Å; L150-L153 PolarHBondContact O-N 2.97Å; L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 PolarHBondContact O-N 3.42Å; L153-T157 VanDerWaalsContact O-N 3.07Å; L153-T157 PolarHBondContact O-OG1 3.42Å; L153-V166 HydrophobicContact CD2-CG1 3.92Å; L153-V207 HydrophobicContact CD2-CB 4.45Å; L153-V207 HydrophobicContact CD2-CG1 4.14Å; L153-V207 HydrophobicContact CD2-CG2 4.05Å; L153-Y210 HydrophobicContact CB-CD1 3.96Å; L153-Y210 HydrophobicContact CB-CD2 4.2Å; L153-Y210 HydrophobicContact CB-CE1 3.83Å; L153-Y210 HydrophobicContact CB-CE2 4.06Å; L153-Y210 HydrophobicContact CB-CG 4.15Å; L153-Y210 HydrophobicContact CD1-CD1 4.31Å; L153-Y210 HydrophobicContact CD1-CD2 3.95Å; L153-Y210 HydrophobicContact CD1-CG 3.79Å; L153-Y210 HydrophobicContact CD2-CD1 3.98Å; L153-Y210 HydrophobicContact CD2-CG 4.25Å; L153-Y210 HydrophobicContact CG-CD1 4.32Å; L153-Y210 HydrophobicContact CG-CG 4.3Å |
| 154 | Q | 93.4 | Very high | 88.3 | Confident | 110 Ų | 110 | 76.1 Ų | 76.1 | 51% | 0.514 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 179.2 | -72.6 | 173.3 | -14.8 | 0 | 0 | 112.4 | L150 H151 I152 Y210 | L150-Q154 HydrophobicContact CG-CG 4.44Å; L150-Q154 WeakPolarHBondContact O-CB 3.45Å; L150-Q154 VanDerWaalsContact O-CG 3.3Å; L150-Q154 WeakPolarHBondContact O-CG 3.48Å; L150-Q154 PolarHBondContact O-N 2.94Å; H151-Q154 PolarHBondContact O-N 3.02Å; I152-Q154 PolarHBondContact O-N 3.19Å; Q154-Y210 WeakPolarHBondContact CA-OH 2.92Å; Q154-Y210 WeakPolarHBondContact CG-OH 3.46Å |
| 155 | T | 93.2 | Very high | 88.1 | Confident | 62 Ų | 62 | 72 Ų | 72 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -81 | -28.6 | -175.7 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | H151 I152 R158 | H151-T155 WeakPolarHBondContact O-CB 3.27Å; H151-T155 VanDerWaalsContact O-CG2 3.29Å; H151-T155 WeakPolarHBondContact O-CG2 3.36Å; H151-T155 PolarHBondContact O-N 3.32Å; H151-T155 PolarHBondContact O-OG1 2.88Å; I152-T155 PolarHBondContact O-N 2.75Å; I152-T155 PolarHBondContact O-OG1 3.31Å; T155-R158 VanDerWaalsContact O-CZ 3.26Å; T155-R158 PolarHBondContact O-NH1 2.99Å; T155-R158 PolarHBondContact O-NH2 3.18Å |
| 156 | T | 92.8 | Very high | 88.2 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 14% | 0.135 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -101.2 | -19.7 | -174.1 | 69.4 | 0 | 0 | 0 | 0 | 114.8 | I152 R158 R167 | I152-T156 HydrophobicContact CG2-CG2 4.04Å; I152-T156 WeakPolarHBondContact O-CB 3.46Å; I152-T156 VanDerWaalsContact O-CG2 3.31Å; I152-T156 WeakPolarHBondContact O-CG2 3.33Å; I152-T156 PolarHBondContact O-N 2.69Å; I152-T156 PolarHBondContact O-OG1 2.83Å; T156-R158 PolarHBondContact O-N 2.85Å; T156-R167 WeakPolarHBondContact CB-O 3.37Å; T156-R167 HydrophobicContact CG2-CB 4.42Å; T156-R167 PolarHBondContact O-N 3.36Å; T156-R167 PolarHBondContact OG1-O 2.84Å |
| 157 | T | 93.2 | Very high | 88.3 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 10% | 0.098 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 125.5 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | L153 M164 N165 V166 Y210 | L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 PolarHBondContact O-N 3.42Å; L153-T157 VanDerWaalsContact O-N 3.07Å; L153-T157 PolarHBondContact O-OG1 3.42Å; T157-M164 HydrophobicContact CG2-CE 3.43Å; T157-M164 VanDerWaalsContact CG2-CE 3.43Å; T157-M164 HydrophobicContact CG2-SD 3.93Å; T157-N165 WeakPolarHBondContact CA-O 3.26Å; T157-V166 HydrophobicContact CG2-CG2 4.42Å; T157-Y210 HydrophobicContact CG2-CE1 4.4Å; T157-Y210 WeakPolarHBondContact OG1-CE1 2.85Å |
| 158 | R | 87.9 | Confident | 88.3 | Confident | 127 Ų | 127 | 67 Ų | 67 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 136.3 | 178.6 | -66.8 | -67.4 | -176.9 | -76.1 | -6.7 | 110.1 | T155 T156 N165 | T155-R158 VanDerWaalsContact O-CZ 3.26Å; T155-R158 PolarHBondContact O-NH1 2.99Å; T155-R158 PolarHBondContact O-NH2 3.18Å; T156-R158 PolarHBondContact O-N 2.85Å; R158-N165 PolarHBondContact N-O 3.34Å; R158-N165 PolarHBondContact O-N 3.08Å |
| 159 | K | 81.9 | Confident | 88.3 | Confident | 102 Ų | 102 | 62.1 Ų | 62.1 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.6 | 171.9 | -163.7 | 171.7 | -177.4 | 172.9 | 0 | 109.7 | V163 M164 | K159-V163 WeakPolarHBondContact CA-O 3.46Å; K159-M164 HydrophobicContact CB-SD 3.89Å; K159-M164 HydrophobicContact CG-SD 4.3Å |
| 160 | T | 78.2 | Confident | 88.2 | Confident | 67 Ų | 67 | 69 Ų | 69 | 41% | 0.411 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 123.1 | 176.3 | -46.2 | 0 | 0 | 0 | 0 | 108.4 | G162 V163 N165 | T160-G162 VanDerWaalsContact C-N 3.26Å; T160-G162 PolarHBondContact O-N 2.91Å; T160-V163 PolarHBondContact N-O 3.42Å; T160-V163 PolarHBondContact O-N 3.5Å; T160-V163 VanDerWaalsContact O-O 3.09Å; T160-N165 WeakPolarHBondContact CB-ND2 3.25Å; T160-N165 PolarHBondContact OG1-ND2 3.29Å |
| 161 | N | 70.8 | Confident | 88.2 | Confident | 145 Ų | 145 | 70 Ų | 70 | 78% | 0.775 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 41.7 | -179.8 | -58 | -15.7 | 0 | 0 | 0 | 113.7 | V163 | N161-V163 PolarHBondContact O-N 2.69Š|
| 162 | G | 71.8 | Confident | 88 | Confident | 8 Ų | 8 | 68 Ų | 68 | 8% | 0.082 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -22.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T160 A263 | T160-G162 VanDerWaalsContact C-N 3.26Å; T160-G162 PolarHBondContact O-N 2.91Å; G162-A263 VanDerWaalsContact O-CB 3.27Å; G162-A263 WeakPolarHBondContact O-CB 3.49Å |
| 163 | V | 80.3 | Confident | 88 | Confident | 66 Ų | 66 | 68 Ų | 68 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136 | -178.3 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | K159 T160 N161 | K159-V163 WeakPolarHBondContact CA-O 3.46Å; T160-V163 PolarHBondContact N-O 3.42Å; T160-V163 PolarHBondContact O-N 3.5Å; T160-V163 VanDerWaalsContact O-O 3.09Å; N161-V163 PolarHBondContact O-N 2.69Å |
| 164 | M | 85.4 | Confident | 87.8 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 16% | 0.158 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 117.8 | 174.7 | -75 | -77.4 | -97.6 | 0 | 0 | 110.5 | T157 K159 V211 R214 | T157-M164 HydrophobicContact CG2-CE 3.43Å; T157-M164 VanDerWaalsContact CG2-CE 3.43Å; T157-M164 HydrophobicContact CG2-SD 3.93Å; K159-M164 HydrophobicContact CB-SD 3.89Å; K159-M164 HydrophobicContact CG-SD 4.3Å; M164-V211 HydrophobicContact CB-CG1 3.49Å; M164-V211 VanDerWaalsContact CB-CG1 3.49Å; M164-V211 HydrophobicContact CG-CG1 4.15Å; M164-R214 HydrophobicContact CE-CB 3.99Å; M164-R214 HydrophobicContact CE-CG 3.38Å |
| 165 | N | 89.3 | Confident | 87.7 | Confident | 49 Ų | 49 | 72.1 Ų | 72.1 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.1 | 177.3 | -67.8 | -44.4 | 0 | 0 | 0 | 110.1 | T157 R158 T160 V196 | T157-N165 WeakPolarHBondContact CA-O 3.26Å; R158-N165 PolarHBondContact N-O 3.34Å; R158-N165 PolarHBondContact O-N 3.08Å; T160-N165 WeakPolarHBondContact CB-ND2 3.25Å; T160-N165 PolarHBondContact OG1-ND2 3.29Å; N165-V196 HydrophobicContact CB-CG1 4.01Å |
| 166 | V | 92.2 | Very high | 87.6 | Confident | 10 Ų | 10 | 71.3 Ų | 71.3 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.6 | 173 | -177 | 0 | 0 | 0 | 0 | 108.4 | L153 T157 V196 H197 V207 V211 | L153-V166 HydrophobicContact CD2-CG1 3.92Å; T157-V166 HydrophobicContact CG2-CG2 4.42Å; V166-V196 CarbonylContact O-C 3.58Å; V166-V196 WeakPolarHBondContact O-CA 3.27Å; V166-V196 WeakPolarHBondContact O-CG1 3.43Å; V166-H197 HydrophobicContact CB-CB 4.2Å; V166-H197 PolarHBondContact O-N 3.27Å; V166-V207 HydrophobicContact CB-CG1 4Å; V166-V207 HydrophobicContact CG1-CG1 4.08Å; V166-V207 HydrophobicContact CG2-CG1 3.73Å; V166-V211 HydrophobicContact CG2-CG2 3.53Å |
| 167 | R | 92.8 | Very high | 87.6 | Confident | 153 Ų | 153 | 72.4 Ų | 72.4 | 58% | 0.577 | 38% | 0.38 | S | S | * | . | B | Isolated β-bridge | trans | -78.2 | 140.6 | -179.6 | -59.6 | 179.5 | 172.9 | 175 | -2 | 111.5 | T156 R195 | T156-R167 WeakPolarHBondContact CB-O 3.37Å; T156-R167 HydrophobicContact CG2-CB 4.42Å; T156-R167 PolarHBondContact O-N 3.36Å; T156-R167 PolarHBondContact OG1-O 2.84Å; R167-R195 VanDerWaalsContact CA-O 3.3Å; R167-R195 WeakPolarHBondContact CA-O 3.42Å |
| 168 | V | 92.4 | Very high | 87.6 | Confident | 18 Ų | 18 | 75 Ų | 75 | 11% | 0.109 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 132.8 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | D172 Q173 L176 R195 | V168-D172 HydrophobicContact CG1-CB 3.82Å; V168-Q173 HydrophobicContact CB-CG 4.09Å; V168-Q173 HydrophobicContact CG1-CG 3.9Å; V168-Q173 PolarHBondContact O-NE2 3.14Å; V168-L176 HydrophobicContact CG1-CD1 4.11Å; V168-L176 HydrophobicContact CG2-CD1 3.8Å; V168-R195 PolarHBondContact N-O 2.96Å |
| 169 | T | 91.6 | Very high | 87.9 | Confident | 36 Ų | 36 | 74.6 Ų | 74.6 | 22% | 0.221 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 149 | -179.7 | 83.8 | 0 | 0 | 0 | 0 | 110.3 | I152 A171 D172 Q173 | I152-T169 HydrophobicContact CD1-CG2 3.94Å; I152-T169 HydrophobicContact CG1-CG2 4.06Å; I152-T169 HydrophobicContact CG2-CG2 3.82Å; T169-A171 PolarHBondContact O-N 2.86Å; T169-A171 VanDerWaalsContact O-N 3.11Å; T169-D172 PolarHBondContact O-N 3.4Å; T169-D172 PolarHBondContact OG1-N 2.88Å; T169-D172 PolarHBondContact OG1-OD2 3.03Å; T169-Q173 WeakPolarHBondContact O-CG 3.3Å; T169-Q173 PolarHBondContact O-N 3.41Å; T169-Q173 VanDerWaalsContact O-N 3.09Å |
| 170 | K | 91 | Very high | 88.4 | Confident | 190 Ų | 190 | 76.6 Ų | 76.6 | 83% | 0.826 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -31.5 | -178.8 | -73.3 | -172.2 | 178.3 | -179.3 | 0 | 113.1 | ||
| 171 | A | 90.9 | Very high | 88.9 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 67% | 0.669 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -35.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T169 | T169-A171 PolarHBondContact O-N 2.86Å; T169-A171 VanDerWaalsContact O-N 3.11Å |
| 172 | D | 91 | Very high | 89.7 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -16 | -175.9 | -54.7 | -41.4 | 0 | 0 | 0 | 113.1 | V168 T169 A174 M175 | V168-D172 HydrophobicContact CG1-CB 3.82Å; T169-D172 PolarHBondContact O-N 3.4Å; T169-D172 PolarHBondContact OG1-N 2.88Å; T169-D172 PolarHBondContact OG1-OD2 3.03Å; D172-A174 PolarHBondContact O-N 3.3Å; D172-M175 WeakPolarHBondContact O-CB 3.13Å; D172-M175 PolarHBondContact O-N 2.98Å |
| 173 | Q | 93.2 | Very high | 90.4 | Very high | 37 Ų | 37 | 80.8 Ų | 80.8 | 17% | 0.173 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -57.1 | -34.3 | -177.2 | -79.8 | 177.5 | 23.7 | 0 | 0 | 113.5 | V168 T169 M175 L176 N193 M194 | V168-Q173 HydrophobicContact CB-CG 4.09Å; V168-Q173 HydrophobicContact CG1-CG 3.9Å; V168-Q173 PolarHBondContact O-NE2 3.14Å; T169-Q173 WeakPolarHBondContact O-CG 3.3Å; T169-Q173 PolarHBondContact O-N 3.41Å; T169-Q173 VanDerWaalsContact O-N 3.09Å; Q173-M175 PolarHBondContact O-N 3.17Å; Q173-L176 CarbonylContact O-C 3.48Å; Q173-L176 PolarHBondContact O-N 2.89Å; Q173-L176 VanDerWaalsContact O-N 3.08Å; Q173-N193 HydrophobicContact CB-CB 4.1Å; Q173-N193 WeakPolarHBondContact O-CB 3.38Å; Q173-M194 WeakPolarHBondContact CG-O 3.18Å |
| 174 | A | 91 | Very high | 90.7 | Very high | 60 Ų | 60 | 86.1 Ų | 86.1 | 50% | 0.496 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -63.1 | -27.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D172 L176 S177 | D172-A174 PolarHBondContact O-N 3.3Å; A174-L176 PolarHBondContact O-N 3.44Å; A174-S177 PolarHBondContact O-OG 3.48Å |
| 175 | M | 90.6 | Very high | 90.8 | Very high | 163 Ų | 163 | 87.1 Ų | 87.1 | 80% | 0.803 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -74.4 | -17.3 | 177.3 | -57.1 | -60.7 | 163.1 | 0 | 0 | 112.5 | D172 Q173 | D172-M175 WeakPolarHBondContact O-CB 3.13Å; D172-M175 PolarHBondContact O-N 2.98Å; Q173-M175 PolarHBondContact O-N 3.17Å |
| 176 | L | 92 | Very high | 90.7 | Very high | 44 Ų | 44 | 93.2 Ų | 93.2 | 23% | 0.23 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -112.7 | 44.6 | 178.6 | -57.4 | -179.6 | 0 | 0 | 0 | 110.9 | V168 Q173 A174 M194 I198 | V168-L176 HydrophobicContact CG1-CD1 4.11Å; V168-L176 HydrophobicContact CG2-CD1 3.8Å; Q173-L176 CarbonylContact O-C 3.48Å; Q173-L176 PolarHBondContact O-N 2.89Å; Q173-L176 VanDerWaalsContact O-N 3.08Å; A174-L176 PolarHBondContact O-N 3.44Å; L176-M194 HydrophobicContact CB-CB 3.76Å; L176-M194 HydrophobicContact CB-CG 4.12Å; L176-M194 HydrophobicContact CD1-CB 4.29Å; L176-M194 WeakPolarHBondContact O-CG 3.27Å; L176-M194 PolarHBondContact O-N 2.83Å; L176-I198 HydrophobicContact CD1-CG1 4.42Å; L176-I198 HydrophobicContact CD2-CD1 3.75Å; L176-I198 HydrophobicContact CD2-CG1 4.33Å |
| 177 | S | 92.7 | Very high | 90.7 | Very high | 46 Ų | 46 | 95.7 Ų | 95.7 | 32% | 0.322 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 143.2 | 176.3 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | A174 H191 F192 N193 | A174-S177 PolarHBondContact O-OG 3.48Å; S177-H191 WeakPolarHBondContact CB-NE2 3.39Å; S177-F192 CarbonylContact C-O 3.58Å; S177-F192 VanDerWaalsContact CA-O 3.27Å; S177-F192 WeakPolarHBondContact CA-O 3.3Å; S177-N193 PolarHBondContact OG-OD1 3.37Å |
| 178 | F | 92.6 | Very high | 90.5 | Very high | 69 Ų | 69 | 94 Ų | 94 | 30% | 0.303 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.7 | 175.5 | 66.9 | -80.9 | 0 | 0 | 0 | 110.7 | W180 F192 M194 | F178-W180 HydrophobicContact CD2-CB 4.16Å; F178-W180 HydrophobicContact CE2-CB 3.94Å; F178-W180 HydrophobicContact CE2-CE3 4.37Å; F178-F192 HydrophobicContact CD1-CB 4.17Å; F178-F192 WeakPolarHBondContact CD1-O 3.41Å; F178-F192 HydrophobicContact CD2-CB 4.44Å; F178-F192 HydrophobicContact CE1-CB 3.64Å; F178-F192 HydrophobicContact CE2-CB 3.95Å; F178-F192 HydrophobicContact CE2-CD2 4.34Å; F178-F192 HydrophobicContact CE2-CG 4.45Å; F178-F192 HydrophobicContact CZ-CB 3.52Å; F178-F192 HydrophobicContact CZ-CG 4.27Å; F178-F192 PolarHBondContact N-O 3.45Å; F178-F192 PolarHBondContact O-N 2.91Å; F178-M194 HydrophobicContact CD1-CE 3.72Å; F178-M194 HydrophobicContact CD1-CG 4Å; F178-M194 HydrophobicContact CD1-SD 4.09Å; F178-M194 HydrophobicContact CE1-CE 3.69Å; F178-M194 HydrophobicContact CE1-CG 4.01Å; F178-M194 HydrophobicContact CE1-SD 3.65Å; F178-M194 HydrophobicContact CG-CE 4.31Å; F178-M194 HydrophobicContact CZ-CE 4.25Å; F178-M194 HydrophobicContact CZ-SD 4.41Å |
| 179 | L | 93.7 | Very high | 90.4 | Very high | 119 Ų | 119 | 97 Ų | 97 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128.6 | 175.8 | -67.7 | 178.3 | 0 | 0 | 0 | 109 | V189 G190 H191 | L179-V189 HydrophobicContact CB-CG1 3.7Å; L179-V189 HydrophobicContact CD2-CG1 4.25Å; L179-V189 HydrophobicContact CG-CG1 4.42Å; L179-G190 CarbonylContact C-O 3.6Å; L179-G190 WeakPolarHBondContact CA-O 3.48Å; L179-H191 HydrophobicContact CD2-CB 4.18Å |
| 180 | W | 92.4 | Very high | 90.4 | Very high | 144 Ų | 144 | 96.3 Ų | 96.3 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 107 | 179.4 | -172.7 | -91.6 | 0 | 0 | 0 | 111.1 | F178 G190 F192 | F178-W180 HydrophobicContact CD2-CB 4.16Å; F178-W180 HydrophobicContact CE2-CB 3.94Å; F178-W180 HydrophobicContact CE2-CE3 4.37Å; W180-G190 PolarHBondContact N-O 3.34Å; W180-G190 PolarHBondContact O-N 3.3Å; W180-F192 HydrophobicContact CB-CD2 3.69Å; W180-F192 HydrophobicContact CB-CE2 3.75Å |
| 181 | P | 89.7 | Confident | 90.5 | Very high | 80 Ų | 80 | 93.2 Ų | 93.2 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 135 | 171.1 | 29.8 | -31 | 0 | 0 | 0 | 109.5 | P183 V189 | P181-P183 WeakPolarHBondContact O-CD 3.44Å; P181-V189 HydrophobicContact CB-CG2 4.42Å |
| 182 | K | 87.8 | Confident | 90.6 | Very high | 130 Ų | 130 | 94 Ų | 94 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 126.1 | 170 | -75.3 | -176.1 | -178.2 | 176.5 | 0 | 108.6 | N184 S185 | K182-N184 PolarHBondContact O-N 2.98Å; K182-S185 PolarHBondContact O-N 3.34Å |
| 183 | P | 86.6 | Confident | 90.8 | Very high | 99 Ų | 99 | 93.5 Ų | 93.5 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 136.7 | 175.8 | -21.7 | 31.3 | 0 | 0 | 0 | 110.5 | P181 S185 | P181-P183 WeakPolarHBondContact O-CD 3.44Å; P183-S185 VanDerWaalsContact C-N 3.3Å; P183-S185 PolarHBondContact O-N 2.96Å |
| 184 | N | 86.5 | Confident | 90.8 | Very high | 178 Ų | 178 | 95 Ų | 95 | 95% | 0.952 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 35.4 | 176 | -52.6 | -31.3 | 0 | 0 | 0 | 114.7 | K182 | K182-N184 PolarHBondContact O-N 2.98Š|
| 185 | S | 87.5 | Confident | 90.9 | Very high | 53 Ų | 53 | 101 Ų | 101 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | trans | -136.5 | 134.1 | 178.4 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | K182 P183 T187 | K182-S185 PolarHBondContact O-N 3.34Å; P183-S185 VanDerWaalsContact C-N 3.3Å; P183-S185 PolarHBondContact O-N 2.96Å; S185-T187 PolarHBondContact O-N 3.47Å; S185-T187 VanDerWaalsContact OG-CG2 3.3Å; S185-T187 WeakPolarHBondContact OG-CG2 3.44Å; S185-T187 PolarHBondContact OG-N 3.44Å; S185-T187 PolarHBondContact OG-OG1 2.88Å | ||
| 186 | D | 87.4 | Confident | 91 | Very high | 177 Ų | 177 | 95.9 Ų | 95.9 | 95% | 0.947 | 50% | 0.503 | S | S | * | . | trans | -75.7 | 8.4 | 173.5 | -63 | -36 | 0 | 0 | 0 | 113 | ||||
| 187 | T | 90.4 | Very high | 91 | Very high | 61 Ų | 61 | 96 Ų | 96 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -65.3 | 142.1 | 176.5 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | S185 | S185-T187 PolarHBondContact O-N 3.47Å; S185-T187 VanDerWaalsContact OG-CG2 3.3Å; S185-T187 WeakPolarHBondContact OG-CG2 3.44Å; S185-T187 PolarHBondContact OG-N 3.44Å; S185-T187 PolarHBondContact OG-OG1 2.88Å |
| 188 | P | 89 | Confident | 90.8 | Very high | 118 Ų | 118 | 96.4 Ų | 96.4 | 77% | 0.766 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 145 | 172.4 | -26.9 | 34 | 0 | 0 | 0 | 112.2 | G190 | P188-G190 PolarHBondContact O-N 2.99Š|
| 189 | V | 91 | Very high | 90.4 | Very high | 82 Ų | 82 | 102.4 Ų | 102.4 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 123.1 | 179.3 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | L179 P181 | L179-V189 HydrophobicContact CB-CG1 3.7Å; L179-V189 HydrophobicContact CD2-CG1 4.25Å; L179-V189 HydrophobicContact CG-CG1 4.42Å; P181-V189 HydrophobicContact CB-CG2 4.42Å |
| 190 | G | 90.9 | Very high | 89.9 | Confident | 20 Ų | 20 | 100.5 Ų | 100.5 | 21% | 0.206 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 138.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L179 W180 P188 F192 | L179-G190 CarbonylContact C-O 3.6Å; L179-G190 WeakPolarHBondContact CA-O 3.48Å; W180-G190 PolarHBondContact N-O 3.34Å; W180-G190 PolarHBondContact O-N 3.3Å; P188-G190 PolarHBondContact O-N 2.99Å; G190-F192 WeakPolarHBondContact O-CD2 3.28Å |
| 191 | H | 93.6 | Very high | 89.6 | Confident | 126 Ų | 126 | 95 Ų | 95 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.7 | 174.1 | -175.4 | -108.1 | 0 | 0 | 0 | 109.4 | S177 L179 | S177-H191 WeakPolarHBondContact CB-NE2 3.39Å; L179-H191 HydrophobicContact CD2-CB 4.18Å |
| 192 | F | 93.9 | Very high | 89.5 | Confident | 98 Ų | 98 | 96.4 Ų | 96.4 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.4 | -173.5 | -62.7 | -83.1 | 0 | 0 | 0 | 111.1 | S177 F178 W180 G190 | S177-F192 CarbonylContact C-O 3.58Å; S177-F192 VanDerWaalsContact CA-O 3.27Å; S177-F192 WeakPolarHBondContact CA-O 3.3Å; F178-F192 HydrophobicContact CD1-CB 4.17Å; F178-F192 WeakPolarHBondContact CD1-O 3.41Å; F178-F192 HydrophobicContact CD2-CB 4.44Å; F178-F192 HydrophobicContact CE1-CB 3.64Å; F178-F192 HydrophobicContact CE2-CB 3.95Å; F178-F192 HydrophobicContact CE2-CD2 4.34Å; F178-F192 HydrophobicContact CE2-CG 4.45Å; F178-F192 HydrophobicContact CZ-CB 3.52Å; F178-F192 HydrophobicContact CZ-CG 4.27Å; F178-F192 PolarHBondContact N-O 3.45Å; F178-F192 PolarHBondContact O-N 2.91Å; W180-F192 HydrophobicContact CB-CD2 3.69Å; W180-F192 HydrophobicContact CB-CE2 3.75Å; G190-F192 WeakPolarHBondContact O-CD2 3.28Å |
| 193 | N | 94.3 | Very high | 89.5 | Confident | 60 Ų | 60 | 93.6 Ų | 93.6 | 32% | 0.321 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.8 | 176.1 | -60.4 | 3.2 | 0 | 0 | 0 | 109.7 | Q173 S177 R195 | Q173-N193 HydrophobicContact CB-CB 4.1Å; Q173-N193 WeakPolarHBondContact O-CB 3.38Å; S177-N193 PolarHBondContact OG-OD1 3.37Å; N193-R195 PolarHBondContact O-N 3.1Å |
| 194 | M | 93.4 | Very high | 89.6 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 34% | 0.335 | 51% | 0.509 | S | S | . | . | trans | -65.4 | 125.7 | 175.3 | -67.7 | -69.8 | -172.2 | 0 | 0 | 110.5 | Q173 L176 F178 I198 | Q173-M194 WeakPolarHBondContact CG-O 3.18Å; L176-M194 HydrophobicContact CB-CB 3.76Å; L176-M194 HydrophobicContact CB-CG 4.12Å; L176-M194 HydrophobicContact CD1-CB 4.29Å; L176-M194 WeakPolarHBondContact O-CG 3.27Å; L176-M194 PolarHBondContact O-N 2.83Å; F178-M194 HydrophobicContact CD1-CE 3.72Å; F178-M194 HydrophobicContact CD1-CG 4Å; F178-M194 HydrophobicContact CD1-SD 4.09Å; F178-M194 HydrophobicContact CE1-CE 3.69Å; F178-M194 HydrophobicContact CE1-CG 4.01Å; F178-M194 HydrophobicContact CE1-SD 3.65Å; F178-M194 HydrophobicContact CG-CE 4.31Å; F178-M194 HydrophobicContact CZ-CE 4.25Å; F178-M194 HydrophobicContact CZ-SD 4.41Å; M194-I198 HydrophobicContact CB-CG2 4.06Å; M194-I198 HydrophobicContact CE-CG2 4.1Å; M194-I198 HydrophobicContact CG-CG2 3.63Å; M194-I198 HydrophobicContact SD-CG2 3.9Å | ||
| 195 | R | 92.9 | Very high | 89.6 | Confident | 185 Ų | 185 | 85.5 Ų | 85.5 | 70% | 0.698 | 49% | 0.487 | S | S | * | . | trans | -94.9 | -15.6 | 177.7 | -66.3 | -177.6 | 175.7 | -179 | 0.3 | 113.5 | R167 V168 N193 | R167-R195 VanDerWaalsContact CA-O 3.3Å; R167-R195 WeakPolarHBondContact CA-O 3.42Å; V168-R195 PolarHBondContact N-O 2.96Å; N193-R195 PolarHBondContact O-N 3.1Å | ||
| 196 | V | 92.5 | Very high | 89.7 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 34% | 0.339 | 50% | 0.497 | S | S | . | . | B | Isolated β-bridge | trans | -123.4 | 149.2 | -178.8 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | N165 V166 I198 | N165-V196 HydrophobicContact CB-CG1 4.01Å; V166-V196 CarbonylContact O-C 3.58Å; V166-V196 WeakPolarHBondContact O-CA 3.27Å; V166-V196 WeakPolarHBondContact O-CG1 3.43Å; V196-I198 PolarHBondContact O-N 2.99Å |
| 197 | H | 91.4 | Very high | 89.9 | Confident | 48 Ų | 48 | 79.3 Ų | 79.3 | 22% | 0.222 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 136.8 | 179.4 | -160.4 | -64.2 | 0 | 0 | 0 | 111.3 | V166 C203 S204 | V166-H197 HydrophobicContact CB-CB 4.2Å; V166-H197 PolarHBondContact O-N 3.27Å; H197-C203 PolarHBondContact NE2-SG 3.03Å; H197-S204 WeakPolarHBondContact CE1-CA 3.42Å; H197-S204 PolarHBondContact CE1-OG 2.73Å; H197-S204 VanDerWaalsContact CE1-OG 3.31Å |
| 198 | I | 89.4 | Confident | 89.8 | Confident | 53 Ų | 53 | 79.7 Ų | 79.7 | 27% | 0.272 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 165.4 | 179.8 | 60.6 | 166.9 | 0 | 0 | 0 | 111.9 | L176 M194 V196 A201 S204 | L176-I198 HydrophobicContact CD1-CG1 4.42Å; L176-I198 HydrophobicContact CD2-CD1 3.75Å; L176-I198 HydrophobicContact CD2-CG1 4.33Å; M194-I198 HydrophobicContact CB-CG2 4.06Å; M194-I198 HydrophobicContact CE-CG2 4.1Å; M194-I198 HydrophobicContact CG-CG2 3.63Å; M194-I198 HydrophobicContact SD-CG2 3.9Å; V196-I198 PolarHBondContact O-N 2.99Å; I198-A201 HydrophobicContact CD1-CB 4.48Å; I198-A201 HydrophobicContact CG1-CB 4.1Å; I198-S204 PolarHBondContact O-OG 3.2Å |
| 199 | F | 84 | Confident | 89.8 | Confident | 195 Ų | 195 | 76 Ų | 76 | 86% | 0.855 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 148.6 | 166.2 | -63.3 | -76.6 | 0 | 0 | 0 | 110.8 | A201 | F199-A201 VanDerWaalsContact C-N 3.32Å; F199-A201 PolarHBondContact O-N 2.87Å |
| 200 | G | 83.3 | Confident | 89.8 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 83% | 0.825 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -2.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | S204 | G200-S204 PolarHBondContact N-OG 2.86Š|
| 201 | A | 86.2 | Confident | 89.8 | Confident | 27 Ų | 27 | 74.5 Ų | 74.5 | 22% | 0.223 | 42% | 0.42 | C | S | . | . | trans | -66.8 | 149.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I198 F199 C203 S204 | I198-A201 HydrophobicContact CD1-CB 4.48Å; I198-A201 HydrophobicContact CG1-CB 4.1Å; F199-A201 VanDerWaalsContact C-N 3.32Å; F199-A201 PolarHBondContact O-N 2.87Å; A201-C203 PolarHBondContact O-N 3.37Å; A201-C203 VanDerWaalsContact O-N 3.16Å; A201-S204 WeakPolarHBondContact CA-OG 3.29Å; A201-S204 WeakPolarHBondContact CB-OG 3.41Å; A201-S204 PolarHBondContact N-OG 2.82Å; A201-S204 WeakPolarHBondContact O-CB 3.32Å; A201-S204 PolarHBondContact O-N 3.07Å; A201-S204 PolarHBondContact O-OG 3.31Å | ||
| 202 | A | 86.9 | Confident | 89.7 | Confident | 111 Ų | 111 | 70.1 Ų | 70.1 | 92% | 0.917 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -35 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 203 | C | 87.5 | Confident | 89.6 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 47% | 0.473 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.8 | 177 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | H197 A201 L205 S206 V207 | H197-C203 PolarHBondContact NE2-SG 3.03Å; A201-C203 PolarHBondContact O-N 3.37Å; A201-C203 VanDerWaalsContact O-N 3.16Å; C203-L205 PolarHBondContact O-N 2.61Å; C203-S206 PolarHBondContact O-N 3.09Å; C203-V207 VanDerWaalsContact O-CG2 3.26Å; C203-V207 WeakPolarHBondContact O-CG2 3.41Å; C203-V207 PolarHBondContact O-N 2.83Å; C203-V207 VanDerWaalsContact O-N 3.1Å |
| 204 | S | 89.2 | Confident | 89.4 | Confident | 12 Ų | 12 | 72 Ų | 72 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.1 | -37.9 | -175.8 | -50.3 | 0 | 0 | 0 | 0 | 112.1 | H197 I198 G200 A201 V207 C208 | H197-S204 WeakPolarHBondContact CE1-CA 3.42Å; H197-S204 PolarHBondContact CE1-OG 2.73Å; H197-S204 VanDerWaalsContact CE1-OG 3.31Å; I198-S204 PolarHBondContact O-OG 3.2Å; G200-S204 PolarHBondContact N-OG 2.86Å; A201-S204 WeakPolarHBondContact CA-OG 3.29Å; A201-S204 WeakPolarHBondContact CB-OG 3.41Å; A201-S204 PolarHBondContact N-OG 2.82Å; A201-S204 WeakPolarHBondContact O-CB 3.32Å; A201-S204 PolarHBondContact O-N 3.07Å; A201-S204 PolarHBondContact O-OG 3.31Å; S204-V207 PolarHBondContact O-N 2.85Å; S204-C208 WeakPolarHBondContact O-CB 3.49Å; S204-C208 PolarHBondContact O-N 3.01Å; S204-C208 PolarHBondContact O-SG 3.48Å |
| 205 | L | 88 | Confident | 89.2 | Confident | 95 Ų | 95 | 69.8 Ų | 69.8 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | -177.4 | -141.9 | 64.3 | 0 | 0 | 0 | 111.5 | C203 V207 C208 T209 V236 | C203-L205 PolarHBondContact O-N 2.61Å; L205-V207 VanDerWaalsContact C-N 3.3Å; L205-V207 PolarHBondContact O-N 3.35Å; L205-C208 PolarHBondContact O-N 3.11Å; L205-T209 PolarHBondContact O-N 3.37Å; L205-T209 PolarHBondContact O-OG1 2.99Å; L205-V236 HydrophobicContact CD1-CG1 3.28Å; L205-V236 HydrophobicContact CD2-CB 4.33Å; L205-V236 HydrophobicContact CD2-CG1 3.56Å; L205-V236 HydrophobicContact CD2-CG2 3.78Å; L205-V236 HydrophobicContact CG-CB 4.44Å; L205-V236 HydrophobicContact CG-CG1 3.48Å; L205-V236 VanDerWaalsContact CG-CG1 3.48Å; L205-V236 HydrophobicContact CG-CG2 4.3Å |
| 206 | S | 88.6 | Confident | 89.2 | Confident | 83 Ų | 83 | 61 Ų | 61 | 58% | 0.58 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.6 | -38.1 | 177.3 | -51.3 | 0 | 0 | 0 | 0 | 111.8 | C203 T209 Y210 | C203-S206 PolarHBondContact O-N 3.09Å; S206-T209 PolarHBondContact O-N 3.11Å; S206-Y210 PolarHBondContact O-N 3.41Å |
| 207 | V | 90.9 | Very high | 89.1 | Confident | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 177.7 | 177 | 0 | 0 | 0 | 0 | 110.9 | L153 V166 C203 S204 L205 Y210 V211 | L153-V207 HydrophobicContact CD2-CB 4.45Å; L153-V207 HydrophobicContact CD2-CG1 4.14Å; L153-V207 HydrophobicContact CD2-CG2 4.05Å; V166-V207 HydrophobicContact CB-CG1 4Å; V166-V207 HydrophobicContact CG1-CG1 4.08Å; V166-V207 HydrophobicContact CG2-CG1 3.73Å; C203-V207 VanDerWaalsContact O-CG2 3.26Å; C203-V207 WeakPolarHBondContact O-CG2 3.41Å; C203-V207 PolarHBondContact O-N 2.83Å; C203-V207 VanDerWaalsContact O-N 3.1Å; S204-V207 PolarHBondContact O-N 2.85Å; L205-V207 VanDerWaalsContact C-N 3.3Å; L205-V207 PolarHBondContact O-N 3.35Å; V207-Y210 PolarHBondContact O-N 3.21Å; V207-V211 WeakPolarHBondContact O-CG2 3.41Å; V207-V211 PolarHBondContact O-N 3.1Å |
| 208 | C | 88.6 | Confident | 88.9 | Confident | 69 Ų | 69 | 62.7 Ų | 62.7 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 174.3 | -73.3 | 0 | 0 | 0 | 0 | 111.3 | S204 L205 Y210 V211 L212 | S204-C208 WeakPolarHBondContact O-CB 3.49Å; S204-C208 PolarHBondContact O-N 3.01Å; S204-C208 PolarHBondContact O-SG 3.48Å; L205-C208 PolarHBondContact O-N 3.11Å; C208-Y210 VanDerWaalsContact C-N 3.33Å; C208-Y210 PolarHBondContact O-N 2.88Å; C208-V211 PolarHBondContact O-N 3Å; C208-L212 VanDerWaalsContact O-CB 3.26Å; C208-L212 WeakPolarHBondContact O-CB 3.45Å; C208-L212 PolarHBondContact O-N 3.26Å |
| 209 | T | 89.7 | Confident | 88.9 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | L205 S206 L212 R213 | L205-T209 PolarHBondContact O-N 3.37Å; L205-T209 PolarHBondContact O-OG1 2.99Å; S206-T209 PolarHBondContact O-N 3.11Å; T209-L212 PolarHBondContact O-N 3.37Å; T209-R213 WeakPolarHBondContact O-CB 3.28Å; T209-R213 WeakPolarHBondContact O-CG 3.32Å; T209-R213 PolarHBondContact O-N 3.47Å |
| 210 | Y | 91.4 | Very high | 89.1 | Confident | 42 Ų | 42 | 56 Ų | 56 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 175.7 | 175.4 | -91.5 | 0 | 0 | 0 | 111.8 | L150 L153 Q154 T157 S206 V207 C208 L212 R213 R214 | L150-Y210 HydrophobicContact CD1-CD2 4.24Å; L150-Y210 HydrophobicContact CD1-CE2 3.96Å; L153-Y210 HydrophobicContact CB-CD1 3.96Å; L153-Y210 HydrophobicContact CB-CD2 4.2Å; L153-Y210 HydrophobicContact CB-CE1 3.83Å; L153-Y210 HydrophobicContact CB-CE2 4.06Å; L153-Y210 HydrophobicContact CB-CG 4.15Å; L153-Y210 HydrophobicContact CD1-CD1 4.31Å; L153-Y210 HydrophobicContact CD1-CD2 3.95Å; L153-Y210 HydrophobicContact CD1-CG 3.79Å; L153-Y210 HydrophobicContact CD2-CD1 3.98Å; L153-Y210 HydrophobicContact CD2-CG 4.25Å; L153-Y210 HydrophobicContact CG-CD1 4.32Å; L153-Y210 HydrophobicContact CG-CG 4.3Å; Q154-Y210 WeakPolarHBondContact CA-OH 2.92Å; Q154-Y210 WeakPolarHBondContact CG-OH 3.46Å; T157-Y210 HydrophobicContact CG2-CE1 4.4Å; T157-Y210 WeakPolarHBondContact OG1-CE1 2.85Å; S206-Y210 PolarHBondContact O-N 3.41Å; V207-Y210 PolarHBondContact O-N 3.21Å; C208-Y210 VanDerWaalsContact C-N 3.33Å; C208-Y210 PolarHBondContact O-N 2.88Å; Y210-L212 VanDerWaalsContact C-N 3.34Å; Y210-L212 PolarHBondContact O-N 3.01Å; Y210-R213 PolarHBondContact O-N 3.47Å; Y210-R214 HydrophobicContact CE1-CB 4.48Å; Y210-R214 VanDerWaalsContact O-CB 3.27Å; Y210-R214 WeakPolarHBondContact O-CB 3.49Å; Y210-R214 PolarHBondContact O-N 2.87Å |
| 211 | V | 91 | Very high | 89.2 | Confident | 28 Ų | 28 | 57.2 Ų | 57.2 | 17% | 0.17 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 179.3 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | M164 V166 V207 C208 R214 T215 | M164-V211 HydrophobicContact CB-CG1 3.49Å; M164-V211 VanDerWaalsContact CB-CG1 3.49Å; M164-V211 HydrophobicContact CG-CG1 4.15Å; V166-V211 HydrophobicContact CG2-CG2 3.53Å; V207-V211 WeakPolarHBondContact O-CG2 3.41Å; V207-V211 PolarHBondContact O-N 3.1Å; C208-V211 PolarHBondContact O-N 3Å; V211-R214 PolarHBondContact O-N 3.37Å; V211-T215 WeakPolarHBondContact O-CB 3.47Å; V211-T215 PolarHBondContact O-N 2.76Å; V211-T215 PolarHBondContact O-OG1 2.78Å |
| 212 | L | 90.2 | Very high | 89 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 18% | 0.183 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.7 | -51.5 | 177.4 | 179.7 | 68.8 | 0 | 0 | 0 | 111.1 | C208 T209 Y210 R214 T215 A216 V230 F234 L260 | C208-L212 VanDerWaalsContact O-CB 3.26Å; C208-L212 WeakPolarHBondContact O-CB 3.45Å; C208-L212 PolarHBondContact O-N 3.26Å; T209-L212 PolarHBondContact O-N 3.37Å; Y210-L212 VanDerWaalsContact C-N 3.34Å; Y210-L212 PolarHBondContact O-N 3.01Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 3.36Å; L212-T215 PolarHBondContact O-N 3.01Å; L212-A216 PolarHBondContact O-N 3.38Å; L212-V230 HydrophobicContact CD1-CG1 4.34Å; L212-V230 HydrophobicContact CD2-CG1 3.98Å; L212-V230 HydrophobicContact CG-CG1 3.64Å; L212-F234 HydrophobicContact CD2-CB 4.28Å; L212-F234 HydrophobicContact CD2-CD1 3.5Å; L212-F234 HydrophobicContact CD2-CD2 4.35Å; L212-F234 HydrophobicContact CD2-CE1 3.8Å; L212-F234 HydrophobicContact CD2-CG 3.79Å; L212-F234 HydrophobicContact CD2-CZ 4.32Å; L212-L260 HydrophobicContact CD1-CD1 3.89Å; L212-L260 HydrophobicContact CD1-CD2 3.5Å; L212-L260 VanDerWaalsContact CD1-CD2 3.5Å; L212-L260 HydrophobicContact CD1-CG 4.35Å |
| 213 | R | 91.5 | Very high | 89.1 | Confident | 103 Ų | 103 | 56.1 Ų | 56.1 | 39% | 0.389 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.7 | -75.7 | 178.2 | 175.9 | 179.8 | -2.8 | 112 | T209 Y210 T215 A216 E217 V230 F231 | T209-R213 WeakPolarHBondContact O-CB 3.28Å; T209-R213 WeakPolarHBondContact O-CG 3.32Å; T209-R213 PolarHBondContact O-N 3.47Å; Y210-R213 PolarHBondContact O-N 3.47Å; R213-T215 VanDerWaalsContact C-N 3.33Å; R213-T215 PolarHBondContact O-N 2.69Å; R213-A216 PolarHBondContact O-N 3.24Å; R213-E217 WeakPolarHBondContact O-CB 3.36Å; R213-E217 PolarHBondContact O-N 3.25Å; R213-V230 HydrophobicContact CG-CG1 4.44Å; R213-F231 HydrophobicContact CB-CD1 4.39Å; R213-F231 HydrophobicContact CB-CE1 3.73Å; R213-F231 HydrophobicContact CB-CE2 4.34Å; R213-F231 HydrophobicContact CB-CZ 3.7Å; R213-F231 HydrophobicContact CG-CD1 3.9Å; R213-F231 HydrophobicContact CG-CE1 3.76Å; R213-F231 HydrophobicContact CG-CE2 4.46Å; R213-F231 HydrophobicContact CG-CG 4.34Å; R213-F231 HydrophobicContact CG-CZ 4.05Å; R213-F231 PolarHBondContact NH2-O 2.8Å |
| 214 | R | 90.9 | Very high | 89.1 | Confident | 95 Ų | 95 | 57 Ų | 57 | 36% | 0.358 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 177.2 | -176.9 | 61.2 | -170.6 | -167.5 | -2.3 | 112.1 | M164 Y210 V211 L212 E217 D218 | M164-R214 HydrophobicContact CE-CB 3.99Å; M164-R214 HydrophobicContact CE-CG 3.38Å; Y210-R214 HydrophobicContact CE1-CB 4.48Å; Y210-R214 VanDerWaalsContact O-CB 3.27Å; Y210-R214 WeakPolarHBondContact O-CB 3.49Å; Y210-R214 PolarHBondContact O-N 2.87Å; V211-R214 PolarHBondContact O-N 3.37Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 3.36Å; R214-E217 IonicContact CZ-OE2 2.62Å; R214-E217 IonicContact NH1-OE2 3.24Å; R214-E217 PolarHBondContact NH1-OE2 3.13Å; R214-E217 VanDerWaalsContact NH1-OE2 3.1Å; R214-E217 PolarHBondContact O-N 2.95Å; R214-D218 IonicContact CZ-OD1 3.79Å; R214-D218 IonicContact NE-OD1 3.14Å; R214-D218 PolarHBondContact NE-OD1 3.18Å; R214-D218 IonicContact NE-OD2 2.84Å; R214-D218 IonicContact NH2-OD1 2.79Å; R214-D218 PolarHBondContact NH2-OD1 2.91Å; R214-D218 WeakPolarHBondContact O-CB 3.45Å; R214-D218 VanDerWaalsContact O-CG 3.27Å; R214-D218 PolarHBondContact O-N 2.72Å |
| 215 | T | 90.2 | Very high | 88.9 | Confident | 21 Ų | 21 | 61 Ų | 61 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | V211 L212 R213 N219 L260 | V211-T215 WeakPolarHBondContact O-CB 3.47Å; V211-T215 PolarHBondContact O-N 2.76Å; V211-T215 PolarHBondContact O-OG1 2.78Å; L212-T215 PolarHBondContact O-N 3.01Å; R213-T215 VanDerWaalsContact C-N 3.33Å; R213-T215 PolarHBondContact O-N 2.69Å; T215-N219 PolarHBondContact O-N 3.49Å; T215-N219 PolarHBondContact O-ND2 2.8Å; T215-N219 VanDerWaalsContact O-ND2 3.17Å; T215-L260 HydrophobicContact CG2-CD2 4.4Å |
| 216 | A | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L212 R213 N219 K220 W227 V230 F231 M259 | L212-A216 PolarHBondContact O-N 3.38Å; R213-A216 PolarHBondContact O-N 3.24Å; A216-N219 CarbonylContact O-C 3.54Å; A216-N219 PolarHBondContact O-N 3.28Å; A216-K220 PolarHBondContact O-N 3.12Å; A216-K220 VanDerWaalsContact O-N 3.07Å; A216-W227 HydrophobicContact CB-CB 4.35Å; A216-V230 HydrophobicContact CB-CB 3.78Å; A216-V230 HydrophobicContact CB-CG1 3.91Å; A216-V230 HydrophobicContact CB-CG2 3.85Å; A216-F231 HydrophobicContact CB-CE2 4.29Å; A216-M259 HydrophobicContact CB-CE 3.79Å; A216-M259 HydrophobicContact CB-SD 4.26Å |
| 217 | E | 91 | Very high | 89.2 | Confident | 77 Ų | 77 | 55.9 Ų | 55.9 | 36% | 0.36 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 178.2 | -173.1 | -180 | -150 | 0 | 0 | 112.6 | R213 R214 N219 K220 | R213-E217 WeakPolarHBondContact O-CB 3.36Å; R213-E217 PolarHBondContact O-N 3.25Å; R214-E217 IonicContact CZ-OE2 2.62Å; R214-E217 IonicContact NH1-OE2 3.24Å; R214-E217 PolarHBondContact NH1-OE2 3.13Å; R214-E217 VanDerWaalsContact NH1-OE2 3.1Å; R214-E217 PolarHBondContact O-N 2.95Å; E217-N219 PolarHBondContact O-N 2.96Å; E217-K220 WeakPolarHBondContact O-CB 3.42Å; E217-K220 VanDerWaalsContact O-CG 3.27Å; E217-K220 WeakPolarHBondContact O-CG 3.34Å; E217-K220 PolarHBondContact O-N 3.24Å |
| 218 | D | 88.4 | Confident | 89.3 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.6 | -26.6 | 178.1 | -73.7 | -16.9 | 0 | 0 | 0 | 111.9 | R214 | R214-D218 IonicContact CZ-OD1 3.79Å; R214-D218 IonicContact NE-OD1 3.14Å; R214-D218 PolarHBondContact NE-OD1 3.18Å; R214-D218 IonicContact NE-OD2 2.84Å; R214-D218 IonicContact NH2-OD1 2.79Å; R214-D218 PolarHBondContact NH2-OD1 2.91Å; R214-D218 WeakPolarHBondContact O-CB 3.45Å; R214-D218 VanDerWaalsContact O-CG 3.27Å; R214-D218 PolarHBondContact O-N 2.72Å |
| 219 | N | 88.6 | Confident | 89.4 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 9 | -178.2 | -64.6 | -34.1 | 0 | 0 | 0 | 113.8 | T215 A216 E217 T221 Q222 F223 M259 | T215-N219 PolarHBondContact O-N 3.49Å; T215-N219 PolarHBondContact O-ND2 2.8Å; T215-N219 VanDerWaalsContact O-ND2 3.17Å; A216-N219 CarbonylContact O-C 3.54Å; A216-N219 PolarHBondContact O-N 3.28Å; E217-N219 PolarHBondContact O-N 2.96Å; N219-T221 PolarHBondContact O-N 2.99Å; N219-T221 VanDerWaalsContact O-N 3.16Å; N219-Q222 PolarHBondContact O-N 3.1Å; N219-Q222 VanDerWaalsContact O-N 3.09Å; N219-Q222 PolarHBondContact O-OE1 2.6Å; N219-F223 HydrophobicContact CB-CD2 4.18Å; N219-F223 PolarHBondContact O-N 2.86Å; N219-M259 HydrophobicContact CB-CG 3.71Å; N219-M259 PolarHBondContact ND2-O 3.1Å |
| 220 | K | 88.1 | Confident | 89.5 | Confident | 100 Ų | 100 | 57.8 Ų | 57.8 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -32.1 | -175.7 | 73.2 | -174.5 | -179.9 | -178.4 | 0 | 113.8 | A216 E217 Q222 F223 P224 W227 | A216-K220 PolarHBondContact O-N 3.12Å; A216-K220 VanDerWaalsContact O-N 3.07Å; E217-K220 WeakPolarHBondContact O-CB 3.42Å; E217-K220 VanDerWaalsContact O-CG 3.27Å; E217-K220 WeakPolarHBondContact O-CG 3.34Å; E217-K220 PolarHBondContact O-N 3.24Å; K220-Q222 VanDerWaalsContact C-N 3.35Å; K220-F223 CarbonylContact O-C 3.59Å; K220-P224 WeakPolarHBondContact O-CA 3.31Å; K220-W227 HydrophobicContact CB-CB 4.31Å; K220-W227 HydrophobicContact CB-CD2 3.88Å; K220-W227 HydrophobicContact CB-CE3 4.44Å; K220-W227 HydrophobicContact CB-CG 3.77Å |
| 221 | T | 85.9 | Confident | 89.4 | Confident | 106 Ų | 106 | 58.9 Ų | 58.9 | 65% | 0.65 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -32.5 | -179.5 | 43.8 | 0 | 0 | 0 | 0 | 112.5 | N219 | N219-T221 PolarHBondContact O-N 2.99Å; N219-T221 VanDerWaalsContact O-N 3.16Å |
| 222 | Q | 82.5 | Confident | 89.3 | Confident | 90 Ų | 90 | 62.9 Ų | 62.9 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -30.2 | 179.2 | -64.6 | 76.7 | 13.1 | 0 | 0 | 111.2 | N219 K220 P224 Y262 | N219-Q222 PolarHBondContact O-N 3.1Å; N219-Q222 VanDerWaalsContact O-N 3.09Å; N219-Q222 PolarHBondContact O-OE1 2.6Å; K220-Q222 VanDerWaalsContact C-N 3.35Å; Q222-P224 VanDerWaalsContact C-CD 3.46Å; Q222-P224 WeakPolarHBondContact O-CD 3.5Å; Q222-Y262 HydrophobicContact CG-CE1 4.36Å |
| 223 | F | 88.8 | Confident | 89.4 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | trans | -128.6 | 62.9 | -174.4 | -61.3 | -85.2 | 0 | 0 | 0 | 112.1 | N219 K220 T225 V226 W227 D255 L258 M259 Y262 | N219-F223 HydrophobicContact CB-CD2 4.18Å; N219-F223 PolarHBondContact O-N 2.86Å; K220-F223 CarbonylContact O-C 3.59Å; F223-T225 PolarHBondContact O-N 3.38Å; F223-V226 HydrophobicContact CB-CG2 3.78Å; F223-V226 HydrophobicContact CD1-CG2 4.42Å; F223-V226 HydrophobicContact CG-CG2 4.48Å; F223-V226 PolarHBondContact O-N 3.25Å; F223-W227 PolarHBondContact O-N 2.93Å; F223-D255 HydrophobicContact CD1-CB 4.38Å; F223-L258 HydrophobicContact CE1-CB 3.84Å; F223-L258 HydrophobicContact CZ-CB 3.93Å; F223-M259 HydrophobicContact CB-CB 4.01Å; F223-M259 HydrophobicContact CB-CG 3.84Å; F223-M259 HydrophobicContact CB-SD 3.77Å; F223-M259 HydrophobicContact CD1-CB 3.96Å; F223-M259 HydrophobicContact CD2-CB 3.62Å; F223-M259 HydrophobicContact CD2-CG 3.62Å; F223-M259 HydrophobicContact CE1-CB 4.33Å; F223-M259 HydrophobicContact CE2-CB 4.03Å; F223-M259 HydrophobicContact CE2-CG 4.35Å; F223-M259 HydrophobicContact CG-CB 3.58Å; F223-M259 HydrophobicContact CG-CG 3.8Å; F223-M259 HydrophobicContact CG-SD 4.38Å; F223-M259 HydrophobicContact CZ-CB 4.36Å; F223-Y262 AromaticContact CE2-CD2 3.8Å; F223-Y262 HydrophobicContact CE2-CD2 3.8Å; F223-Y262 HydrophobicContact CE2-CE2 4.47Å; F223-Y262 HydrophobicContact CE2-CG 4.01Å; F223-Y262 HydrophobicContact CZ-CD2 4.1Å | ||
| 224 | P | 86.4 | Confident | 89.2 | Confident | 87 Ų | 87 | 60.5 Ų | 60.5 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21.9 | -173.3 | 26.6 | -35.6 | 0 | 0 | 0 | 113.9 | K220 Q222 W227 | K220-P224 WeakPolarHBondContact O-CA 3.31Å; Q222-P224 VanDerWaalsContact C-CD 3.46Å; Q222-P224 WeakPolarHBondContact O-CD 3.5Å; P224-W227 VanDerWaalsContact O-CD1 3.28Å; P224-W227 PolarHBondContact O-NE1 2.96Å |
| 225 | T | 85.9 | Confident | 88.7 | Confident | 96 Ų | 96 | 63.6 Ų | 63.6 | 59% | 0.589 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -26.9 | -174.8 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | F223 | F223-T225 PolarHBondContact O-N 3.38Š|
| 226 | V | 90.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -18 | -170.9 | -65.4 | 0 | 0 | 0 | 0 | 114.2 | F223 E228 R229 D255 M259 | F223-V226 HydrophobicContact CB-CG2 3.78Å; F223-V226 HydrophobicContact CD1-CG2 4.42Å; F223-V226 HydrophobicContact CG-CG2 4.48Å; F223-V226 PolarHBondContact O-N 3.25Å; V226-E228 VanDerWaalsContact C-N 3.32Å; V226-E228 PolarHBondContact O-N 2.83Å; V226-R229 WeakPolarHBondContact O-CB 3.32Å; V226-R229 PolarHBondContact O-N 3.27Å; V226-R229 VanDerWaalsContact O-N 3.15Å; V226-D255 HydrophobicContact CG1-CB 3.84Å; V226-D255 HydrophobicContact CG2-CB 3.98Å; V226-M259 HydrophobicContact CG2-CB 4.48Å; V226-M259 HydrophobicContact CG2-CE 4.46Å; V226-M259 HydrophobicContact CG2-SD 4.06Å |
| 227 | W | 91.6 | Very high | 87.4 | Confident | 70 Ų | 70 | 71 Ų | 71 | 27% | 0.265 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -39.6 | -175.6 | 78.6 | -83.6 | 0 | 0 | 0 | 112.8 | A216 K220 F223 P224 R229 V230 F231 M259 | A216-W227 HydrophobicContact CB-CB 4.35Å; K220-W227 HydrophobicContact CB-CB 4.31Å; K220-W227 HydrophobicContact CB-CD2 3.88Å; K220-W227 HydrophobicContact CB-CE3 4.44Å; K220-W227 HydrophobicContact CB-CG 3.77Å; F223-W227 PolarHBondContact O-N 2.93Å; P224-W227 VanDerWaalsContact O-CD1 3.28Å; P224-W227 PolarHBondContact O-NE1 2.96Å; W227-R229 VanDerWaalsContact C-N 3.29Å; W227-R229 PolarHBondContact O-N 3.46Å; W227-V230 WeakPolarHBondContact O-CB 3.27Å; W227-V230 PolarHBondContact O-N 3.24Å; W227-F231 HydrophobicContact CE3-CD2 4.12Å; W227-F231 AromaticContact CE3-CE2 3.74Å; W227-F231 HydrophobicContact CE3-CE2 3.74Å; W227-F231 HydrophobicContact CZ3-CD2 4.04Å; W227-F231 AromaticContact CZ3-CE2 3.7Å; W227-F231 HydrophobicContact CZ3-CE2 3.7Å; W227-F231 HydrophobicContact CZ3-CZ 4.35Å; W227-M259 VanDerWaalsContact CA-SD 3.56Å; W227-M259 HydrophobicContact CB-CE 4.49Å; W227-M259 HydrophobicContact CB-SD 3.63Å |
| 228 | E | 92.1 | Very high | 87 | Confident | 113 Ų | 113 | 71.2 Ų | 71.2 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -30 | -179.8 | -171.9 | 175.3 | -164.4 | 0 | 0 | 111.9 | V226 V230 F231 N232 | V226-E228 VanDerWaalsContact C-N 3.32Å; V226-E228 PolarHBondContact O-N 2.83Å; E228-V230 PolarHBondContact O-N 3.17Å; E228-F231 WeakPolarHBondContact O-CB 3.38Å; E228-F231 PolarHBondContact O-N 3.24Å; E228-N232 PolarHBondContact O-N 3.22Å |
| 229 | R | 91.5 | Very high | 87 | Confident | 54 Ų | 54 | 71.1 Ų | 71.1 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.2 | -28.4 | 175.2 | -63.1 | 178.8 | 172.3 | -100.7 | 5.6 | 111.4 | V226 W227 F231 N232 N233 D241 F243 E248 | V226-R229 WeakPolarHBondContact O-CB 3.32Å; V226-R229 PolarHBondContact O-N 3.27Å; V226-R229 VanDerWaalsContact O-N 3.15Å; W227-R229 VanDerWaalsContact C-N 3.29Å; W227-R229 PolarHBondContact O-N 3.46Å; R229-F231 PolarHBondContact O-N 2.86Å; R229-N232 PolarHBondContact O-N 3.33Å; R229-N233 WeakPolarHBondContact O-CA 3.26Å; R229-N233 VanDerWaalsContact O-CB 3.25Å; R229-N233 WeakPolarHBondContact O-CB 3.08Å; R229-N233 PolarHBondContact O-N 3.39Å; R229-D241 WeakPolarHBondContact CD-OD2 3.48Å; R229-D241 IonicContact CZ-OD2 2.82Å; R229-D241 IonicContact NE-OD2 3.8Å; R229-D241 IonicContact NH1-OD1 3.62Å; R229-D241 PolarHBondContact NH1-OD1 2.73Å; R229-D241 IonicContact NH1-OD2 3.4Å; R229-D241 PolarHBondContact NH1-OD2 3.47Å; R229-F243 VanDerWaalsContact CZ-CE1 3.42Å; R229-E248 IonicContact NH2-OE1 3.97Å |
| 230 | V | 91.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.8 | -32 | 174 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | L212 R213 A216 W227 E228 F234 L256 M259 | L212-V230 HydrophobicContact CD1-CG1 4.34Å; L212-V230 HydrophobicContact CD2-CG1 3.98Å; L212-V230 HydrophobicContact CG-CG1 3.64Å; R213-V230 HydrophobicContact CG-CG1 4.44Å; A216-V230 HydrophobicContact CB-CB 3.78Å; A216-V230 HydrophobicContact CB-CG1 3.91Å; A216-V230 HydrophobicContact CB-CG2 3.85Å; W227-V230 WeakPolarHBondContact O-CB 3.27Å; W227-V230 PolarHBondContact O-N 3.24Å; E228-V230 PolarHBondContact O-N 3.17Å; V230-F234 HydrophobicContact CB-CD2 4.34Å; V230-F234 HydrophobicContact CB-CE2 4.4Å; V230-F234 HydrophobicContact CG1-CD2 4.31Å; V230-F234 HydrophobicContact CG1-CE2 4.49Å; V230-F234 HydrophobicContact CG2-CD2 4.4Å; V230-F234 HydrophobicContact CG2-CE2 3.96Å; V230-L256 HydrophobicContact CG2-CD1 3.59Å; V230-M259 HydrophobicContact CG2-CE 3.49Å; V230-M259 VanDerWaalsContact CG2-CE 3.49Å |
| 231 | F | 90.1 | Very high | 87 | Confident | 65 Ų | 65 | 74 Ų | 74 | 29% | 0.285 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -79.2 | -34.2 | -179.2 | -72.2 | -100.4 | 0 | 0 | 0 | 112.4 | R213 A216 W227 E228 R229 | R213-F231 HydrophobicContact CB-CD1 4.39Å; R213-F231 HydrophobicContact CB-CE1 3.73Å; R213-F231 HydrophobicContact CB-CE2 4.34Å; R213-F231 HydrophobicContact CB-CZ 3.7Å; R213-F231 HydrophobicContact CG-CD1 3.9Å; R213-F231 HydrophobicContact CG-CE1 3.76Å; R213-F231 HydrophobicContact CG-CE2 4.46Å; R213-F231 HydrophobicContact CG-CG 4.34Å; R213-F231 HydrophobicContact CG-CZ 4.05Å; R213-F231 PolarHBondContact NH2-O 2.8Å; A216-F231 HydrophobicContact CB-CE2 4.29Å; W227-F231 HydrophobicContact CE3-CD2 4.12Å; W227-F231 AromaticContact CE3-CE2 3.74Å; W227-F231 HydrophobicContact CE3-CE2 3.74Å; W227-F231 HydrophobicContact CZ3-CD2 4.04Å; W227-F231 AromaticContact CZ3-CE2 3.7Å; W227-F231 HydrophobicContact CZ3-CE2 3.7Å; W227-F231 HydrophobicContact CZ3-CZ 4.35Å; E228-F231 WeakPolarHBondContact O-CB 3.38Å; E228-F231 PolarHBondContact O-N 3.24Å; R229-F231 PolarHBondContact O-N 2.86Å |
| 232 | N | 89.1 | Confident | 87.2 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 59% | 0.594 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -99.5 | -29.7 | -170.1 | -63.8 | -31.1 | 0 | 0 | 0 | 113.7 | E228 R229 | E228-N232 PolarHBondContact O-N 3.22Å; R229-N232 PolarHBondContact O-N 3.33Å |
| 233 | N | 91.2 | Very high | 87.4 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 22% | 0.219 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -119.5 | 10.9 | -163.3 | -61.7 | -4.4 | 0 | 0 | 0 | 112.9 | R229 Y239 L240 D241 | R229-N233 WeakPolarHBondContact O-CA 3.26Å; R229-N233 VanDerWaalsContact O-CB 3.25Å; R229-N233 WeakPolarHBondContact O-CB 3.08Å; R229-N233 PolarHBondContact O-N 3.39Å; N233-Y239 HydrophobicContact CB-CD2 4.22Å; N233-Y239 HydrophobicContact CB-CE2 3.86Å; N233-Y239 WeakPolarHBondContact O-CD2 3.22Å; N233-L240 VanDerWaalsContact CB-O 3.28Å; N233-L240 WeakPolarHBondContact CB-O 3.25Å; N233-L240 PolarHBondContact O-N 3.07Å; N233-D241 HydrophobicContact CB-CB 4.37Å; N233-D241 PolarHBondContact ND2-OD1 3.27Å; N233-D241 PolarHBondContact ND2-OD2 3.05Å |
| 234 | F | 88.5 | Confident | 87.4 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 21% | 0.206 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.4 | 169.2 | -86.5 | -101.5 | 0 | 0 | 0 | 110.8 | L212 V230 N238 Y239 L256 L260 | L212-F234 HydrophobicContact CD2-CB 4.28Å; L212-F234 HydrophobicContact CD2-CD1 3.5Å; L212-F234 HydrophobicContact CD2-CD2 4.35Å; L212-F234 HydrophobicContact CD2-CE1 3.8Å; L212-F234 HydrophobicContact CD2-CG 3.79Å; L212-F234 HydrophobicContact CD2-CZ 4.32Å; V230-F234 HydrophobicContact CB-CD2 4.34Å; V230-F234 HydrophobicContact CB-CE2 4.4Å; V230-F234 HydrophobicContact CG1-CD2 4.31Å; V230-F234 HydrophobicContact CG1-CE2 4.49Å; V230-F234 HydrophobicContact CG2-CD2 4.4Å; V230-F234 HydrophobicContact CG2-CE2 3.96Å; F234-N238 WeakPolarHBondContact CA-O 3.39Å; F234-Y239 AromaticContact CD2-CD2 3.6Å; F234-Y239 HydrophobicContact CD2-CD2 3.6Å; F234-Y239 HydrophobicContact CD2-CE2 4.37Å; F234-Y239 HydrophobicContact CD2-CG 4.46Å; F234-Y239 AromaticContact CE2-CD2 3.31Å; F234-Y239 HydrophobicContact CE2-CD2 3.31Å; F234-Y239 HydrophobicContact CE2-CE2 4.02Å; F234-Y239 AromaticContact CE2-CG 3.98Å; F234-Y239 HydrophobicContact CE2-CG 3.98Å; F234-Y239 HydrophobicContact CG-CD2 4.41Å; F234-Y239 AromaticContact CZ-CD2 3.9Å; F234-Y239 HydrophobicContact CZ-CD2 3.9Å; F234-Y239 HydrophobicContact CZ-CG 4.09Å; F234-L256 HydrophobicContact CE2-CD1 4.19Å; F234-L256 HydrophobicContact CE2-CD2 4.06Å; F234-L256 HydrophobicContact CZ-CD2 4.09Å; F234-L260 HydrophobicContact CZ-CD1 4.32Å |
| 235 | Y | 79.6 | Confident | 87.5 | Confident | 161 Ų | 161 | 77.7 Ų | 77.7 | 63% | 0.631 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 107.2 | 163.1 | 179.7 | -100.5 | 0 | 0 | 0 | 108.4 | D237 N238 | Y235-D237 PolarHBondContact O-N 2.78Å; Y235-N238 PolarHBondContact N-O 3.5Å; Y235-N238 PolarHBondContact O-N 3.39Å |
| 236 | V | 78.3 | Confident | 87.6 | Confident | 48 Ų | 48 | 80.9 Ų | 80.9 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -104.8 | -179.9 | 179.1 | 0 | 0 | 0 | 0 | 111 | L205 | L205-V236 HydrophobicContact CD1-CG1 3.28Å; L205-V236 HydrophobicContact CD2-CB 4.33Å; L205-V236 HydrophobicContact CD2-CG1 3.56Å; L205-V236 HydrophobicContact CD2-CG2 3.78Å; L205-V236 HydrophobicContact CG-CB 4.44Å; L205-V236 HydrophobicContact CG-CG1 3.48Å; L205-V236 VanDerWaalsContact CG-CG1 3.48Å; L205-V236 HydrophobicContact CG-CG2 4.3Å |
| 237 | D | 75.3 | Confident | 87.3 | Confident | 127 Ų | 127 | 87.9 Ų | 87.9 | 68% | 0.679 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 1.8 | -179.3 | 64.9 | -25.5 | 0 | 0 | 0 | 111.9 | Y235 | Y235-D237 PolarHBondContact O-N 2.78Š|
| 238 | N | 83.2 | Confident | 87.1 | Confident | 83 Ų | 83 | 88.1 Ų | 88.1 | 44% | 0.444 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.1 | -179.1 | -58.3 | 160.9 | 0 | 0 | 0 | 110.5 | F234 Y235 | F234-N238 WeakPolarHBondContact CA-O 3.39Å; Y235-N238 PolarHBondContact N-O 3.5Å; Y235-N238 PolarHBondContact O-N 3.39Å |
| 239 | Y | 87.3 | Confident | 86.9 | Confident | 61 Ų | 61 | 85 Ų | 85 | 24% | 0.239 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 120.8 | 168.6 | 176.3 | -118.3 | 0 | 0 | 0 | 109 | N233 F234 D241 L256 | N233-Y239 HydrophobicContact CB-CD2 4.22Å; N233-Y239 HydrophobicContact CB-CE2 3.86Å; N233-Y239 WeakPolarHBondContact O-CD2 3.22Å; F234-Y239 AromaticContact CD2-CD2 3.6Å; F234-Y239 HydrophobicContact CD2-CD2 3.6Å; F234-Y239 HydrophobicContact CD2-CE2 4.37Å; F234-Y239 HydrophobicContact CD2-CG 4.46Å; F234-Y239 AromaticContact CE2-CD2 3.31Å; F234-Y239 HydrophobicContact CE2-CD2 3.31Å; F234-Y239 HydrophobicContact CE2-CE2 4.02Å; F234-Y239 AromaticContact CE2-CG 3.98Å; F234-Y239 HydrophobicContact CE2-CG 3.98Å; F234-Y239 HydrophobicContact CG-CD2 4.41Å; F234-Y239 AromaticContact CZ-CD2 3.9Å; F234-Y239 HydrophobicContact CZ-CD2 3.9Å; F234-Y239 HydrophobicContact CZ-CG 4.09Å; Y239-D241 HydrophobicContact CE1-CB 3.87Å; Y239-D241 HydrophobicContact CE2-CB 3.9Å; Y239-D241 VanDerWaalsContact CZ-CB 3.47Å; Y239-D241 VanDerWaalsContact CZ-OD2 3.26Å; Y239-D241 WeakPolarHBondContact OH-CB 3.36Å; Y239-D241 PolarHBondContact OH-OD2 3.38Å; Y239-L256 HydrophobicContact CD1-CD2 3.81Å; Y239-L256 HydrophobicContact CD2-CD2 3.92Å; Y239-L256 HydrophobicContact CE1-CD2 3.66Å; Y239-L256 HydrophobicContact CE2-CD2 3.79Å; Y239-L256 HydrophobicContact CG-CD2 3.91Å |
| 240 | L | 88.4 | Confident | 86.7 | Confident | 118 Ų | 118 | 89 Ų | 89 | 62% | 0.618 | 45% | 0.448 | S | S | * | . | trans | -125 | 109.3 | -178.9 | -65.1 | 173.7 | 0 | 0 | 0 | 108.8 | N233 | N233-L240 VanDerWaalsContact CB-O 3.28Å; N233-L240 WeakPolarHBondContact CB-O 3.25Å; N233-L240 PolarHBondContact O-N 3.07Å | ||
| 241 | D | 89.7 | Confident | 86.4 | Confident | 49 Ų | 49 | 92.3 Ų | 92.3 | 26% | 0.262 | 47% | 0.469 | S | S | . | . | trans | -141.8 | 159.4 | -175.3 | -150.6 | -22.8 | 0 | 0 | 0 | 111.2 | R229 N233 Y239 F243 | R229-D241 WeakPolarHBondContact CD-OD2 3.48Å; R229-D241 IonicContact CZ-OD2 2.82Å; R229-D241 IonicContact NE-OD2 3.8Å; R229-D241 IonicContact NH1-OD1 3.62Å; R229-D241 PolarHBondContact NH1-OD1 2.73Å; R229-D241 IonicContact NH1-OD2 3.4Å; R229-D241 PolarHBondContact NH1-OD2 3.47Å; N233-D241 HydrophobicContact CB-CB 4.37Å; N233-D241 PolarHBondContact ND2-OD1 3.27Å; N233-D241 PolarHBondContact ND2-OD2 3.05Å; Y239-D241 HydrophobicContact CE1-CB 3.87Å; Y239-D241 HydrophobicContact CE2-CB 3.9Å; Y239-D241 VanDerWaalsContact CZ-CB 3.47Å; Y239-D241 VanDerWaalsContact CZ-OD2 3.26Å; Y239-D241 WeakPolarHBondContact OH-CB 3.36Å; Y239-D241 PolarHBondContact OH-OD2 3.38Å; D241-F243 HydrophobicContact CB-CE2 3.83Å; D241-F243 HydrophobicContact CB-CZ 4.11Å | ||
| 242 | S | 89.5 | Confident | 86.4 | Confident | 100 Ų | 100 | 89.9 Ų | 89.9 | 70% | 0.699 | 46% | 0.459 | S | S | * | . | trans | -130.1 | 142.9 | 178.6 | 60.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 243 | F | 87.9 | Confident | 86.4 | Confident | 40 Ų | 40 | 86.5 Ų | 86.5 | 18% | 0.175 | 44% | 0.444 | C | S | . | . | trans | -138.8 | 154.8 | -176.5 | -59 | -85 | 0 | 0 | 0 | 109.8 | R229 D241 E248 T249 S252 | R229-F243 VanDerWaalsContact CZ-CE1 3.42Å; D241-F243 HydrophobicContact CB-CE2 3.83Å; D241-F243 HydrophobicContact CB-CZ 4.11Å; F243-E248 HydrophobicContact CD1-CB 4.39Å; F243-E248 HydrophobicContact CD1-CG 3.77Å; F243-E248 HydrophobicContact CE1-CG 4.46Å; F243-T249 VanDerWaalsContact CB-OG1 3.23Å; F243-T249 WeakPolarHBondContact CB-OG1 3.42Å; F243-T249 HydrophobicContact CD2-CG2 3.75Å; F243-T249 VanDerWaalsContact CD2-OG1 3.3Å; F243-T249 WeakPolarHBondContact CD2-OG1 3.14Å; F243-T249 HydrophobicContact CE2-CG2 4.04Å; F243-T249 WeakPolarHBondContact CG-OG1 3.15Å; F243-S252 VanDerWaalsContact CE1-CB 3.4Å; F243-S252 WeakPolarHBondContact CE1-OG 3.45Å; F243-S252 VanDerWaalsContact CZ-CB 3.49Å | ||
| 244 | M | 87.6 | Confident | 86.2 | Confident | 190 Ų | 190 | 90 Ų | 90 | 94% | 0.936 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -86.5 | -11.8 | 179.9 | -64.3 | -63.9 | 166.3 | 0 | 0 | 112.9 | ||
| 245 | S | 87.7 | Confident | 86.2 | Confident | 55 Ų | 55 | 89.7 Ų | 89.7 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -144.6 | 153.6 | 177.7 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | Q247 E248 T249 | S245-Q247 VanDerWaalsContact C-N 3.32Å; S245-Q247 PolarHBondContact O-N 2.8Å; S245-E248 PolarHBondContact O-N 2.88Å; S245-E248 WeakPolarHBondContact OG-CB 3.39Å; S245-E248 PolarHBondContact OG-N 3.34Å; S245-E248 VanDerWaalsContact OG-N 3.13Å; S245-T249 PolarHBondContact O-N 3.49Å; S245-T249 VanDerWaalsContact O-N 3.15Å; S245-T249 PolarHBondContact O-OG1 3.04Å |
| 246 | E | 89.4 | Confident | 86.7 | Confident | 164 Ų | 164 | 82.5 Ų | 82.5 | 77% | 0.766 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.2 | -40.8 | 173.8 | -65.2 | -178.2 | 168.2 | 0 | 0 | 111.2 | E248 T249 E250 | E246-E248 PolarHBondContact O-N 3.31Å; E246-T249 WeakPolarHBondContact O-CA 3.32Å; E246-T249 VanDerWaalsContact O-CB 3.27Å; E246-T249 WeakPolarHBondContact O-CB 3.41Å; E246-T249 PolarHBondContact O-N 3.35Å; E246-T249 VanDerWaalsContact O-N 3.14Å; E246-E250 WeakPolarHBondContact O-CG 3.26Å; E246-E250 PolarHBondContact O-N 3.39Å |
| 247 | Q | 84.3 | Confident | 87.2 | Confident | 147 Ų | 147 | 87.5 Ų | 87.5 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | -179.8 | -172.3 | 177.4 | 4 | 0 | 0 | 112.8 | S245 T249 E250 T251 | S245-Q247 VanDerWaalsContact C-N 3.32Å; S245-Q247 PolarHBondContact O-N 2.8Å; Q247-T249 VanDerWaalsContact C-N 3.32Å; Q247-E250 PolarHBondContact O-N 3.4Å; Q247-T251 WeakPolarHBondContact O-CB 3.46Å; Q247-T251 PolarHBondContact O-N 3.39Å; Q247-T251 PolarHBondContact O-OG1 3.49Å |
| 248 | E | 86.4 | Confident | 87.7 | Confident | 75 Ų | 75 | 83.6 Ų | 83.6 | 35% | 0.35 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 174.4 | -171.5 | -170.1 | 172.6 | 0 | 0 | 111.1 | R229 F243 S245 E246 S252 | R229-E248 IonicContact NH2-OE1 3.97Å; F243-E248 HydrophobicContact CD1-CB 4.39Å; F243-E248 HydrophobicContact CD1-CG 3.77Å; F243-E248 HydrophobicContact CE1-CG 4.46Å; S245-E248 PolarHBondContact O-N 2.88Å; S245-E248 WeakPolarHBondContact OG-CB 3.39Å; S245-E248 PolarHBondContact OG-N 3.34Å; S245-E248 VanDerWaalsContact OG-N 3.13Å; E246-E248 PolarHBondContact O-N 3.31Å; E248-S252 VanDerWaalsContact O-CB 3.26Å; E248-S252 WeakPolarHBondContact O-CB 3.38Å; E248-S252 PolarHBondContact O-N 2.98Å; E248-S252 PolarHBondContact O-OG 2.98Å |
| 249 | T | 87.9 | Confident | 88 | Confident | 47 Ų | 47 | 79.7 Ų | 79.7 | 29% | 0.288 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 175.2 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | F243 S245 E246 Q247 S252 C253 | F243-T249 VanDerWaalsContact CB-OG1 3.23Å; F243-T249 WeakPolarHBondContact CB-OG1 3.42Å; F243-T249 HydrophobicContact CD2-CG2 3.75Å; F243-T249 VanDerWaalsContact CD2-OG1 3.3Å; F243-T249 WeakPolarHBondContact CD2-OG1 3.14Å; F243-T249 HydrophobicContact CE2-CG2 4.04Å; F243-T249 WeakPolarHBondContact CG-OG1 3.15Å; S245-T249 PolarHBondContact O-N 3.49Å; S245-T249 VanDerWaalsContact O-N 3.15Å; S245-T249 PolarHBondContact O-OG1 3.04Å; E246-T249 WeakPolarHBondContact O-CA 3.32Å; E246-T249 VanDerWaalsContact O-CB 3.27Å; E246-T249 WeakPolarHBondContact O-CB 3.41Å; E246-T249 PolarHBondContact O-N 3.35Å; E246-T249 VanDerWaalsContact O-N 3.14Å; Q247-T249 VanDerWaalsContact C-N 3.32Å; T249-S252 PolarHBondContact O-N 2.89Å; T249-C253 VanDerWaalsContact O-CB 3.25Å; T249-C253 WeakPolarHBondContact O-CB 3.43Å; T249-C253 PolarHBondContact O-N 2.93Å; T249-C253 PolarHBondContact O-SG 2.98Å |
| 250 | E | 87.6 | Confident | 88 | Confident | 138 Ų | 138 | 79.3 Ų | 79.3 | 65% | 0.645 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.2 | -46.7 | 180 | -73.5 | -176.6 | 172.3 | 0 | 0 | 112 | E246 Q247 C253 H254 | E246-E250 WeakPolarHBondContact O-CG 3.26Å; E246-E250 PolarHBondContact O-N 3.39Å; Q247-E250 PolarHBondContact O-N 3.4Å; E250-C253 PolarHBondContact O-N 2.72Å; E250-H254 WeakPolarHBondContact O-CB 3.35Å; E250-H254 PolarHBondContact O-N 2.89Å |
| 251 | T | 86.5 | Confident | 87.9 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 179.2 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | Q247 C253 H254 D255 | Q247-T251 WeakPolarHBondContact O-CB 3.46Å; Q247-T251 PolarHBondContact O-N 3.39Å; Q247-T251 PolarHBondContact O-OG1 3.49Å; T251-C253 PolarHBondContact O-N 3.39Å; T251-H254 WeakPolarHBondContact O-CB 3.32Å; T251-H254 PolarHBondContact O-N 3.36Å; T251-D255 WeakPolarHBondContact O-CB 3.43Å; T251-D255 PolarHBondContact O-N 3.17Å |
| 252 | S | 88.7 | Confident | 87.6 | Confident | 13 Ų | 13 | 76.9 Ų | 76.9 | 9% | 0.091 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | -179.8 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | F243 E248 T249 H254 D255 L256 | F243-S252 VanDerWaalsContact CE1-CB 3.4Å; F243-S252 WeakPolarHBondContact CE1-OG 3.45Å; F243-S252 VanDerWaalsContact CZ-CB 3.49Å; E248-S252 VanDerWaalsContact O-CB 3.26Å; E248-S252 WeakPolarHBondContact O-CB 3.38Å; E248-S252 PolarHBondContact O-N 2.98Å; E248-S252 PolarHBondContact O-OG 2.98Å; T249-S252 PolarHBondContact O-N 2.89Å; S252-H254 VanDerWaalsContact C-N 3.34Å; S252-H254 PolarHBondContact O-N 3.05Å; S252-D255 PolarHBondContact O-N 3.12Å; S252-L256 WeakPolarHBondContact O-CB 3.29Å; S252-L256 PolarHBondContact O-N 3.13Å |
| 253 | C | 88.5 | Confident | 87 | Confident | 41 Ų | 41 | 72.5 Ų | 72.5 | 28% | 0.277 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 174.7 | -73.8 | 0 | 0 | 0 | 0 | 112.1 | T249 E250 T251 K257 | T249-C253 VanDerWaalsContact O-CB 3.25Å; T249-C253 WeakPolarHBondContact O-CB 3.43Å; T249-C253 PolarHBondContact O-N 2.93Å; T249-C253 PolarHBondContact O-SG 2.98Å; E250-C253 PolarHBondContact O-N 2.72Å; T251-C253 PolarHBondContact O-N 3.39Å; C253-K257 VanDerWaalsContact O-CG 3.31Å; C253-K257 WeakPolarHBondContact O-CG 3.27Å; C253-K257 PolarHBondContact O-N 2.65Å; C253-K257 VanDerWaalsContact O-N 3.14Å |
| 254 | H | 87.4 | Confident | 86.6 | Confident | 113 Ų | 113 | 75.6 Ų | 75.6 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.2 | -50.4 | 177.2 | -175.8 | 73.2 | 0 | 0 | 0 | 111.1 | E250 T251 S252 L256 K257 L258 | E250-H254 WeakPolarHBondContact O-CB 3.35Å; E250-H254 PolarHBondContact O-N 2.89Å; T251-H254 WeakPolarHBondContact O-CB 3.32Å; T251-H254 PolarHBondContact O-N 3.36Å; S252-H254 VanDerWaalsContact C-N 3.34Å; S252-H254 PolarHBondContact O-N 3.05Å; H254-L256 PolarHBondContact O-N 2.97Å; H254-K257 PolarHBondContact O-N 3.33Å; H254-L258 VanDerWaalsContact NE2-CD1 3.26Å; H254-L258 WeakPolarHBondContact NE2-CD1 3.27Å; H254-L258 WeakPolarHBondContact O-CG 3.46Å; H254-L258 PolarHBondContact O-N 2.89Å |
| 255 | D | 88.6 | Confident | 86.2 | Confident | 41 Ų | 41 | 69.2 Ų | 69.2 | 22% | 0.219 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.8 | -40.3 | -179.8 | -73.2 | -10.2 | 0 | 0 | 0 | 111.8 | F223 V226 T251 S252 L258 M259 | F223-D255 HydrophobicContact CD1-CB 4.38Å; V226-D255 HydrophobicContact CG1-CB 3.84Å; V226-D255 HydrophobicContact CG2-CB 3.98Å; T251-D255 WeakPolarHBondContact O-CB 3.43Å; T251-D255 PolarHBondContact O-N 3.17Å; S252-D255 PolarHBondContact O-N 3.12Å; D255-L258 PolarHBondContact O-N 3.24Å; D255-M259 VanDerWaalsContact O-CB 3.3Å; D255-M259 WeakPolarHBondContact O-CB 3.29Å; D255-M259 PolarHBondContact O-N 2.93Å |
| 256 | L | 90.2 | Very high | 86 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | 175.8 | -176.4 | 72.3 | 0 | 0 | 0 | 111.4 | V230 F234 Y239 S252 H254 L258 M259 L260 | V230-L256 HydrophobicContact CG2-CD1 3.59Å; F234-L256 HydrophobicContact CE2-CD1 4.19Å; F234-L256 HydrophobicContact CE2-CD2 4.06Å; F234-L256 HydrophobicContact CZ-CD2 4.09Å; Y239-L256 HydrophobicContact CD1-CD2 3.81Å; Y239-L256 HydrophobicContact CD2-CD2 3.92Å; Y239-L256 HydrophobicContact CE1-CD2 3.66Å; Y239-L256 HydrophobicContact CE2-CD2 3.79Å; Y239-L256 HydrophobicContact CG-CD2 3.91Å; S252-L256 WeakPolarHBondContact O-CB 3.29Å; S252-L256 PolarHBondContact O-N 3.13Å; H254-L256 PolarHBondContact O-N 2.97Å; L256-L258 PolarHBondContact O-N 2.76Å; L256-M259 HydrophobicContact CD1-CE 3.89Å; L256-M259 PolarHBondContact O-N 3.45Å; L256-L260 HydrophobicContact CD1-CD1 4.47Å; L256-L260 HydrophobicContact CG-CD1 4.32Å; L256-L260 WeakPolarHBondContact O-CG 3.44Å; L256-L260 PolarHBondContact O-N 2.94Å |
| 257 | K | 89 | Confident | 85.7 | Confident | 154 Ų | 154 | 64.1 Ų | 64.1 | 67% | 0.67 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 176.9 | -74.6 | 174.6 | -177.4 | 176.4 | 0 | 111.7 | C253 H254 S261 | C253-K257 VanDerWaalsContact O-CG 3.31Å; C253-K257 WeakPolarHBondContact O-CG 3.27Å; C253-K257 PolarHBondContact O-N 2.65Å; C253-K257 VanDerWaalsContact O-N 3.14Å; H254-K257 PolarHBondContact O-N 3.33Å; K257-S261 WeakPolarHBondContact O-CB 3.44Å; K257-S261 PolarHBondContact O-N 3.39Å; K257-S261 PolarHBondContact O-OG 3.46Å |
| 258 | L | 86.4 | Confident | 85.6 | Confident | 45 Ų | 45 | 59.7 Ų | 59.7 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 176.5 | -76.9 | -177.1 | 0 | 0 | 0 | 111.9 | F223 H254 D255 L256 L260 S261 Y262 | F223-L258 HydrophobicContact CE1-CB 3.84Å; F223-L258 HydrophobicContact CZ-CB 3.93Å; H254-L258 VanDerWaalsContact NE2-CD1 3.26Å; H254-L258 WeakPolarHBondContact NE2-CD1 3.27Å; H254-L258 WeakPolarHBondContact O-CG 3.46Å; H254-L258 PolarHBondContact O-N 2.89Å; D255-L258 PolarHBondContact O-N 3.24Å; L256-L258 PolarHBondContact O-N 2.76Å; L258-L260 PolarHBondContact O-N 3.41Å; L258-S261 CarbonylContact O-C 3.5Å; L258-S261 PolarHBondContact O-N 3.5Å; L258-S261 PolarHBondContact O-OG 3.37Å; L258-Y262 WeakPolarHBondContact O-CA 3.46Å; L258-Y262 VanDerWaalsContact O-CB 3.28Å; L258-Y262 WeakPolarHBondContact O-CB 3.16Å; L258-Y262 PolarHBondContact O-N 3.33Å |
| 259 | M | 88.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 178.1 | -177.3 | -174.7 | 67.8 | 0 | 0 | 111.5 | A216 N219 F223 V226 W227 V230 D255 L256 S261 Y262 | A216-M259 HydrophobicContact CB-CE 3.79Å; A216-M259 HydrophobicContact CB-SD 4.26Å; N219-M259 HydrophobicContact CB-CG 3.71Å; N219-M259 PolarHBondContact ND2-O 3.1Å; F223-M259 HydrophobicContact CB-CB 4.01Å; F223-M259 HydrophobicContact CB-CG 3.84Å; F223-M259 HydrophobicContact CB-SD 3.77Å; F223-M259 HydrophobicContact CD1-CB 3.96Å; F223-M259 HydrophobicContact CD2-CB 3.62Å; F223-M259 HydrophobicContact CD2-CG 3.62Å; F223-M259 HydrophobicContact CE1-CB 4.33Å; F223-M259 HydrophobicContact CE2-CB 4.03Å; F223-M259 HydrophobicContact CE2-CG 4.35Å; F223-M259 HydrophobicContact CG-CB 3.58Å; F223-M259 HydrophobicContact CG-CG 3.8Å; F223-M259 HydrophobicContact CG-SD 4.38Å; F223-M259 HydrophobicContact CZ-CB 4.36Å; V226-M259 HydrophobicContact CG2-CB 4.48Å; V226-M259 HydrophobicContact CG2-CE 4.46Å; V226-M259 HydrophobicContact CG2-SD 4.06Å; W227-M259 VanDerWaalsContact CA-SD 3.56Å; W227-M259 HydrophobicContact CB-CE 4.49Å; W227-M259 HydrophobicContact CB-SD 3.63Å; V230-M259 HydrophobicContact CG2-CE 3.49Å; V230-M259 VanDerWaalsContact CG2-CE 3.49Å; D255-M259 VanDerWaalsContact O-CB 3.3Å; D255-M259 WeakPolarHBondContact O-CB 3.29Å; D255-M259 PolarHBondContact O-N 2.93Å; L256-M259 HydrophobicContact CD1-CE 3.89Å; L256-M259 PolarHBondContact O-N 3.45Å; M259-S261 VanDerWaalsContact C-N 3.34Å; M259-S261 PolarHBondContact O-N 2.89Å; M259-Y262 WeakPolarHBondContact O-CB 3.39Å; M259-Y262 PolarHBondContact O-N 3.17Å |
| 260 | L | 87.3 | Confident | 85.7 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 28% | 0.283 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.3 | -29.8 | -178.6 | -65.6 | 179.8 | 0 | 0 | 0 | 112.8 | L212 T215 F234 L256 L258 | L212-L260 HydrophobicContact CD1-CD1 3.89Å; L212-L260 HydrophobicContact CD1-CD2 3.5Å; L212-L260 VanDerWaalsContact CD1-CD2 3.5Å; L212-L260 HydrophobicContact CD1-CG 4.35Å; T215-L260 HydrophobicContact CG2-CD2 4.4Å; F234-L260 HydrophobicContact CZ-CD1 4.32Å; L256-L260 HydrophobicContact CD1-CD1 4.47Å; L256-L260 HydrophobicContact CG-CD1 4.32Å; L256-L260 WeakPolarHBondContact O-CG 3.44Å; L256-L260 PolarHBondContact O-N 2.94Å; L258-L260 PolarHBondContact O-N 3.41Å |
| 261 | S | 86 | Confident | 85.7 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -94.5 | -2.8 | 175.9 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | K257 L258 M259 A263 E264 V265 | K257-S261 WeakPolarHBondContact O-CB 3.44Å; K257-S261 PolarHBondContact O-N 3.39Å; K257-S261 PolarHBondContact O-OG 3.46Å; L258-S261 CarbonylContact O-C 3.5Å; L258-S261 PolarHBondContact O-N 3.5Å; L258-S261 PolarHBondContact O-OG 3.37Å; M259-S261 VanDerWaalsContact C-N 3.34Å; M259-S261 PolarHBondContact O-N 2.89Å; S261-A263 PolarHBondContact O-N 3.44Å; S261-A263 VanDerWaalsContact O-N 3.1Å; S261-E264 PolarHBondContact O-N 3.49Å; S261-V265 WeakPolarHBondContact O-CG2 3.46Å; S261-V265 PolarHBondContact O-N 3.49Å |
| 262 | Y | 84.1 | Confident | 85.9 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.4 | -42.1 | -168.4 | -179.5 | -105.6 | 0 | 0 | 0 | 112.4 | Q222 F223 L258 M259 N266 | Q222-Y262 HydrophobicContact CG-CE1 4.36Å; F223-Y262 AromaticContact CE2-CD2 3.8Å; F223-Y262 HydrophobicContact CE2-CD2 3.8Å; F223-Y262 HydrophobicContact CE2-CE2 4.47Å; F223-Y262 HydrophobicContact CE2-CG 4.01Å; F223-Y262 HydrophobicContact CZ-CD2 4.1Å; L258-Y262 WeakPolarHBondContact O-CA 3.46Å; L258-Y262 VanDerWaalsContact O-CB 3.28Å; L258-Y262 WeakPolarHBondContact O-CB 3.16Å; L258-Y262 PolarHBondContact O-N 3.33Å; M259-Y262 WeakPolarHBondContact O-CB 3.39Å; M259-Y262 PolarHBondContact O-N 3.17Å; Y262-N266 WeakPolarHBondContact O-CB 3.36Å; Y262-N266 PolarHBondContact O-N 2.86Å |
| 263 | A | 77.5 | Confident | 86.1 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -50.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | G162 S261 N266 E267 | G162-A263 VanDerWaalsContact O-CB 3.27Å; G162-A263 WeakPolarHBondContact O-CB 3.49Å; S261-A263 PolarHBondContact O-N 3.44Å; S261-A263 VanDerWaalsContact O-N 3.1Å; A263-N266 PolarHBondContact O-N 3.1Å; A263-E267 WeakPolarHBondContact O-CG 3.27Å; A263-E267 PolarHBondContact O-N 2.86Å |
| 264 | E | 78.5 | Confident | 86.3 | Confident | 105 Ų | 105 | 52.3 Ų | 52.3 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | -178.9 | -61.7 | 179.5 | 158.5 | 0 | 0 | 110.6 | S261 N266 E267 A268 | S261-E264 PolarHBondContact O-N 3.49Å; E264-N266 VanDerWaalsContact C-N 3.3Å; E264-N266 PolarHBondContact O-N 2.82Å; E264-E267 PolarHBondContact O-N 3.26Å; E264-A268 VanDerWaalsContact O-CB 3.27Å; E264-A268 WeakPolarHBondContact O-CB 3.33Å; E264-A268 PolarHBondContact O-N 3.46Å |
| 265 | V | 80.1 | Confident | 86.6 | Confident | 56 Ų | 56 | 51.3 Ų | 51.3 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | S261 F269 | S261-V265 WeakPolarHBondContact O-CG2 3.46Å; S261-V265 PolarHBondContact O-N 3.49Å; V265-F269 WeakPolarHBondContact O-CB 3.36Å; V265-F269 PolarHBondContact O-N 3.21Å |
| 266 | N | 82.8 | Confident | 86.8 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.3 | -42.1 | 178.5 | -172.8 | 58.7 | 0 | 0 | 0 | 112.1 | Y262 A263 E264 F269 I270 | Y262-N266 WeakPolarHBondContact O-CB 3.36Å; Y262-N266 PolarHBondContact O-N 2.86Å; A263-N266 PolarHBondContact O-N 3.1Å; E264-N266 VanDerWaalsContact C-N 3.3Å; E264-N266 PolarHBondContact O-N 2.82Å; N266-F269 PolarHBondContact O-N 3.06Å; N266-I270 WeakPolarHBondContact O-CG1 3.45Å; N266-I270 PolarHBondContact O-N 2.86Å |
| 267 | E | 82.2 | Confident | 87.1 | Confident | 59 Ų | 59 | 49 Ų | 49 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 174.3 | -70 | -54.4 | 149.2 | 0 | 0 | 112.2 | A263 E264 F269 I270 T271 K310 | A263-E267 WeakPolarHBondContact O-CG 3.27Å; A263-E267 PolarHBondContact O-N 2.86Å; E264-E267 PolarHBondContact O-N 3.26Å; E267-F269 VanDerWaalsContact C-N 3.32Å; E267-F269 PolarHBondContact O-N 3.15Å; E267-I270 PolarHBondContact O-N 3.35Å; E267-T271 WeakPolarHBondContact O-CB 3.42Å; E267-T271 PolarHBondContact O-N 3.17Å; E267-T271 PolarHBondContact O-OG1 3.4Å; E267-K310 IonicContact OE1-NZ 3.15Å; E267-K310 PolarHBondContact OE1-NZ 3.43Å; E267-K310 IonicContact OE2-NZ 2.77Å; E267-K310 PolarHBondContact OE2-NZ 3.29Å |
| 268 | A | 83.3 | Confident | 87.3 | Confident | 54 Ų | 54 | 48 Ų | 48 | 45% | 0.446 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | E264 T271 C272 | E264-A268 VanDerWaalsContact O-CB 3.27Å; E264-A268 WeakPolarHBondContact O-CB 3.33Å; E264-A268 PolarHBondContact O-N 3.46Å; A268-T271 WeakPolarHBondContact O-CB 3.47Å; A268-T271 PolarHBondContact O-N 3.44Å; A268-C272 PolarHBondContact O-N 2.89Å; A268-C272 PolarHBondContact O-SG 2.85Å |
| 269 | F | 87.5 | Confident | 87.6 | Confident | 62 Ų | 62 | 52.8 Ų | 52.8 | 27% | 0.272 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 175.4 | 177.8 | -110.5 | 0 | 0 | 0 | 111.8 | V265 N266 E267 T271 C272 V273 F332 L340 T344 | V265-F269 WeakPolarHBondContact O-CB 3.36Å; V265-F269 PolarHBondContact O-N 3.21Å; N266-F269 PolarHBondContact O-N 3.06Å; E267-F269 VanDerWaalsContact C-N 3.32Å; E267-F269 PolarHBondContact O-N 3.15Å; F269-T271 VanDerWaalsContact C-N 3.27Å; F269-T271 PolarHBondContact O-N 3.36Å; F269-C272 WeakPolarHBondContact O-CB 3.26Å; F269-C272 PolarHBondContact O-N 3.2Å; F269-V273 HydrophobicContact CD1-CG2 4.31Å; F269-V273 HydrophobicContact CD2-CG2 4.39Å; F269-V273 HydrophobicContact CE1-CG2 3.85Å; F269-V273 HydrophobicContact CE2-CG2 3.92Å; F269-V273 HydrophobicContact CZ-CG2 3.64Å; F269-V273 WeakPolarHBondContact O-CG2 3.39Å; F269-V273 PolarHBondContact O-N 2.95Å; F269-F332 HydrophobicContact CD1-CE2 4.49Å; F269-F332 HydrophobicContact CE1-CD2 4.15Å; F269-F332 AromaticContact CE1-CE2 3.9Å; F269-F332 HydrophobicContact CE1-CE2 3.9Å; F269-L340 HydrophobicContact CE2-CD1 4.43Å; F269-T344 HydrophobicContact CE2-CG2 3.39Å; F269-T344 HydrophobicContact CZ-CG2 3.79Å |
| 270 | I | 87.9 | Confident | 87.8 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.046 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.2 | -40 | 177.1 | -68.3 | 166.3 | 0 | 0 | 0 | 111 | N266 E267 V273 N274 K310 F332 | N266-I270 WeakPolarHBondContact O-CG1 3.45Å; N266-I270 PolarHBondContact O-N 2.86Å; E267-I270 PolarHBondContact O-N 3.35Å; I270-V273 WeakPolarHBondContact O-CB 3.28Å; I270-V273 PolarHBondContact O-N 3.43Å; I270-N274 WeakPolarHBondContact O-CB 3.44Å; I270-N274 VanDerWaalsContact O-CG 3.3Å; I270-N274 PolarHBondContact O-N 3.49Å; I270-K310 HydrophobicContact CD1-CD 4.11Å; I270-K310 HydrophobicContact CG2-CD 3.97Å; I270-F332 HydrophobicContact CG1-CZ 3.97Å |
| 271 | T | 88.1 | Confident | 88 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | E267 A268 F269 V273 N274 L275 | E267-T271 WeakPolarHBondContact O-CB 3.42Å; E267-T271 PolarHBondContact O-N 3.17Å; E267-T271 PolarHBondContact O-OG1 3.4Å; A268-T271 WeakPolarHBondContact O-CB 3.47Å; A268-T271 PolarHBondContact O-N 3.44Å; F269-T271 VanDerWaalsContact C-N 3.27Å; F269-T271 PolarHBondContact O-N 3.36Å; T271-V273 VanDerWaalsContact C-N 3.32Å; T271-V273 PolarHBondContact O-N 2.86Å; T271-N274 PolarHBondContact O-N 3.34Å; T271-L275 HydrophobicContact CG2-CD1 4.4Å; T271-L275 WeakPolarHBondContact O-CG 3.39Å; T271-L275 PolarHBondContact O-N 3.24Å |
| 272 | C | 90.5 | Very high | 88.4 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 175 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | A268 F269 L275 A276 L340 | A268-C272 PolarHBondContact O-N 2.89Å; A268-C272 PolarHBondContact O-SG 2.85Å; F269-C272 WeakPolarHBondContact O-CB 3.26Å; F269-C272 PolarHBondContact O-N 3.2Å; C272-L275 PolarHBondContact O-N 3.47Å; C272-A276 WeakPolarHBondContact O-CB 3.26Å; C272-A276 PolarHBondContact O-N 2.88Å; C272-L340 HydrophobicContact CB-CD1 4.24Å; C272-L340 HydrophobicContact CB-CD2 4.1Å; C272-L340 WeakPolarHBondContact O-CD2 3.41Å |
| 273 | V | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 175.2 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | F269 I270 T271 L275 A276 Q277 F332 L334 L340 | F269-V273 HydrophobicContact CD1-CG2 4.31Å; F269-V273 HydrophobicContact CD2-CG2 4.39Å; F269-V273 HydrophobicContact CE1-CG2 3.85Å; F269-V273 HydrophobicContact CE2-CG2 3.92Å; F269-V273 HydrophobicContact CZ-CG2 3.64Å; F269-V273 WeakPolarHBondContact O-CG2 3.39Å; F269-V273 PolarHBondContact O-N 2.95Å; I270-V273 WeakPolarHBondContact O-CB 3.28Å; I270-V273 PolarHBondContact O-N 3.43Å; T271-V273 VanDerWaalsContact C-N 3.32Å; T271-V273 PolarHBondContact O-N 2.86Å; V273-L275 VanDerWaalsContact C-N 3.29Å; V273-L275 PolarHBondContact O-N 2.9Å; V273-A276 PolarHBondContact O-N 3.28Å; V273-Q277 HydrophobicContact CG1-CG 4.17Å; V273-Q277 WeakPolarHBondContact O-CB 3.42Å; V273-Q277 WeakPolarHBondContact O-CG 3.34Å; V273-Q277 PolarHBondContact O-N 2.98Å; V273-F332 HydrophobicContact CG1-CB 4.1Å; V273-F332 HydrophobicContact CG1-CD1 3.72Å; V273-F332 HydrophobicContact CG1-CD2 4.46Å; V273-F332 HydrophobicContact CG1-CE1 4.21Å; V273-F332 HydrophobicContact CG1-CG 3.86Å; V273-F332 HydrophobicContact CG2-CD2 4.49Å; V273-L334 HydrophobicContact CB-CD2 4.45Å; V273-L334 HydrophobicContact CG1-CD2 3.83Å; V273-L334 HydrophobicContact CG2-CD2 4.11Å; V273-L340 HydrophobicContact CB-CD2 4.43Å; V273-L340 HydrophobicContact CG2-CD2 3.91Å |
| 274 | N | 93.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 179.2 | -73.8 | -9.5 | 0 | 0 | 0 | 112.1 | I270 T271 Q277 R278 K310 S312 | I270-N274 WeakPolarHBondContact O-CB 3.44Å; I270-N274 VanDerWaalsContact O-CG 3.3Å; I270-N274 PolarHBondContact O-N 3.49Å; T271-N274 PolarHBondContact O-N 3.34Å; N274-Q277 PolarHBondContact O-N 3.29Å; N274-R278 WeakPolarHBondContact O-CB 3.2Å; N274-R278 VanDerWaalsContact O-CG 3.31Å; N274-R278 WeakPolarHBondContact O-CG 3.41Å; N274-R278 PolarHBondContact O-N 3.29Å; N274-K310 PolarHBondContact ND2-O 3.03Å; N274-S312 WeakPolarHBondContact OD1-CA 3.44Å; N274-S312 WeakPolarHBondContact OD1-CB 3.48Å; N274-S312 PolarHBondContact OD1-OG 3.03Å |
| 275 | L | 93.5 | Very high | 90.2 | Very high | 92 Ų | 92 | 57.4 Ų | 57.4 | 48% | 0.482 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -51.5 | 175 | -69.9 | 170.6 | 0 | 0 | 0 | 111.3 | T271 C272 V273 Q277 R278 E279 | T271-L275 HydrophobicContact CG2-CD1 4.4Å; T271-L275 WeakPolarHBondContact O-CG 3.39Å; T271-L275 PolarHBondContact O-N 3.24Å; C272-L275 PolarHBondContact O-N 3.47Å; V273-L275 VanDerWaalsContact C-N 3.29Å; V273-L275 PolarHBondContact O-N 2.9Å; L275-Q277 PolarHBondContact O-N 3.47Å; L275-R278 PolarHBondContact O-N 2.95Å; L275-E279 WeakPolarHBondContact O-CG 3.45Å; L275-E279 PolarHBondContact O-N 3.06Å |
| 276 | A | 93.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -37.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C272 V273 S280 H338 L340 | C272-A276 WeakPolarHBondContact O-CB 3.26Å; C272-A276 PolarHBondContact O-N 2.88Å; V273-A276 PolarHBondContact O-N 3.28Å; A276-S280 PolarHBondContact O-N 3.09Å; A276-S280 PolarHBondContact O-OG 3.16Å; A276-H338 WeakPolarHBondContact CB-CE1 3.45Å; A276-L340 HydrophobicContact CB-CD2 3.91Å |
| 277 | Q | 95 | Very high | 91.3 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.4 | -43.3 | 177.8 | -74.7 | 175.9 | -17.3 | 0 | 0 | 111.8 | V273 N274 L275 S280 Y281 I285 L313 I333 | V273-Q277 HydrophobicContact CG1-CG 4.17Å; V273-Q277 WeakPolarHBondContact O-CB 3.42Å; V273-Q277 WeakPolarHBondContact O-CG 3.34Å; V273-Q277 PolarHBondContact O-N 2.98Å; N274-Q277 PolarHBondContact O-N 3.29Å; L275-Q277 PolarHBondContact O-N 3.47Å; Q277-S280 PolarHBondContact O-N 3.4Å; Q277-Y281 WeakPolarHBondContact O-CA 3.32Å; Q277-Y281 WeakPolarHBondContact O-CB 3.22Å; Q277-Y281 PolarHBondContact O-N 3.27Å; Q277-I285 HydrophobicContact CB-CD1 4.02Å; Q277-I285 WeakPolarHBondContact O-CD1 3.32Å; Q277-L313 HydrophobicContact CG-CB 4.31Å; Q277-L313 PolarHBondContact NE2-O 3.2Å; Q277-I333 WeakPolarHBondContact CG-O 3.3Å; Q277-I333 PolarHBondContact NE2-O 2.82Å |
| 278 | R | 93.4 | Very high | 91.8 | Very high | 134 Ų | 134 | 55 Ų | 55 | 51% | 0.506 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 174.3 | -75.5 | 177.7 | -174.2 | 177.2 | 1.2 | 111.7 | N274 L275 S280 E282 I285 | N274-R278 WeakPolarHBondContact O-CB 3.2Å; N274-R278 VanDerWaalsContact O-CG 3.31Å; N274-R278 WeakPolarHBondContact O-CG 3.41Å; N274-R278 PolarHBondContact O-N 3.29Å; L275-R278 PolarHBondContact O-N 2.95Å; R278-S280 PolarHBondContact O-N 3.19Å; R278-E282 WeakPolarHBondContact CA-OE2 3.35Å; R278-E282 WeakPolarHBondContact CB-OE2 3.24Å; R278-E282 VanDerWaalsContact O-CB 3.3Å; R278-E282 WeakPolarHBondContact O-CB 3.37Å; R278-E282 PolarHBondContact O-N 3.07Å; R278-I285 HydrophobicContact CG-CD1 4.02Å |
| 279 | E | 93.4 | Very high | 92.2 | Very high | 145 Ų | 145 | 56 Ų | 56 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59.6 | -32.6 | 178.5 | -71.6 | 175.5 | -167.4 | 0 | 0 | 113.8 | L275 H338 | L275-E279 WeakPolarHBondContact O-CG 3.45Å; L275-E279 PolarHBondContact O-N 3.06Å; E279-H338 IonicContact OE2-CD2 3.72Å; E279-H338 IonicContact OE2-NE2 2.84Å; E279-H338 PolarHBondContact OE2-NE2 3.34Å |
| 280 | S | 92.1 | Very high | 92.4 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -105.1 | -23.3 | -174.1 | -62.7 | 0 | 0 | 0 | 0 | 115.2 | A276 Q277 R278 P335 | A276-S280 PolarHBondContact O-N 3.09Å; A276-S280 PolarHBondContact O-OG 3.16Å; Q277-S280 PolarHBondContact O-N 3.4Å; R278-S280 PolarHBondContact O-N 3.19Å; S280-P335 VanDerWaalsContact OG-CB 3.26Å; S280-P335 WeakPolarHBondContact OG-CB 3.36Å; S280-P335 VanDerWaalsContact OG-CG 3.3Å; S280-P335 WeakPolarHBondContact OG-CG 3.29Å |
| 281 | Y | 93.4 | Very high | 92.4 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 13% | 0.129 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -135.9 | 28.8 | -169.6 | -53.9 | -59.3 | 0 | 0 | 0 | 112.4 | Q277 E283 E284 I285 I300 L313 I333 P335 | Q277-Y281 WeakPolarHBondContact O-CA 3.32Å; Q277-Y281 WeakPolarHBondContact O-CB 3.22Å; Q277-Y281 PolarHBondContact O-N 3.27Å; Y281-E283 VanDerWaalsContact C-N 3.26Å; Y281-E283 PolarHBondContact O-N 3.25Å; Y281-E284 WeakPolarHBondContact CA-OE2 3.36Å; Y281-E284 PolarHBondContact O-N 2.89Å; Y281-E284 VanDerWaalsContact O-N 3.15Å; Y281-I285 WeakPolarHBondContact O-CB 3.23Å; Y281-I285 VanDerWaalsContact O-CG1 3.27Å; Y281-I285 WeakPolarHBondContact O-CG1 3.48Å; Y281-I285 PolarHBondContact O-N 2.81Å; Y281-I300 HydrophobicContact CD1-CD1 4.32Å; Y281-I300 HydrophobicContact CD1-CG2 4.33Å; Y281-I300 HydrophobicContact CE1-CG2 3.68Å; Y281-I300 HydrophobicContact CG-CD1 4.49Å; Y281-L313 HydrophobicContact CD2-CD2 3.89Å; Y281-L313 HydrophobicContact CG-CD2 4.14Å; Y281-I333 HydrophobicContact CE2-CG2 4.09Å; Y281-P335 HydrophobicContact CE2-CB 3.99Å; Y281-P335 HydrophobicContact CE2-CG 4.24Å; Y281-P335 WeakPolarHBondContact OH-CA 3.46Å |
| 282 | E | 92.9 | Very high | 92.4 | Very high | 96 Ų | 96 | 68.5 Ų | 68.5 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -53.9 | -41.2 | -177.8 | -169.7 | 58.6 | -155.4 | 0 | 0 | 112.8 | R278 I285 S286 | R278-E282 WeakPolarHBondContact CA-OE2 3.35Å; R278-E282 WeakPolarHBondContact CB-OE2 3.24Å; R278-E282 VanDerWaalsContact O-CB 3.3Å; R278-E282 WeakPolarHBondContact O-CB 3.37Å; R278-E282 PolarHBondContact O-N 3.07Å; E282-I285 PolarHBondContact O-N 2.81Å; E282-S286 VanDerWaalsContact O-CB 3.27Å; E282-S286 WeakPolarHBondContact O-CB 3.17Å; E282-S286 PolarHBondContact O-N 3.22Å; E282-S286 PolarHBondContact O-OG 2.89Å |
| 283 | E | 91.9 | Very high | 92.2 | Very high | 146 Ų | 146 | 73.7 Ų | 73.7 | 68% | 0.682 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.2 | -47.5 | 178.4 | -66.8 | -177.8 | -171.3 | 0 | 0 | 111.2 | Y281 S286 C287 | Y281-E283 VanDerWaalsContact C-N 3.26Å; Y281-E283 PolarHBondContact O-N 3.25Å; E283-S286 PolarHBondContact O-N 3.47Å; E283-C287 VanDerWaalsContact O-CB 3.28Å; E283-C287 WeakPolarHBondContact O-CB 3.25Å; E283-C287 PolarHBondContact O-N 3.2Å |
| 284 | E | 93.9 | Very high | 92 | Very high | 32 Ų | 32 | 74.8 Ų | 74.8 | 15% | 0.15 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 177.1 | -69.6 | 95.6 | 159.9 | 0 | 0 | 112.4 | Y281 C287 L288 L294 S298 I300 | Y281-E284 WeakPolarHBondContact CA-OE2 3.36Å; Y281-E284 PolarHBondContact O-N 2.89Å; Y281-E284 VanDerWaalsContact O-N 3.15Å; E284-C287 WeakPolarHBondContact O-CB 3.3Å; E284-C287 PolarHBondContact O-N 3.45Å; E284-L288 WeakPolarHBondContact O-CB 3.42Å; E284-L288 VanDerWaalsContact O-CG 3.3Å; E284-L288 WeakPolarHBondContact O-CG 3.17Å; E284-L288 PolarHBondContact O-N 3.17Å; E284-L294 HydrophobicContact CB-CD1 4.44Å; E284-L294 HydrophobicContact CB-CD2 3.73Å; E284-L294 HydrophobicContact CG-CD1 4.21Å; E284-L294 HydrophobicContact CG-CD2 3.75Å; E284-S298 PolarHBondContact OE1-OG 3.48Å; E284-I300 HydrophobicContact CB-CD1 4.09Å; E284-I300 HydrophobicContact CG-CD1 4.01Å; E284-I300 HydrophobicContact CG-CG1 4.27Å |
| 285 | I | 93.7 | Very high | 91.7 | Very high | 17 Ų | 17 | 81.7 Ų | 81.7 | 9% | 0.087 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 177.7 | -68.6 | 164.2 | 0 | 0 | 0 | 110.6 | Q277 R278 Y281 E282 C287 L288 S289 L307 | Q277-I285 HydrophobicContact CB-CD1 4.02Å; Q277-I285 WeakPolarHBondContact O-CD1 3.32Å; R278-I285 HydrophobicContact CG-CD1 4.02Å; Y281-I285 WeakPolarHBondContact O-CB 3.23Å; Y281-I285 VanDerWaalsContact O-CG1 3.27Å; Y281-I285 WeakPolarHBondContact O-CG1 3.48Å; Y281-I285 PolarHBondContact O-N 2.81Å; E282-I285 PolarHBondContact O-N 2.81Å; I285-C287 VanDerWaalsContact C-N 3.3Å; I285-C287 PolarHBondContact O-N 3.28Å; I285-L288 PolarHBondContact O-N 3.46Å; I285-S289 VanDerWaalsContact O-CB 3.28Å; I285-S289 WeakPolarHBondContact O-CB 3.24Å; I285-S289 PolarHBondContact O-N 3.3Å; I285-S289 PolarHBondContact O-OG 3.35Å; I285-L307 HydrophobicContact CG1-CD2 4.42Å; I285-L307 HydrophobicContact CG2-CD1 4.46Å; I285-L307 HydrophobicContact CG2-CD2 4.41Å |
| 286 | S | 93.4 | Very high | 91.4 | Very high | 53 Ų | 53 | 83 Ų | 83 | 37% | 0.371 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 175.6 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | E282 E283 S289 S290 | E282-S286 VanDerWaalsContact O-CB 3.27Å; E282-S286 WeakPolarHBondContact O-CB 3.17Å; E282-S286 PolarHBondContact O-N 3.22Å; E282-S286 PolarHBondContact O-OG 2.89Å; E283-S286 PolarHBondContact O-N 3.47Å; S286-S289 WeakPolarHBondContact CA-OG 3.48Å; S286-S289 PolarHBondContact O-OG 3.03Å; S286-S290 WeakPolarHBondContact O-CB 3.37Å; S286-S290 PolarHBondContact O-N 2.93Å; S286-S290 PolarHBondContact O-OG 3.01Å |
| 287 | C | 92.6 | Very high | 91 | Very high | 30 Ų | 30 | 89.3 Ų | 89.3 | 20% | 0.203 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.1 | -48.4 | 176.2 | -169 | 0 | 0 | 0 | 0 | 111.7 | E283 E284 I285 S290 K291 K292 L293 L294 | E283-C287 VanDerWaalsContact O-CB 3.28Å; E283-C287 WeakPolarHBondContact O-CB 3.25Å; E283-C287 PolarHBondContact O-N 3.2Å; E284-C287 WeakPolarHBondContact O-CB 3.3Å; E284-C287 PolarHBondContact O-N 3.45Å; I285-C287 VanDerWaalsContact C-N 3.3Å; I285-C287 PolarHBondContact O-N 3.28Å; C287-S290 CarbonylContact O-C 3.53Å; C287-S290 PolarHBondContact O-N 3.06Å; C287-K291 PolarHBondContact O-N 3.15Å; C287-K292 PolarHBondContact O-N 3.42Å; C287-K292 WeakPolarHBondContact SG-CB 3.42Å; C287-L293 PolarHBondContact SG-O 3.26Å; C287-L293 VanDerWaalsContact SG-O 3.34Å; C287-L294 HydrophobicContact CB-CD2 3.91Å |
| 288 | L | 92.5 | Very high | 90.7 | Very high | 34 Ų | 34 | 89.9 Ų | 89.9 | 18% | 0.178 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.8 | -35.6 | -179.9 | -71.1 | 172.4 | 0 | 0 | 0 | 112.6 | E284 I285 S290 K291 L294 P305 L307 L313 | E284-L288 WeakPolarHBondContact O-CB 3.42Å; E284-L288 VanDerWaalsContact O-CG 3.3Å; E284-L288 WeakPolarHBondContact O-CG 3.17Å; E284-L288 PolarHBondContact O-N 3.17Å; I285-L288 PolarHBondContact O-N 3.46Å; L288-S290 PolarHBondContact O-N 3.31Å; L288-K291 WeakPolarHBondContact O-CA 3.4Å; L288-K291 PolarHBondContact O-N 3.45Å; L288-L294 HydrophobicContact CD1-CD1 4.44Å; L288-L294 HydrophobicContact CD1-CD2 4.49Å; L288-L294 HydrophobicContact CD2-CD2 4.33Å; L288-L294 HydrophobicContact CD2-CG 4.12Å; L288-L294 HydrophobicContact CG-CD2 3.99Å; L288-L294 HydrophobicContact CG-CG 4.26Å; L288-P305 HydrophobicContact CD1-CB 4.32Å; L288-L307 HydrophobicContact CB-CD1 3.81Å; L288-L307 HydrophobicContact CB-CG 3.91Å; L288-L307 HydrophobicContact CD1-CG 4.42Å; L288-L313 HydrophobicContact CD1-CD1 3.43Å; L288-L313 VanDerWaalsContact CD1-CD1 3.43Å |
| 289 | S | 91.7 | Very high | 90.3 | Very high | 76 Ų | 76 | 92.7 Ų | 92.7 | 53% | 0.531 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.8 | -33.7 | 174.5 | 69.2 | 0 | 0 | 0 | 0 | 111.5 | I285 S286 K291 | I285-S289 VanDerWaalsContact O-CB 3.28Å; I285-S289 WeakPolarHBondContact O-CB 3.24Å; I285-S289 PolarHBondContact O-N 3.3Å; I285-S289 PolarHBondContact O-OG 3.35Å; S286-S289 WeakPolarHBondContact CA-OG 3.48Å; S286-S289 PolarHBondContact O-OG 3.03Å; S289-K291 PolarHBondContact O-N 2.86Å |
| 290 | S | 91.9 | Very high | 90.1 | Very high | 73 Ų | 73 | 86 Ų | 86 | 51% | 0.51 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 5.4 | 172.5 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | S286 C287 L288 K292 | S286-S290 WeakPolarHBondContact O-CB 3.37Å; S286-S290 PolarHBondContact O-N 2.93Å; S286-S290 PolarHBondContact O-OG 3.01Å; C287-S290 CarbonylContact O-C 3.53Å; C287-S290 PolarHBondContact O-N 3.06Å; L288-S290 PolarHBondContact O-N 3.31Å; S290-K292 PolarHBondContact O-N 3Å |
| 291 | K | 87.1 | Confident | 89.9 | Confident | 198 Ų | 198 | 86.5 Ų | 86.5 | 86% | 0.861 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 27.9 | -174.5 | -58 | -177.5 | 179.1 | 179.7 | 0 | 114.1 | C287 L288 S289 | C287-K291 PolarHBondContact O-N 3.15Å; L288-K291 WeakPolarHBondContact O-CA 3.4Å; L288-K291 PolarHBondContact O-N 3.45Å; S289-K291 PolarHBondContact O-N 2.86Å |
| 292 | K | 88.6 | Confident | 89.6 | Confident | 138 Ų | 138 | 91 Ų | 91 | 60% | 0.6 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 151.9 | 176 | -68.7 | 178.7 | -177.3 | 176.3 | 0 | 110.3 | C287 S290 | C287-K292 PolarHBondContact O-N 3.42Å; C287-K292 WeakPolarHBondContact SG-CB 3.42Å; S290-K292 PolarHBondContact O-N 3Å |
| 293 | L | 86.1 | Confident | 89.3 | Confident | 170 Ų | 170 | 89.9 Ų | 89.9 | 89% | 0.89 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 139.2 | 174.1 | -70.8 | 169 | 0 | 0 | 0 | 110.3 | C287 | C287-L293 PolarHBondContact SG-O 3.26Å; C287-L293 VanDerWaalsContact SG-O 3.34Å |
| 294 | L | 87.8 | Confident | 89.2 | Confident | 23 Ų | 23 | 86.1 Ų | 86.1 | 12% | 0.12 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 151.9 | 176 | -71.6 | -172.8 | 0 | 0 | 0 | 112 | E284 C287 L288 L301 P305 | E284-L294 HydrophobicContact CB-CD1 4.44Å; E284-L294 HydrophobicContact CB-CD2 3.73Å; E284-L294 HydrophobicContact CG-CD1 4.21Å; E284-L294 HydrophobicContact CG-CD2 3.75Å; C287-L294 HydrophobicContact CB-CD2 3.91Å; L288-L294 HydrophobicContact CD1-CD1 4.44Å; L288-L294 HydrophobicContact CD1-CD2 4.49Å; L288-L294 HydrophobicContact CD2-CD2 4.33Å; L288-L294 HydrophobicContact CD2-CG 4.12Å; L288-L294 HydrophobicContact CG-CD2 3.99Å; L288-L294 HydrophobicContact CG-CG 4.26Å; L294-L301 HydrophobicContact CB-CD1 3.94Å; L294-P305 HydrophobicContact CD1-CB 4.36Å; L294-P305 HydrophobicContact CD1-CG 3.19Å; L294-P305 HydrophobicContact CG-CG 4.47Å |
| 295 | R | 87.9 | Confident | 89.2 | Confident | 167 Ų | 167 | 85.3 Ų | 85.3 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 139.1 | 176.4 | -168.5 | 177.4 | 70.2 | -175.5 | -1.8 | 110.3 | Q297 S298 | R295-Q297 PolarHBondContact O-N 3.46Å; R295-Q297 VanDerWaalsContact O-N 3.09Å; R295-S298 WeakPolarHBondContact O-CB 3.46Å; R295-S298 PolarHBondContact O-N 2.93Å |
| 296 | V | 86.5 | Confident | 89.2 | Confident | 119 Ų | 119 | 86.7 Ų | 86.7 | 72% | 0.721 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.1 | -179.8 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | S298 | V296-S298 VanDerWaalsContact C-N 3.31Å; V296-S298 PolarHBondContact O-N 3.46Å |
| 297 | Q | 85.9 | Confident | 89.2 | Confident | 135 Ų | 135 | 86.2 Ų | 86.2 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.9 | 177.9 | -61.1 | 83.6 | 5.9 | 0 | 0 | 114.8 | R295 K299 | R295-Q297 PolarHBondContact O-N 3.46Å; R295-Q297 VanDerWaalsContact O-N 3.09Å; Q297-K299 PolarHBondContact O-N 3Å |
| 298 | S | 87.2 | Confident | 89.2 | Confident | 13 Ų | 13 | 85.7 Ų | 85.7 | 9% | 0.091 | 44% | 0.44 | C | S | . | . | trans | -65.4 | 132.6 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | E284 R295 V296 I300 L301 | E284-S298 PolarHBondContact OE1-OG 3.48Å; R295-S298 WeakPolarHBondContact O-CB 3.46Å; R295-S298 PolarHBondContact O-N 2.93Å; V296-S298 VanDerWaalsContact C-N 3.31Å; V296-S298 PolarHBondContact O-N 3.46Å; S298-I300 PolarHBondContact O-N 3.28Å; S298-I300 VanDerWaalsContact OG-CG1 3.27Å; S298-I300 WeakPolarHBondContact OG-CG1 3.49Å; S298-I300 PolarHBondContact OG-N 3.4Å; S298-L301 WeakPolarHBondContact O-CB 3.28Å; S298-L301 PolarHBondContact O-N 3.43Å | ||
| 299 | K | 85.4 | Confident | 89 | Confident | 193 Ų | 193 | 93.8 Ų | 93.8 | 84% | 0.839 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.1 | -178.3 | -63.1 | 177.2 | -176 | 169.4 | 0 | 112.8 | Q297 | Q297-K299 PolarHBondContact O-N 3Š|
| 300 | I | 88.8 | Confident | 88.7 | Confident | 5 Ų | 5 | 94.6 Ų | 94.6 | 3% | 0.026 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -1.8 | -176 | 60.5 | 165.1 | 0 | 0 | 0 | 113 | Y281 E284 S298 T302 L303 P305 L313 I333 | Y281-I300 HydrophobicContact CD1-CD1 4.32Å; Y281-I300 HydrophobicContact CD1-CG2 4.33Å; Y281-I300 HydrophobicContact CE1-CG2 3.68Å; Y281-I300 HydrophobicContact CG-CD1 4.49Å; E284-I300 HydrophobicContact CB-CD1 4.09Å; E284-I300 HydrophobicContact CG-CD1 4.01Å; E284-I300 HydrophobicContact CG-CG1 4.27Å; S298-I300 PolarHBondContact O-N 3.28Å; S298-I300 VanDerWaalsContact OG-CG1 3.27Å; S298-I300 WeakPolarHBondContact OG-CG1 3.49Å; S298-I300 PolarHBondContact OG-N 3.4Å; I300-T302 PolarHBondContact O-N 2.84Å; I300-L303 HydrophobicContact CB-CD1 4.47Å; I300-L303 HydrophobicContact CG2-CD1 4.49Å; I300-L303 WeakPolarHBondContact O-CB 3.3Å; I300-L303 PolarHBondContact O-N 3.34Å; I300-P305 HydrophobicContact CD1-CB 4.08Å; I300-P305 HydrophobicContact CD1-CG 4.18Å; I300-P305 HydrophobicContact CG1-CG 4.3Å; I300-P305 WeakPolarHBondContact O-CD 3.4Å; I300-L313 HydrophobicContact CD1-CD2 3.66Å; I300-I333 HydrophobicContact CB-CG2 4.48Å; I300-I333 HydrophobicContact CG2-CG2 3.94Å |
| 301 | L | 88.1 | Confident | 88.6 | Confident | 66 Ų | 66 | 92.5 Ų | 92.5 | 35% | 0.346 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -57.4 | -36.5 | -177.9 | -176.7 | 65.2 | 0 | 0 | 0 | 112.4 | L294 S298 L303 S304 | L294-L301 HydrophobicContact CB-CD1 3.94Å; S298-L301 WeakPolarHBondContact O-CB 3.28Å; S298-L301 PolarHBondContact O-N 3.43Å; L301-L303 PolarHBondContact O-N 3.06Å; L301-S304 PolarHBondContact O-N 3.48Å |
| 302 | T | 87 | Confident | 88.9 | Confident | 127 Ų | 127 | 83.1 Ų | 83.1 | 78% | 0.779 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -63.3 | -20 | 177.8 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | I300 S304 | I300-T302 PolarHBondContact O-N 2.84Å; T302-S304 VanDerWaalsContact C-N 3.29Å |
| 303 | L | 88.1 | Confident | 89.2 | Confident | 72 Ų | 72 | 76.5 Ų | 76.5 | 38% | 0.377 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -86.9 | 3 | 177.3 | -56.3 | 177.6 | 0 | 0 | 0 | 113 | I300 L301 A315 Q316 I333 | I300-L303 HydrophobicContact CB-CD1 4.47Å; I300-L303 HydrophobicContact CG2-CD1 4.49Å; I300-L303 WeakPolarHBondContact O-CB 3.3Å; I300-L303 PolarHBondContact O-N 3.34Å; L301-L303 PolarHBondContact O-N 3.06Å; L303-A315 HydrophobicContact CB-CB 4.17Å; L303-A315 WeakPolarHBondContact O-CA 3.4Å; L303-Q316 PolarHBondContact O-N 3.49Å; L303-I333 HydrophobicContact CB-CD1 4.08Å; L303-I333 HydrophobicContact CD1-CD1 4.23Å; L303-I333 HydrophobicContact CD1-CG1 4.29Å; L303-I333 HydrophobicContact CD1-CG2 4.21Å |
| 304 | S | 88.8 | Confident | 89.6 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | trans | 47.7 | 62.9 | -175.9 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | L301 T302 Q316 | L301-S304 PolarHBondContact O-N 3.48Å; T302-S304 VanDerWaalsContact C-N 3.29Å; S304-Q316 WeakPolarHBondContact O-CB 3.24Å; S304-Q316 PolarHBondContact O-N 2.84Å | ||
| 305 | P | 93.4 | Very high | 89.8 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 142.3 | -169.6 | 31.5 | -36.8 | 0 | 0 | 0 | 112.2 | L288 L294 I300 L313 R314 I333 | L288-P305 HydrophobicContact CD1-CB 4.32Å; L294-P305 HydrophobicContact CD1-CB 4.36Å; L294-P305 HydrophobicContact CD1-CG 3.19Å; L294-P305 HydrophobicContact CG-CG 4.47Å; I300-P305 HydrophobicContact CD1-CB 4.08Å; I300-P305 HydrophobicContact CD1-CG 4.18Å; I300-P305 HydrophobicContact CG1-CG 4.3Å; I300-P305 WeakPolarHBondContact O-CD 3.4Å; P305-L313 HydrophobicContact CB-CD1 4.11Å; P305-R314 WeakPolarHBondContact CA-O 3.17Å; P305-I333 HydrophobicContact CB-CD1 3.55Å |
| 306 | F | 93.6 | Very high | 89.7 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 20% | 0.197 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 162.6 | 172.4 | 73.4 | -81.7 | 0 | 0 | 0 | 111 | R314 Q316 H330 | F306-R314 HydrophobicContact CD1-CB 4.38Å; F306-R314 WeakPolarHBondContact CD1-O 3.17Å; F306-R314 HydrophobicContact CE1-CB 3.82Å; F306-R314 HydrophobicContact CE2-CB 4.37Å; F306-R314 HydrophobicContact CZ-CB 3.83Å; F306-R314 PolarHBondContact N-O 3.33Å; F306-R314 PolarHBondContact O-N 2.51Å; F306-Q316 HydrophobicContact CD1-CB 3.95Å; F306-Q316 HydrophobicContact CE1-CB 4.01Å; F306-H330 HydrophobicContact CE1-CB 4.14Å; F306-H330 AromaticContact CE1-ND1 3.54Å; F306-H330 HydrophobicContact CZ-CB 3.77Å; F306-H330 AromaticContact CZ-CG 3.62Å; F306-H330 AromaticContact CZ-ND1 3.55Å |
| 307 | L | 94.3 | Very high | 89.3 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.7 | 175 | -65.9 | 175.1 | 0 | 0 | 0 | 110.6 | I285 L288 S312 L313 | I285-L307 HydrophobicContact CG1-CD2 4.42Å; I285-L307 HydrophobicContact CG2-CD1 4.46Å; I285-L307 HydrophobicContact CG2-CD2 4.41Å; L288-L307 HydrophobicContact CB-CD1 3.81Å; L288-L307 HydrophobicContact CB-CG 3.91Å; L288-L307 HydrophobicContact CD1-CG 4.42Å; L307-S312 WeakPolarHBondContact CA-O 3.07Å; L307-L313 HydrophobicContact CD2-CB 4.31Å; L307-L313 HydrophobicContact CD2-CD1 3.92Å |
| 308 | D | 91.5 | Very high | 89.1 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | trans | -79.7 | -179.9 | 172.1 | 77.3 | 6.1 | 0 | 0 | 0 | 112.6 | K310 G311 S312 R314 | D308-K310 PolarHBondContact O-N 3.34Å; D308-K310 VanDerWaalsContact O-N 3.16Å; D308-K310 VanDerWaalsContact OD1-CA 3.31Å; D308-K310 WeakPolarHBondContact OD1-CA 3.37Å; D308-K310 WeakPolarHBondContact OD1-CB 3.27Å; D308-K310 PolarHBondContact OD1-N 2.8Å; D308-G311 PolarHBondContact O-N 3.1Å; D308-G311 PolarHBondContact OD1-N 3.23Å; D308-S312 PolarHBondContact N-O 2.96Å; D308-S312 WeakPolarHBondContact OD1-CB 3.23Å; D308-S312 PolarHBondContact OD1-N 3.19Å; D308-R314 IonicContact OD2-CZ 3.37Å; D308-R314 IonicContact OD2-NE 3.8Å; D308-R314 PolarHBondContact OD2-NE 3.46Å; D308-R314 IonicContact OD2-NH2 3.42Å; D308-R314 PolarHBondContact OD2-NH2 2.89Å; D308-R314 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 309 | Q | 88.7 | Confident | 88.7 | Confident | 204 Ų | 204 | 68.5 Ų | 68.5 | 95% | 0.953 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.8 | 179.6 | -63.8 | 179.7 | 3 | 0 | 0 | 113.6 | G311 | Q309-G311 VanDerWaalsContact C-N 3.34Š|
| 310 | K | 86.2 | Confident | 88.5 | Confident | 93 Ų | 93 | 64.2 Ų | 64.2 | 40% | 0.404 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 2.4 | 176.6 | -63 | -171.8 | 174.5 | -167.4 | 0 | 112.3 | E267 I270 N274 D308 S312 | E267-K310 IonicContact OE1-NZ 3.15Å; E267-K310 PolarHBondContact OE1-NZ 3.43Å; E267-K310 IonicContact OE2-NZ 2.77Å; E267-K310 PolarHBondContact OE2-NZ 3.29Å; I270-K310 HydrophobicContact CD1-CD 4.11Å; I270-K310 HydrophobicContact CG2-CD 3.97Å; N274-K310 PolarHBondContact ND2-O 3.03Å; D308-K310 PolarHBondContact O-N 3.34Å; D308-K310 VanDerWaalsContact O-N 3.16Å; D308-K310 VanDerWaalsContact OD1-CA 3.31Å; D308-K310 WeakPolarHBondContact OD1-CA 3.37Å; D308-K310 WeakPolarHBondContact OD1-CB 3.27Å; D308-K310 PolarHBondContact OD1-N 2.8Å; K310-S312 VanDerWaalsContact C-N 3.29Å |
| 311 | G | 90.6 | Very high | 88.2 | Confident | 29 Ų | 29 | 75.8 Ų | 75.8 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 73.7 | 18.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D308 Q309 | D308-G311 PolarHBondContact O-N 3.1Å; D308-G311 PolarHBondContact OD1-N 3.23Å; Q309-G311 VanDerWaalsContact C-N 3.34Å |
| 312 | S | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -82.9 | 138.5 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 111 | N274 L307 D308 K310 R314 | N274-S312 WeakPolarHBondContact OD1-CA 3.44Å; N274-S312 WeakPolarHBondContact OD1-CB 3.48Å; N274-S312 PolarHBondContact OD1-OG 3.03Å; L307-S312 WeakPolarHBondContact CA-O 3.07Å; D308-S312 PolarHBondContact N-O 2.96Å; D308-S312 WeakPolarHBondContact OD1-CB 3.23Å; D308-S312 PolarHBondContact OD1-N 3.19Å; K310-S312 VanDerWaalsContact C-N 3.29Å; S312-R314 PolarHBondContact O-N 3.29Å | ||
| 313 | L | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 118.2 | 177.2 | -165.7 | 68.5 | 0 | 0 | 0 | 110.3 | Q277 Y281 L288 I300 P305 L307 I333 | Q277-L313 HydrophobicContact CG-CB 4.31Å; Q277-L313 PolarHBondContact NE2-O 3.2Å; Y281-L313 HydrophobicContact CD2-CD2 3.89Å; Y281-L313 HydrophobicContact CG-CD2 4.14Å; L288-L313 HydrophobicContact CD1-CD1 3.43Å; L288-L313 VanDerWaalsContact CD1-CD1 3.43Å; I300-L313 HydrophobicContact CD1-CD2 3.66Å; P305-L313 HydrophobicContact CB-CD1 4.11Å; L307-L313 HydrophobicContact CD2-CB 4.31Å; L307-L313 HydrophobicContact CD2-CD1 3.92Å; L313-I333 HydrophobicContact CD2-CB 4.13Å; L313-I333 HydrophobicContact CD2-CG2 4.17Å; L313-I333 HydrophobicContact CG-CB 4.17Å; L313-I333 HydrophobicContact CG-CD1 4.19Å; L313-I333 PolarHBondContact O-N 3.16Å |
| 314 | R | 93.9 | Very high | 87.3 | Confident | 8 Ų | 8 | 77.9 Ų | 77.9 | 3% | 0.03 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 151.5 | -178.5 | -67.9 | -177.8 | -178.1 | -89.3 | 3.2 | 111.7 | P305 F306 D308 S312 H330 P331 F332 | P305-R314 WeakPolarHBondContact CA-O 3.17Å; F306-R314 HydrophobicContact CD1-CB 4.38Å; F306-R314 WeakPolarHBondContact CD1-O 3.17Å; F306-R314 HydrophobicContact CE1-CB 3.82Å; F306-R314 HydrophobicContact CE2-CB 4.37Å; F306-R314 HydrophobicContact CZ-CB 3.83Å; F306-R314 PolarHBondContact N-O 3.33Å; F306-R314 PolarHBondContact O-N 2.51Å; D308-R314 IonicContact OD2-CZ 3.37Å; D308-R314 IonicContact OD2-NE 3.8Å; D308-R314 PolarHBondContact OD2-NE 3.46Å; D308-R314 IonicContact OD2-NH2 3.42Å; D308-R314 PolarHBondContact OD2-NH2 2.89Å; D308-R314 VanDerWaalsContact OD2-NH2 3.15Å; S312-R314 PolarHBondContact O-N 3.29Å; R314-H330 HydrophobicContact CB-CB 4.21Å; R314-H330 VanDerWaalsContact CD-O 3.25Å; R314-H330 WeakPolarHBondContact CD-O 3.41Å; R314-H330 PolarHBondContact NH1-O 3.29Å; R314-P331 CarbonylContact C-O 3.59Å; R314-P331 VanDerWaalsContact CA-O 3.29Å; R314-P331 WeakPolarHBondContact CA-O 3.35Å; R314-F332 HydrophobicContact CG-CD1 4.12Å |
| 315 | A | 91.3 | Very high | 86.8 | Confident | 14 Ų | 14 | 78.3 Ų | 78.3 | 12% | 0.116 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 137.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L303 H330 P331 I333 | L303-A315 HydrophobicContact CB-CB 4.17Å; L303-A315 WeakPolarHBondContact O-CA 3.4Å; A315-H330 WeakPolarHBondContact O-CA 3.44Å; A315-P331 HydrophobicContact CB-CG 4.32Å; A315-P331 PolarHBondContact N-O 2.84Å; A315-I333 HydrophobicContact CB-CD1 4.06Å; A315-I333 HydrophobicContact CB-CG1 3.89Å |
| 316 | Q | 86.2 | Confident | 86.5 | Confident | 78 Ų | 78 | 82.4 Ų | 82.4 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | trans | -95.8 | 161.9 | 166.1 | -165.4 | 167.3 | -4.1 | 0 | 0 | 109.7 | L303 S304 F306 E320 | L303-Q316 PolarHBondContact O-N 3.49Å; S304-Q316 WeakPolarHBondContact O-CB 3.24Å; S304-Q316 PolarHBondContact O-N 2.84Å; F306-Q316 HydrophobicContact CD1-CB 3.95Å; F306-Q316 HydrophobicContact CE1-CB 4.01Å; Q316-E320 VanDerWaalsContact NE2-CD 3.32Å; Q316-E320 PolarHBondContact NE2-OE1 3.21Å; Q316-E320 PolarHBondContact NE2-OE2 2.92Å | ||
| 317 | G | 79.5 | Confident | 85.9 | Confident | 40 Ų | 40 | 85.7 Ų | 85.7 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | trans | 177.6 | -159.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | L319 E320 | G317-L319 PolarHBondContact O-N 3.49Å; G317-L319 VanDerWaalsContact O-N 3.08Å; G317-E320 PolarHBondContact O-N 2.91Å | ||
| 318 | R | 80 | Confident | 85.3 | Confident | 241 Ų | 241 | 87 Ų | 87 | 91% | 0.909 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.5 | -170.4 | -61.9 | 177.4 | -68.8 | -179.8 | -0.2 | 114.6 | ||
| 319 | L | 79.8 | Confident | 84.9 | Confident | 78 Ų | 78 | 88.3 Ų | 88.3 | 41% | 0.408 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 1.3 | -177.1 | -61.2 | -179.4 | 0 | 0 | 0 | 113.8 | G317 R321 A322 L324 | G317-L319 PolarHBondContact O-N 3.49Å; G317-L319 VanDerWaalsContact O-N 3.08Å; L319-R321 PolarHBondContact O-N 3.14Å; L319-A322 HydrophobicContact CB-CB 4.43Å; L319-A322 HydrophobicContact CD2-CB 4.43Å; L319-A322 WeakPolarHBondContact O-CB 3.43Å; L319-A322 PolarHBondContact O-N 3.29Å; L319-L324 HydrophobicContact CD1-CD1 4.38Å; L319-L324 HydrophobicContact CD2-CD1 4.49Å |
| 320 | E | 80.8 | Confident | 85 | Confident | 103 Ų | 103 | 79.4 Ų | 79.4 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -40.6 | -177 | -173.1 | 171 | 179.4 | 0 | 0 | 112.8 | Q316 G317 K329 | Q316-E320 VanDerWaalsContact NE2-CD 3.32Å; Q316-E320 PolarHBondContact NE2-OE1 3.21Å; Q316-E320 PolarHBondContact NE2-OE2 2.92Å; G317-E320 PolarHBondContact O-N 2.91Å; E320-K329 PolarHBondContact O-NZ 3.5Å |
| 321 | R | 82.6 | Confident | 85.2 | Confident | 248 Ų | 248 | 77.5 Ų | 77.5 | 94% | 0.936 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.2 | 178.5 | -63 | -174.3 | -178.5 | 163.5 | 0.5 | 114.9 | L319 | L319-R321 PolarHBondContact O-N 3.14Š|
| 322 | A | 80.5 | Confident | 85.3 | Confident | 31 Ų | 31 | 78.2 Ų | 78.2 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -73.5 | 151.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | L319 L324 K329 | L319-A322 HydrophobicContact CB-CB 4.43Å; L319-A322 HydrophobicContact CD2-CB 4.43Å; L319-A322 WeakPolarHBondContact O-CB 3.43Å; L319-A322 PolarHBondContact O-N 3.29Å; A322-L324 HydrophobicContact CB-CD1 3.88Å; A322-L324 HydrophobicContact CB-CG 3.99Å; A322-L324 PolarHBondContact O-N 2.92Å; A322-K329 WeakPolarHBondContact O-CE 3.48Å; A322-K329 PolarHBondContact O-NZ 3.37Å |
| 323 | E | 84.5 | Confident | 85.3 | Confident | 202 Ų | 202 | 78.6 Ų | 78.6 | 94% | 0.944 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -84.1 | 66.7 | 174.8 | -163.8 | 173.3 | -176.5 | 0 | 0 | 110.4 | ||
| 324 | L | 79.7 | Confident | 85.1 | Confident | 75 Ų | 75 | 80.6 Ų | 80.6 | 39% | 0.393 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -123.1 | 157 | -177.3 | -66.1 | 174.3 | 0 | 0 | 0 | 111.3 | L319 A322 V328 K329 | L319-L324 HydrophobicContact CD1-CD1 4.38Å; L319-L324 HydrophobicContact CD2-CD1 4.49Å; A322-L324 HydrophobicContact CB-CD1 3.88Å; A322-L324 HydrophobicContact CB-CG 3.99Å; A322-L324 PolarHBondContact O-N 2.92Å; L324-V328 HydrophobicContact CB-CB 4.38Å; L324-V328 HydrophobicContact CB-CG1 4.39Å; L324-V328 HydrophobicContact CD1-CG1 4.03Å; L324-K329 HydrophobicContact CB-CG 4.04Å; L324-K329 WeakPolarHBondContact O-CE 3.39Å |
| 325 | P | 78.5 | Confident | 85 | Confident | 78 Ų | 78 | 80.6 Ų | 80.6 | 51% | 0.506 | 39% | 0.391 | S | S | . | . | trans | -56.2 | 147.6 | 172 | -24.2 | 34.3 | 0 | 0 | 0 | 112.1 | E327 V328 K329 | P325-E327 PolarHBondContact O-N 3.04Å; P325-V328 HydrophobicContact CB-CG2 4.23Å; P325-V328 HydrophobicContact CG-CG2 4.34Å; P325-V328 WeakPolarHBondContact O-CB 3.48Å; P325-V328 PolarHBondContact O-N 3.47Å; P325-K329 PolarHBondContact O-N 3.42Å; P325-K329 VanDerWaalsContact O-N 3.08Å | ||
| 326 | Y | 85.9 | Confident | 84.7 | Confident | 100 Ų | 100 | 89 Ų | 89 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -54.2 | -40.4 | -176.1 | 178.3 | -95.8 | 0 | 0 | 0 | 112.3 | V328 K329 H330 | Y326-V328 PolarHBondContact O-N 3.09Å; Y326-K329 PolarHBondContact O-N 3.05Å; Y326-H330 AromaticContact CD2-CD2 3.56Å; Y326-H330 AromaticContact CE2-CD2 3.37Å; Y326-H330 WeakPolarHBondContact CE2-CD2 3.34Å; Y326-H330 AromaticContact CZ-CD2 3.92Å; Y326-H330 PolarHBondContact O-N 3.19Å |
| 327 | E | 82.3 | Confident | 84.6 | Confident | 114 Ų | 114 | 94.7 Ų | 94.7 | 53% | 0.533 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.5 | -29.2 | -179.5 | -59.2 | 75.2 | -164.2 | 0 | 0 | 112.6 | P325 H330 | P325-E327 PolarHBondContact O-N 3.04Å; E327-H330 CarbonylContact O-C 3.51Å |
| 328 | V | 81.4 | Confident | 85 | Confident | 71 Ų | 71 | 94.7 Ų | 94.7 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -82.8 | -39.6 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | L324 P325 Y326 H330 | L324-V328 HydrophobicContact CB-CB 4.38Å; L324-V328 HydrophobicContact CB-CG1 4.39Å; L324-V328 HydrophobicContact CD1-CG1 4.03Å; P325-V328 HydrophobicContact CB-CG2 4.23Å; P325-V328 HydrophobicContact CG-CG2 4.34Å; P325-V328 WeakPolarHBondContact O-CB 3.48Å; P325-V328 PolarHBondContact O-N 3.47Å; Y326-V328 PolarHBondContact O-N 3.09Å; V328-H330 VanDerWaalsContact C-N 3.28Å; V328-H330 PolarHBondContact O-N 3.18Å |
| 329 | K | 83.9 | Confident | 85.3 | Confident | 47 Ų | 47 | 87.8 Ų | 87.8 | 20% | 0.204 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 175.4 | -63.1 | -169.8 | -169.7 | -159.8 | 0 | 112.1 | E320 A322 L324 P325 Y326 P331 | E320-K329 PolarHBondContact O-NZ 3.5Å; A322-K329 WeakPolarHBondContact O-CE 3.48Å; A322-K329 PolarHBondContact O-NZ 3.37Å; L324-K329 HydrophobicContact CB-CG 4.04Å; L324-K329 WeakPolarHBondContact O-CE 3.39Å; P325-K329 PolarHBondContact O-N 3.42Å; P325-K329 VanDerWaalsContact O-N 3.08Å; Y326-K329 PolarHBondContact O-N 3.05Å; K329-P331 WeakPolarHBondContact O-CD 3.44Å |
| 330 | H | 90.5 | Very high | 85.6 | Confident | 18 Ų | 18 | 85 Ų | 85 | 8% | 0.083 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -126.5 | 74.8 | -172 | -56 | -65.6 | 0 | 0 | 0 | 110.7 | F306 R314 A315 Y326 E327 V328 | F306-H330 HydrophobicContact CE1-CB 4.14Å; F306-H330 AromaticContact CE1-ND1 3.54Å; F306-H330 HydrophobicContact CZ-CB 3.77Å; F306-H330 AromaticContact CZ-CG 3.62Å; F306-H330 AromaticContact CZ-ND1 3.55Å; R314-H330 HydrophobicContact CB-CB 4.21Å; R314-H330 VanDerWaalsContact CD-O 3.25Å; R314-H330 WeakPolarHBondContact CD-O 3.41Å; R314-H330 PolarHBondContact NH1-O 3.29Å; A315-H330 WeakPolarHBondContact O-CA 3.44Å; Y326-H330 AromaticContact CD2-CD2 3.56Å; Y326-H330 AromaticContact CE2-CD2 3.37Å; Y326-H330 WeakPolarHBondContact CE2-CD2 3.34Å; Y326-H330 AromaticContact CZ-CD2 3.92Å; Y326-H330 PolarHBondContact O-N 3.19Å; E327-H330 CarbonylContact O-C 3.51Å; V328-H330 VanDerWaalsContact C-N 3.28Å; V328-H330 PolarHBondContact O-N 3.18Å |
| 331 | P | 90.2 | Very high | 85.9 | Confident | 52 Ų | 52 | 80.9 Ų | 80.9 | 34% | 0.338 | 39% | 0.385 | S | S | . | . | trans | -66.8 | 153.1 | -178.5 | 28.2 | -34.5 | 0 | 0 | 0 | 111.6 | R314 A315 K329 | R314-P331 CarbonylContact C-O 3.59Å; R314-P331 VanDerWaalsContact CA-O 3.29Å; R314-P331 WeakPolarHBondContact CA-O 3.35Å; A315-P331 HydrophobicContact CB-CG 4.32Å; A315-P331 PolarHBondContact N-O 2.84Å; K329-P331 WeakPolarHBondContact O-CD 3.44Å | ||
| 332 | F | 92.6 | Very high | 85.8 | Confident | 45 Ų | 45 | 73 Ų | 73 | 20% | 0.197 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 137.4 | 173.9 | -64.2 | -66.1 | 0 | 0 | 0 | 111.3 | F269 I270 V273 R314 L334 | F269-F332 HydrophobicContact CD1-CE2 4.49Å; F269-F332 HydrophobicContact CE1-CD2 4.15Å; F269-F332 AromaticContact CE1-CE2 3.9Å; F269-F332 HydrophobicContact CE1-CE2 3.9Å; I270-F332 HydrophobicContact CG1-CZ 3.97Å; V273-F332 HydrophobicContact CG1-CB 4.1Å; V273-F332 HydrophobicContact CG1-CD1 3.72Å; V273-F332 HydrophobicContact CG1-CD2 4.46Å; V273-F332 HydrophobicContact CG1-CE1 4.21Å; V273-F332 HydrophobicContact CG1-CG 3.86Å; V273-F332 HydrophobicContact CG2-CD2 4.49Å; R314-F332 HydrophobicContact CG-CD1 4.12Å; F332-L334 HydrophobicContact CB-CD2 4.26Å; F332-L334 HydrophobicContact CB-CG 4.23Å; F332-L334 PolarHBondContact O-N 3.02Å |
| 333 | I | 92.4 | Very high | 85.7 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | trans | -83.7 | 111 | 169.7 | -63.4 | -179.9 | 0 | 0 | 0 | 107.6 | Q277 Y281 I300 L303 P305 L313 A315 | Q277-I333 WeakPolarHBondContact CG-O 3.3Å; Q277-I333 PolarHBondContact NE2-O 2.82Å; Y281-I333 HydrophobicContact CE2-CG2 4.09Å; I300-I333 HydrophobicContact CB-CG2 4.48Å; I300-I333 HydrophobicContact CG2-CG2 3.94Å; L303-I333 HydrophobicContact CB-CD1 4.08Å; L303-I333 HydrophobicContact CD1-CD1 4.23Å; L303-I333 HydrophobicContact CD1-CG1 4.29Å; L303-I333 HydrophobicContact CD1-CG2 4.21Å; P305-I333 HydrophobicContact CB-CD1 3.55Å; L313-I333 HydrophobicContact CD2-CB 4.13Å; L313-I333 HydrophobicContact CD2-CG2 4.17Å; L313-I333 HydrophobicContact CG-CB 4.17Å; L313-I333 HydrophobicContact CG-CD1 4.19Å; L313-I333 PolarHBondContact O-N 3.16Å; A315-I333 HydrophobicContact CB-CD1 4.06Å; A315-I333 HydrophobicContact CB-CG1 3.89Å | ||
| 334 | L | 91.8 | Very high | 85.3 | Confident | 43 Ų | 43 | 67.8 Ų | 67.8 | 23% | 0.225 | 34% | 0.335 | C | S | . | . | trans | -110.8 | 139.3 | -178 | -64.9 | -179.4 | 0 | 0 | 0 | 111.7 | V273 F332 R336 T341 | V273-L334 HydrophobicContact CB-CD2 4.45Å; V273-L334 HydrophobicContact CG1-CD2 3.83Å; V273-L334 HydrophobicContact CG2-CD2 4.11Å; F332-L334 HydrophobicContact CB-CD2 4.26Å; F332-L334 HydrophobicContact CB-CG 4.23Å; F332-L334 PolarHBondContact O-N 3.02Å; L334-R336 PolarHBondContact O-N 3.38Å; L334-T341 HydrophobicContact CB-CG2 4.02Å; L334-T341 WeakPolarHBondContact CB-OG1 3.48Å | ||
| 335 | P | 90.7 | Very high | 84.9 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | trans | -69.8 | 121.6 | 178.4 | 20.1 | -24 | 0 | 0 | 0 | 112.6 | S280 Y281 K337 H338 T341 | S280-P335 VanDerWaalsContact OG-CB 3.26Å; S280-P335 WeakPolarHBondContact OG-CB 3.36Å; S280-P335 VanDerWaalsContact OG-CG 3.3Å; S280-P335 WeakPolarHBondContact OG-CG 3.29Å; Y281-P335 HydrophobicContact CE2-CB 3.99Å; Y281-P335 HydrophobicContact CE2-CG 4.24Å; Y281-P335 WeakPolarHBondContact OH-CA 3.46Å; P335-K337 PolarHBondContact O-N 3.38Å; P335-H338 HydrophobicContact CB-CB 4.07Å; P335-H338 HydrophobicContact CG-CB 3.58Å; P335-H338 WeakPolarHBondContact O-CB 3.32Å; P335-H338 PolarHBondContact O-N 3.41Å; P335-T341 WeakPolarHBondContact O-CB 3.26Å; P335-T341 PolarHBondContact O-OG1 2.93Å | ||
| 336 | R | 85.1 | Confident | 84.3 | Confident | 190 Ų | 190 | 68.3 Ų | 68.3 | 72% | 0.717 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -35 | -172.8 | -178.9 | 175.2 | 177 | 147.6 | 0.7 | 115.7 | L334 | L334-R336 PolarHBondContact O-N 3.38Š|
| 337 | K | 84.4 | Confident | 83.1 | Confident | 197 Ų | 197 | 71.2 Ų | 71.2 | 86% | 0.857 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 5.4 | -174.9 | -70 | -172 | 176.2 | -174.1 | 0 | 113.9 | P335 | P335-K337 PolarHBondContact O-N 3.38Š|
| 338 | H | 86.8 | Confident | 82 | Confident | 40 Ų | 40 | 70.8 Ų | 70.8 | 19% | 0.185 | 35% | 0.348 | C | S | . | . | trans | -85.1 | 142.7 | -175.4 | -172.8 | -84.3 | 0 | 0 | 0 | 111.5 | A276 E279 P335 L340 T341 N342 | A276-H338 WeakPolarHBondContact CB-CE1 3.45Å; E279-H338 IonicContact OE2-CD2 3.72Å; E279-H338 IonicContact OE2-NE2 2.84Å; E279-H338 PolarHBondContact OE2-NE2 3.34Å; P335-H338 HydrophobicContact CB-CB 4.07Å; P335-H338 HydrophobicContact CG-CB 3.58Å; P335-H338 WeakPolarHBondContact O-CB 3.32Å; P335-H338 PolarHBondContact O-N 3.41Å; H338-L340 VanDerWaalsContact C-N 3.28Å; H338-L340 WeakPolarHBondContact ND1-CB 3.35Å; H338-L340 PolarHBondContact ND1-N 2.67Å; H338-L340 PolarHBondContact O-N 3.02Å; H338-T341 WeakPolarHBondContact O-CB 3.32Å; H338-T341 PolarHBondContact O-N 3.49Å; H338-N342 PolarHBondContact O-N 3.06Å | ||
| 339 | T | 87.4 | Confident | 80.5 | Confident | 96 Ų | 96 | 68.3 Ų | 68.3 | 59% | 0.589 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55.3 | -42.1 | -177.5 | -50.5 | 0 | 0 | 0 | 0 | 112.1 | T341 N342 M343 | T339-T341 VanDerWaalsContact C-N 3.28Å; T339-T341 PolarHBondContact O-N 3.05Å; T339-N342 PolarHBondContact O-N 3.01Å; T339-M343 HydrophobicContact CG2-CE 4.19Å; T339-M343 HydrophobicContact CG2-CG 4.48Å; T339-M343 HydrophobicContact CG2-SD 4.43Å; T339-M343 WeakPolarHBondContact O-CG 3.03Å; T339-M343 PolarHBondContact O-N 3.28Å |
| 340 | L | 85.9 | Confident | 78.7 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57 | -39.1 | 174.6 | -173.9 | 66.2 | 0 | 0 | 0 | 113 | F269 C272 V273 A276 H338 M343 T344 | F269-L340 HydrophobicContact CE2-CD1 4.43Å; C272-L340 HydrophobicContact CB-CD1 4.24Å; C272-L340 HydrophobicContact CB-CD2 4.1Å; C272-L340 WeakPolarHBondContact O-CD2 3.41Å; V273-L340 HydrophobicContact CB-CD2 4.43Å; V273-L340 HydrophobicContact CG2-CD2 3.91Å; A276-L340 HydrophobicContact CB-CD2 3.91Å; H338-L340 VanDerWaalsContact C-N 3.28Å; H338-L340 WeakPolarHBondContact ND1-CB 3.35Å; H338-L340 PolarHBondContact ND1-N 2.67Å; H338-L340 PolarHBondContact O-N 3.02Å; L340-M343 HydrophobicContact CB-CE 4.46Å; L340-M343 HydrophobicContact CD1-CE 4.14Å; L340-M343 PolarHBondContact O-N 3.17Å; L340-T344 HydrophobicContact CD1-CG2 4.32Å; L340-T344 HydrophobicContact CG-CG2 4.35Å; L340-T344 WeakPolarHBondContact O-CB 3.45Å; L340-T344 VanDerWaalsContact O-CG2 3.28Å; L340-T344 WeakPolarHBondContact O-CG2 3.16Å; L340-T344 PolarHBondContact O-N 3.18Å; L340-T344 PolarHBondContact O-OG1 3.08Å |
| 341 | T | 86.5 | Confident | 76.6 | Confident | 18 Ų | 18 | 78.2 Ų | 78.2 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69 | -39.4 | -179.8 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | L334 P335 H338 T339 T344 T345 | L334-T341 HydrophobicContact CB-CG2 4.02Å; L334-T341 WeakPolarHBondContact CB-OG1 3.48Å; P335-T341 WeakPolarHBondContact O-CB 3.26Å; P335-T341 PolarHBondContact O-OG1 2.93Å; H338-T341 WeakPolarHBondContact O-CB 3.32Å; H338-T341 PolarHBondContact O-N 3.49Å; T339-T341 VanDerWaalsContact C-N 3.28Å; T339-T341 PolarHBondContact O-N 3.05Å; T341-T344 VanDerWaalsContact CA-OG1 3.3Å; T341-T344 WeakPolarHBondContact CA-OG1 3.47Å; T341-T344 PolarHBondContact O-OG1 2.86Å; T341-T345 VanDerWaalsContact O-CB 3.27Å; T341-T345 WeakPolarHBondContact O-CB 3.31Å; T341-T345 PolarHBondContact O-N 3.41Å; T341-T345 PolarHBondContact O-OG1 2.8Å |
| 342 | N | 81.5 | Confident | 74.3 | Confident | 82 Ų | 82 | 80.5 Ų | 80.5 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 173.4 | -65.2 | -17.8 | 0 | 0 | 0 | 110.6 | H338 T339 T344 T345 E346 | H338-N342 PolarHBondContact O-N 3.06Å; T339-N342 PolarHBondContact O-N 3.01Å; N342-T344 PolarHBondContact O-N 3.4Å; N342-T345 PolarHBondContact O-N 2.73Å; N342-E346 WeakPolarHBondContact O-CB 3.29Å; N342-E346 VanDerWaalsContact O-CG 3.27Å; N342-E346 WeakPolarHBondContact O-CG 3Å; N342-E346 PolarHBondContact O-N 2.95Å |
| 343 | M | 78 | Confident | 71.9 | Confident | 100 Ų | 100 | 80.6 Ų | 80.6 | 49% | 0.493 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 178.6 | -69.7 | -172.2 | -63.6 | 0 | 0 | 113 | T339 L340 E346 R347 | T339-M343 HydrophobicContact CG2-CE 4.19Å; T339-M343 HydrophobicContact CG2-CG 4.48Å; T339-M343 HydrophobicContact CG2-SD 4.43Å; T339-M343 WeakPolarHBondContact O-CG 3.03Å; T339-M343 PolarHBondContact O-N 3.28Å; L340-M343 HydrophobicContact CB-CE 4.46Å; L340-M343 HydrophobicContact CD1-CE 4.14Å; L340-M343 PolarHBondContact O-N 3.17Å; M343-E346 PolarHBondContact O-N 2.92Å; M343-R347 VanDerWaalsContact O-CB 3.32Å; M343-R347 WeakPolarHBondContact O-CB 3.21Å; M343-R347 PolarHBondContact O-N 2.98Å |
| 344 | T | 75.8 | Confident | 69.5 | Low | 24 Ų | 24 | 82.8 Ų | 82.8 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 178.6 | 44.3 | 0 | 0 | 0 | 0 | 112.1 | F269 L340 T341 N342 E346 R347 T348 | F269-T344 HydrophobicContact CE2-CG2 3.39Å; F269-T344 HydrophobicContact CZ-CG2 3.79Å; L340-T344 HydrophobicContact CD1-CG2 4.32Å; L340-T344 HydrophobicContact CG-CG2 4.35Å; L340-T344 WeakPolarHBondContact O-CB 3.45Å; L340-T344 VanDerWaalsContact O-CG2 3.28Å; L340-T344 WeakPolarHBondContact O-CG2 3.16Å; L340-T344 PolarHBondContact O-N 3.18Å; L340-T344 PolarHBondContact O-OG1 3.08Å; T341-T344 VanDerWaalsContact CA-OG1 3.3Å; T341-T344 WeakPolarHBondContact CA-OG1 3.47Å; T341-T344 PolarHBondContact O-OG1 2.86Å; N342-T344 PolarHBondContact O-N 3.4Å; T344-E346 VanDerWaalsContact C-N 3.34Å; T344-R347 PolarHBondContact O-N 3.46Å; T344-T348 PolarHBondContact O-N 3.38Å; T344-T348 PolarHBondContact O-OG1 3.12Å |
| 345 | T | 71.2 | Confident | 67.4 | Low | 56 Ų | 56 | 88.2 Ų | 88.2 | 34% | 0.344 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 173.7 | -56.2 | 0 | 0 | 0 | 0 | 109.9 | T341 N342 R347 T348 L349 | T341-T345 VanDerWaalsContact O-CB 3.27Å; T341-T345 WeakPolarHBondContact O-CB 3.31Å; T341-T345 PolarHBondContact O-N 3.41Å; T341-T345 PolarHBondContact O-OG1 2.8Å; N342-T345 PolarHBondContact O-N 2.73Å; T345-R347 VanDerWaalsContact C-N 3.34Å; T345-R347 PolarHBondContact O-N 2.89Å; T345-T348 PolarHBondContact O-OG1 3.27Å; T345-L349 HydrophobicContact CG2-CD1 3.6Å; T345-L349 HydrophobicContact CG2-CG 4.5Å; T345-L349 VanDerWaalsContact O-CB 3.25Å; T345-L349 WeakPolarHBondContact O-CB 3.34Å; T345-L349 VanDerWaalsContact O-CD1 3.26Å; T345-L349 WeakPolarHBondContact O-CD1 3.48Å; T345-L349 WeakPolarHBondContact O-CG 3.48Å; T345-L349 PolarHBondContact O-N 2.96Å; T345-L349 VanDerWaalsContact O-N 3.11Å |
| 346 | E | 66.2 | Low | 65.1 | Low | 108 Ų | 108 | 89 Ų | 89 | 51% | 0.505 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 176 | -74.5 | 170.4 | -172.1 | 0 | 0 | 113 | N342 M343 T344 W350 | N342-E346 WeakPolarHBondContact O-CB 3.29Å; N342-E346 VanDerWaalsContact O-CG 3.27Å; N342-E346 WeakPolarHBondContact O-CG 3Å; N342-E346 PolarHBondContact O-N 2.95Å; M343-E346 PolarHBondContact O-N 2.92Å; T344-E346 VanDerWaalsContact C-N 3.34Å; E346-W350 PolarHBondContact O-N 3.49Å |
| 347 | R | 61.5 | Low | 63.1 | Low | 160 Ų | 160 | 82 Ų | 82 | 60% | 0.604 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -72.4 | -45.4 | -179.4 | -174 | 176.7 | -179.9 | 175.5 | 0.4 | 113.1 | M343 T344 T345 L349 W350 | M343-R347 VanDerWaalsContact O-CB 3.32Å; M343-R347 WeakPolarHBondContact O-CB 3.21Å; M343-R347 PolarHBondContact O-N 2.98Å; T344-R347 PolarHBondContact O-N 3.46Å; T345-R347 VanDerWaalsContact C-N 3.34Å; T345-R347 PolarHBondContact O-N 2.89Å; R347-L349 PolarHBondContact O-N 3.42Å; R347-W350 WeakPolarHBondContact O-CB 3.32Å; R347-W350 PolarHBondContact O-N 3.18Å |
| 348 | T | 59.2 | Low | 61.3 | Low | 106 Ų | 106 | 76.5 Ų | 76.5 | 65% | 0.65 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.2 | -29 | 176.6 | 35.4 | 0 | 0 | 0 | 0 | 112 | T344 T345 | T344-T348 PolarHBondContact O-N 3.38Å; T344-T348 PolarHBondContact O-OG1 3.12Å; T345-T348 PolarHBondContact O-OG1 3.27Å |
| 349 | L | 50.3 | Low | 59.5 | Low | 18 Ų | 18 | 75.6 Ų | 75.6 | 9% | 0.094 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -9.2 | 176.8 | -61.2 | 170.7 | 0 | 0 | 0 | 113.4 | T345 R347 L352 K353 F368 | T345-L349 HydrophobicContact CG2-CD1 3.6Å; T345-L349 HydrophobicContact CG2-CG 4.5Å; T345-L349 VanDerWaalsContact O-CB 3.25Å; T345-L349 WeakPolarHBondContact O-CB 3.34Å; T345-L349 VanDerWaalsContact O-CD1 3.26Å; T345-L349 WeakPolarHBondContact O-CD1 3.48Å; T345-L349 WeakPolarHBondContact O-CG 3.48Å; T345-L349 PolarHBondContact O-N 2.96Å; T345-L349 VanDerWaalsContact O-N 3.11Å; R347-L349 PolarHBondContact O-N 3.42Å; L349-L352 HydrophobicContact CD2-CD1 4.02Å; L349-L352 CarbonylContact O-C 3.12Å; L349-L352 WeakPolarHBondContact O-CA 3.22Å; L349-L352 WeakPolarHBondContact O-CB 3.28Å; L349-L352 PolarHBondContact O-N 2.63Å; L349-K353 WeakPolarHBondContact O-CG 3.47Å; L349-K353 PolarHBondContact O-N 2.92Å; L349-F368 HydrophobicContact CD1-CB 3.5Å; L349-F368 VanDerWaalsContact CD1-CB 3.5Å; L349-F368 HydrophobicContact CD1-CD2 3.86Å; L349-F368 HydrophobicContact CD1-CG 3.89Å; L349-F368 HydrophobicContact CD2-CB 3.6Å; L349-F368 HydrophobicContact CD2-CD1 4.17Å; L349-F368 HydrophobicContact CD2-CD2 4.44Å; L349-F368 HydrophobicContact CD2-CG 3.84Å; L349-F368 HydrophobicContact CG-CB 4.17Å; L349-F368 HydrophobicContact CG-CG 4.36Å |
| 350 | W | 44.5 | Very low | 57.2 | Low | 179 Ų | 179 | 77 Ų | 77 | 68% | 0.678 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -56.6 | -44.8 | -179.4 | 175.3 | -92.5 | 0 | 0 | 0 | 113.6 | E346 R347 L352 K353 G354 | E346-W350 PolarHBondContact O-N 3.49Å; R347-W350 WeakPolarHBondContact O-CB 3.32Å; R347-W350 PolarHBondContact O-N 3.18Å; W350-L352 PolarHBondContact O-N 3.45Å; W350-K353 WeakPolarHBondContact O-CA 3.5Å; W350-K353 WeakPolarHBondContact O-CB 3.32Å; W350-K353 PolarHBondContact O-N 3.43Å; W350-G354 PolarHBondContact O-N 3.42Å |
| 351 | P | 46.1 | Very low | 55.4 | Low | 94 Ų | 94 | 86.6 Ų | 86.6 | 61% | 0.61 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60 | -33.9 | 175.4 | -23 | 34.2 | 0 | 0 | 0 | 112.7 | ||
| 352 | L | 43.7 | Very low | 54.1 | Low | 101 Ų | 101 | 93 Ų | 93 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.4 | -30.9 | 174 | -62.4 | 173.1 | 0 | 0 | 0 | 112 | L349 W350 C356 F368 | L349-L352 HydrophobicContact CD2-CD1 4.02Å; L349-L352 CarbonylContact O-C 3.12Å; L349-L352 WeakPolarHBondContact O-CA 3.22Å; L349-L352 WeakPolarHBondContact O-CB 3.28Å; L349-L352 PolarHBondContact O-N 2.63Å; W350-L352 PolarHBondContact O-N 3.45Å; L352-C356 PolarHBondContact O-SG 3.02Å; L352-F368 HydrophobicContact CB-CE1 4.34Å |
| 353 | K | 42.1 | Very low | 52.9 | Low | 47 Ų | 47 | 92.2 Ų | 92.2 | 20% | 0.204 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -70 | -31.5 | 174.5 | -70.8 | 177.6 | 179.1 | -179.5 | 0 | 112.9 | L349 W350 N355 C356 G357 F368 | L349-K353 WeakPolarHBondContact O-CG 3.47Å; L349-K353 PolarHBondContact O-N 2.92Å; W350-K353 WeakPolarHBondContact O-CA 3.5Å; W350-K353 WeakPolarHBondContact O-CB 3.32Å; W350-K353 PolarHBondContact O-N 3.43Å; K353-N355 VanDerWaalsContact C-N 3.32Å; K353-N355 PolarHBondContact O-N 3.42Å; K353-C356 CarbonylContact O-C 3.5Å; K353-C356 PolarHBondContact O-N 2.98Å; K353-G357 PolarHBondContact O-N 3.36Å; K353-F368 HydrophobicContact CG-CE2 4.39Å |
| 354 | G | 42 | Very low | 52.2 | Low | 52 Ų | 52 | 90.5 Ų | 90.5 | 54% | 0.536 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.8 | -39.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W350 C356 | W350-G354 PolarHBondContact O-N 3.42Å; G354-C356 PolarHBondContact O-N 3.2Å |
| 355 | N | 46.7 | Very low | 51.3 | Low | 157 Ų | 157 | 96.7 Ų | 96.7 | 84% | 0.84 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -10.1 | 175 | -77.3 | -5.9 | 0 | 0 | 0 | 113.8 | K353 | K353-N355 VanDerWaalsContact C-N 3.32Å; K353-N355 PolarHBondContact O-N 3.42Å |
| 356 | C | 43.4 | Very low | 51 | Low | 25 Ų | 25 | 98.2 Ų | 98.2 | 17% | 0.169 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 10.8 | -178.5 | -54.8 | 0 | 0 | 0 | 0 | 113.4 | L352 K353 G354 S358 A359 W366 | L352-C356 PolarHBondContact O-SG 3.02Å; K353-C356 CarbonylContact O-C 3.5Å; K353-C356 PolarHBondContact O-N 2.98Å; G354-C356 PolarHBondContact O-N 3.2Å; C356-S358 PolarHBondContact O-N 2.76Å; C356-A359 WeakPolarHBondContact O-CB 3.37Å; C356-A359 PolarHBondContact O-N 3.32Å; C356-W366 HydrophobicContact CB-CZ2 4.28Å |
| 357 | G | 42.4 | Very low | 50.8 | Low | 42 Ų | 42 | 100.4 Ų | 100.4 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K353 | K353-G357 PolarHBondContact O-N 3.36Š|
| 358 | S | 47 | Very low | 50.8 | Low | 82 Ų | 82 | 95.9 Ų | 95.9 | 57% | 0.573 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -29.7 | 173.5 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | C356 R361 H362 | C356-S358 PolarHBondContact O-N 2.76Å; S358-R361 PolarHBondContact O-N 3.32Å; S358-H362 PolarHBondContact O-ND1 3.12Å; S358-H362 VanDerWaalsContact O-ND1 3.09Å |
| 359 | A | 47.3 | Very low | 50.9 | Low | 22 Ų | 22 | 92.8 Ų | 92.8 | 18% | 0.182 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -29.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | C356 R361 H362 V364 W366 | C356-A359 WeakPolarHBondContact O-CB 3.37Å; C356-A359 PolarHBondContact O-N 3.32Å; A359-R361 VanDerWaalsContact C-N 3.26Å; A359-R361 PolarHBondContact O-N 3.41Å; A359-H362 PolarHBondContact O-N 3.18Å; A359-V364 HydrophobicContact CB-CB 4.46Å; A359-V364 HydrophobicContact CB-CG2 4.48Å; A359-W366 HydrophobicContact CB-CZ2 4.22Å |
| 360 | W | 41 | Very low | 51.3 | Low | 126 Ų | 126 | 94.5 Ų | 94.5 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -63.2 | -30.9 | 177 | -76.8 | 90.7 | 0 | 0 | 0 | 113.1 | H362 G363 W366 | W360-H362 PolarHBondContact O-N 2.93Å; W360-H362 VanDerWaalsContact O-N 3.12Å; W360-G363 PolarHBondContact O-N 3.3Å; W360-W366 AromaticContact NE1-CD1 3.92Å |
| 361 | R | 46.2 | Very low | 51.9 | Low | 219 Ų | 219 | 92.3 Ų | 92.3 | 83% | 0.826 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -63.6 | -17.2 | 175.4 | -58.8 | -171.5 | -150 | -159.9 | 6.3 | 112.9 | S358 A359 | S358-R361 PolarHBondContact O-N 3.32Å; A359-R361 VanDerWaalsContact C-N 3.26Å; A359-R361 PolarHBondContact O-N 3.41Å |
| 362 | H | 59.4 | Low | 52.4 | Low | 154 Ų | 154 | 92.3 Ų | 92.3 | 71% | 0.713 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -103.8 | 14.2 | -178.7 | -60 | 89 | 0 | 0 | 0 | 112.9 | S358 A359 W360 V364 | S358-H362 PolarHBondContact O-ND1 3.12Å; S358-H362 VanDerWaalsContact O-ND1 3.09Å; A359-H362 PolarHBondContact O-N 3.18Å; W360-H362 PolarHBondContact O-N 2.93Å; W360-H362 VanDerWaalsContact O-N 3.12Å; H362-V364 VanDerWaalsContact C-N 3.3Å; H362-V364 HydrophobicContact CB-CG2 4.38Å; H362-V364 PolarHBondContact O-N 3.38Å |
| 363 | G | 57.4 | Low | 53.3 | Low | 65 Ų | 65 | 88 Ų | 88 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 17.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115 | W360 Q365 | W360-G363 PolarHBondContact O-N 3.3Å; G363-Q365 PolarHBondContact O-N 3.49Å |
| 364 | V | 63.6 | Low | 54.2 | Low | 63 Ų | 63 | 89.2 Ų | 89.2 | 38% | 0.382 | 50% | 0.504 | S | S | . | . | trans | -73.6 | 117.8 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | A359 H362 W366 | A359-V364 HydrophobicContact CB-CB 4.46Å; A359-V364 HydrophobicContact CB-CG2 4.48Å; H362-V364 VanDerWaalsContact C-N 3.3Å; H362-V364 HydrophobicContact CB-CG2 4.38Å; H362-V364 PolarHBondContact O-N 3.38Å; V364-W366 HydrophobicContact CG1-CZ2 4.42Å | ||
| 365 | Q | 56.4 | Low | 55.1 | Low | 155 Ų | 155 | 92.6 Ų | 92.6 | 72% | 0.724 | 51% | 0.505 | S | S | * | . | trans | -88.1 | 106.2 | 175.9 | -69.3 | -172.9 | -8.5 | 0 | 0 | 111.7 | G363 H367 | G363-Q365 PolarHBondContact O-N 3.49Å; Q365-H367 PolarHBondContact O-ND1 3.4Å | ||
| 366 | W | 63.9 | Low | 55.8 | Low | 87 Ų | 87 | 90 Ų | 90 | 33% | 0.33 | 49% | 0.486 | S | S | . | . | trans | -83 | 124.8 | 177.5 | -67.5 | 88.2 | 0 | 0 | 0 | 112.1 | C356 A359 W360 V364 F368 | C356-W366 HydrophobicContact CB-CZ2 4.28Å; A359-W366 HydrophobicContact CB-CZ2 4.22Å; W360-W366 AromaticContact NE1-CD1 3.92Å; V364-W366 HydrophobicContact CG1-CZ2 4.42Å; W366-F368 HydrophobicContact CB-CD2 4.11Å; W366-F368 HydrophobicContact CB-CE2 3.4Å; W366-F368 VanDerWaalsContact CB-CE2 3.4Å; W366-F368 HydrophobicContact CB-CZ 3.86Å; W366-F368 HydrophobicContact CD2-CZ 4.28Å; W366-F368 HydrophobicContact CE3-CE1 4.44Å; W366-F368 HydrophobicContact CE3-CZ 4.11Å; W366-F368 HydrophobicContact CG-CE2 4.19Å; W366-F368 HydrophobicContact CG-CZ 4.21Å | ||
| 367 | H | 61.9 | Low | 56.8 | Low | 155 Ų | 155 | 89.1 Ų | 89.1 | 72% | 0.718 | 48% | 0.482 | S | S | * | . | trans | -111.3 | 106.2 | 174.2 | -66.3 | 79.5 | 0 | 0 | 0 | 109 | Q365 | Q365-H367 PolarHBondContact O-ND1 3.4Š| ||
| 368 | F | 62.6 | Low | 58.2 | Low | 65 Ų | 65 | 89.5 Ų | 89.5 | 29% | 0.285 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 139.2 | 179.6 | -62.9 | -86.6 | 0 | 0 | 0 | 110.7 | L349 L352 K353 W366 | L349-F368 HydrophobicContact CD1-CB 3.5Å; L349-F368 VanDerWaalsContact CD1-CB 3.5Å; L349-F368 HydrophobicContact CD1-CD2 3.86Å; L349-F368 HydrophobicContact CD1-CG 3.89Å; L349-F368 HydrophobicContact CD2-CB 3.6Å; L349-F368 HydrophobicContact CD2-CD1 4.17Å; L349-F368 HydrophobicContact CD2-CD2 4.44Å; L349-F368 HydrophobicContact CD2-CG 3.84Å; L349-F368 HydrophobicContact CG-CB 4.17Å; L349-F368 HydrophobicContact CG-CG 4.36Å; L352-F368 HydrophobicContact CB-CE1 4.34Å; K353-F368 HydrophobicContact CG-CE2 4.39Å; W366-F368 HydrophobicContact CB-CD2 4.11Å; W366-F368 HydrophobicContact CB-CE2 3.4Å; W366-F368 VanDerWaalsContact CB-CE2 3.4Å; W366-F368 HydrophobicContact CB-CZ 3.86Å; W366-F368 HydrophobicContact CD2-CZ 4.28Å; W366-F368 HydrophobicContact CE3-CE1 4.44Å; W366-F368 HydrophobicContact CE3-CZ 4.11Å; W366-F368 HydrophobicContact CG-CE2 4.19Å; W366-F368 HydrophobicContact CG-CZ 4.21Å |
| 369 | S | 60.6 | Low | 59.5 | Low | 40 Ų | 40 | 91.1 Ų | 91.1 | 28% | 0.28 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 139.4 | 166.3 | -63.1 | 0 | 0 | 0 | 0 | 109.5 | W380 | S369-W380 VanDerWaalsContact OG-CZ2 3.3Å; S369-W380 WeakPolarHBondContact OG-CZ2 3.19Å |
| 370 | P | 59.8 | Low | 60.7 | Low | 55 Ų | 55 | 95.5 Ų | 95.5 | 36% | 0.357 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 140.7 | 170.5 | -19 | 28 | 0 | 0 | 0 | 110.2 | S372 A373 | P370-S372 PolarHBondContact O-N 3.07Å; P370-A373 HydrophobicContact CB-CB 3.84Å; P370-A373 HydrophobicContact CG-CB 3.88Å; P370-A373 PolarHBondContact O-N 3.15Å |
| 371 | P | 56.6 | Low | 62.6 | Low | 132 Ų | 132 | 93.2 Ų | 93.2 | 86% | 0.857 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -33.6 | -179.9 | -26.6 | 32.8 | 0 | 0 | 0 | 113.3 | ||
| 372 | S | 56.1 | Low | 64.2 | Low | 95 Ų | 95 | 92 Ų | 92 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 4.7 | -177.4 | -48.5 | 0 | 0 | 0 | 0 | 114.6 | P370 P374 | P370-S372 PolarHBondContact O-N 3.07Å; S372-P374 VanDerWaalsContact C-CD 3.47Å; S372-P374 WeakPolarHBondContact O-CD 3.48Å |
| 373 | A | 63.4 | Low | 65.3 | Low | 11 Ų | 11 | 86.8 Ų | 86.8 | 9% | 0.091 | 47% | 0.47 | C | S | . | . | trans | -126.9 | 64.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P370 H375 F376 | P370-A373 HydrophobicContact CB-CB 3.84Å; P370-A373 HydrophobicContact CG-CB 3.88Å; P370-A373 PolarHBondContact O-N 3.15Å; A373-H375 PolarHBondContact O-N 3.04Å; A373-H375 VanDerWaalsContact O-N 3.14Å; A373-F376 HydrophobicContact CB-CD2 3.66Å; A373-F376 HydrophobicContact CB-CE2 4.05Å; A373-F376 PolarHBondContact O-N 3.25Å; A373-F376 VanDerWaalsContact O-N 3.14Å | ||
| 374 | P | 59.7 | Low | 66.6 | Low | 72 Ų | 72 | 87.6 Ų | 87.6 | 47% | 0.468 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -60.9 | -26.9 | -177 | 23.7 | -33.6 | 0 | 0 | 0 | 113.7 | S372 F376 G377 W380 | S372-P374 VanDerWaalsContact C-CD 3.47Å; S372-P374 WeakPolarHBondContact O-CD 3.48Å; P374-F376 PolarHBondContact O-N 3.18Å; P374-G377 PolarHBondContact O-N 2.82Å; P374-W380 PolarHBondContact O-NE1 2.92Å |
| 375 | H | 62 | Low | 67.6 | Low | 123 Ų | 123 | 93.1 Ų | 93.1 | 57% | 0.569 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -62.2 | -12 | 178.1 | 66.7 | -86.4 | 0 | 0 | 0 | 114.1 | A373 G377 | A373-H375 PolarHBondContact O-N 3.04Å; A373-H375 VanDerWaalsContact O-N 3.14Å; H375-G377 PolarHBondContact O-N 3.46Å |
| 376 | F | 60.7 | Low | 69 | Low | 101 Ų | 101 | 87.2 Ų | 87.2 | 44% | 0.443 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -73.3 | -5.9 | 175.8 | -88 | -101 | 0 | 0 | 0 | 114.5 | A373 P374 | A373-F376 HydrophobicContact CB-CD2 3.66Å; A373-F376 HydrophobicContact CB-CE2 4.05Å; A373-F376 PolarHBondContact O-N 3.25Å; A373-F376 VanDerWaalsContact O-N 3.14Å; P374-F376 PolarHBondContact O-N 3.18Å |
| 377 | G | 65.6 | Low | 70.1 | Confident | 8 Ų | 8 | 83.5 Ų | 83.5 | 8% | 0.082 | 44% | 0.436 | C | S | . | . | trans | -142 | 105 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116 | P374 H375 V379 W380 E381 | P374-G377 PolarHBondContact O-N 2.82Å; H375-G377 PolarHBondContact O-N 3.46Å; G377-V379 PolarHBondContact O-N 3.46Å; G377-W380 PolarHBondContact O-N 2.88Å; G377-W380 PolarHBondContact O-NE1 2.83Å; G377-E381 PolarHBondContact O-N 3.44Å | ||
| 378 | G | 71.9 | Confident | 71.4 | Confident | 49 Ų | 49 | 82.8 Ų | 82.8 | 51% | 0.505 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.6 | -22.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | R382 | G378-R382 VanDerWaalsContact O-CB 3.25Å; G378-R382 WeakPolarHBondContact O-CB 3.4Å; G378-R382 PolarHBondContact O-N 2.83Å |
| 379 | V | 72.8 | Confident | 72.6 | Confident | 116 Ų | 116 | 82.6 Ų | 82.6 | 70% | 0.703 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.5 | -51.8 | 179.4 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | G377 R382 M383 | G377-V379 PolarHBondContact O-N 3.46Å; V379-R382 PolarHBondContact O-N 2.95Å; V379-M383 PolarHBondContact O-N 2.89Å |
| 380 | W | 73.6 | Confident | 74 | Confident | 114 Ų | 114 | 81.3 Ų | 81.3 | 43% | 0.432 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.1 | -35.2 | 176.5 | 31.5 | 91.1 | 0 | 0 | 0 | 112.1 | S369 P374 G377 R382 M383 I384 | S369-W380 VanDerWaalsContact OG-CZ2 3.3Å; S369-W380 WeakPolarHBondContact OG-CZ2 3.19Å; P374-W380 PolarHBondContact O-NE1 2.92Å; G377-W380 PolarHBondContact O-N 2.88Å; G377-W380 PolarHBondContact O-NE1 2.83Å; W380-R382 VanDerWaalsContact C-N 3.31Å; W380-R382 PolarHBondContact O-N 2.85Å; W380-M383 WeakPolarHBondContact O-CB 3.4Å; W380-M383 PolarHBondContact O-N 3.13Å; W380-I384 WeakPolarHBondContact O-CB 3.04Å; W380-I384 VanDerWaalsContact O-CG1 3.28Å; W380-I384 WeakPolarHBondContact O-CG1 3.49Å; W380-I384 PolarHBondContact O-N 3.41Å |
| 381 | E | 80.4 | Confident | 75.4 | Confident | 78 Ų | 78 | 79.3 Ų | 79.3 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 173.2 | -72.6 | -165 | 160.3 | 0 | 0 | 112.5 | G377 M383 R385 | G377-E381 PolarHBondContact O-N 3.44Å; E381-M383 VanDerWaalsContact C-N 3.33Å; E381-R385 VanDerWaalsContact O-CB 3.26Å; E381-R385 WeakPolarHBondContact O-CB 3.38Å; E381-R385 PolarHBondContact O-N 2.55Å |
| 382 | R | 80.4 | Confident | 76.9 | Confident | 193 Ų | 193 | 80.1 Ų | 80.1 | 73% | 0.728 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.5 | -35.9 | 175.9 | -166.4 | 167.7 | -167.4 | 155.7 | 1.8 | 111.7 | G378 V379 W380 S386 | G378-R382 VanDerWaalsContact O-CB 3.25Å; G378-R382 WeakPolarHBondContact O-CB 3.4Å; G378-R382 PolarHBondContact O-N 2.83Å; V379-R382 PolarHBondContact O-N 2.95Å; W380-R382 VanDerWaalsContact C-N 3.31Å; W380-R382 PolarHBondContact O-N 2.85Å; R382-S386 WeakPolarHBondContact O-CB 3.34Å; R382-S386 PolarHBondContact O-N 2.68Å; R382-S386 PolarHBondContact O-OG 3.46Å |
| 383 | M | 82 | Confident | 78.4 | Confident | 46 Ų | 46 | 82.7 Ų | 82.7 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.9 | -50.1 | 174 | -170.8 | 173.2 | 71.9 | 0 | 0 | 111.5 | V379 W380 E381 R385 S386 A387 L416 R419 | V379-M383 PolarHBondContact O-N 2.89Å; W380-M383 WeakPolarHBondContact O-CB 3.4Å; W380-M383 PolarHBondContact O-N 3.13Å; E381-M383 VanDerWaalsContact C-N 3.33Å; M383-R385 VanDerWaalsContact C-N 3.3Å; M383-R385 PolarHBondContact O-N 3.29Å; M383-S386 WeakPolarHBondContact O-CB 3.33Å; M383-S386 PolarHBondContact O-N 3.24Å; M383-S386 VanDerWaalsContact O-N 3.1Å; M383-A387 PolarHBondContact O-N 3.29Å; M383-L416 HydrophobicContact CE-CB 4.41Å; M383-L416 HydrophobicContact CE-CD1 4.49Å; M383-L416 HydrophobicContact CG-CD1 4.26Å; M383-L416 HydrophobicContact CG-CD2 3.92Å; M383-L416 HydrophobicContact SD-CB 4.28Å; M383-L416 HydrophobicContact SD-CD2 4.18Å; M383-R419 PolarHBondContact SD-NH1 3.31Å |
| 384 | I | 85 | Confident | 79.6 | Confident | 82 Ų | 82 | 82.4 Ų | 82.4 | 42% | 0.421 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 176.1 | -68 | 165.7 | 0 | 0 | 0 | 110.6 | W380 S386 A387 K388 | W380-I384 WeakPolarHBondContact O-CB 3.04Å; W380-I384 VanDerWaalsContact O-CG1 3.28Å; W380-I384 WeakPolarHBondContact O-CG1 3.49Å; W380-I384 PolarHBondContact O-N 3.41Å; I384-S386 VanDerWaalsContact C-N 3.32Å; I384-S386 PolarHBondContact O-N 3.33Å; I384-A387 PolarHBondContact O-N 3.23Å; I384-K388 HydrophobicContact CG2-CD 4Å; I384-K388 HydrophobicContact CG2-CG 4.37Å; I384-K388 WeakPolarHBondContact O-CB 3.45Å; I384-K388 VanDerWaalsContact O-CG 3.32Å; I384-K388 WeakPolarHBondContact O-CG 3.1Å; I384-K388 PolarHBondContact O-N 3.21Å |
| 385 | R | 84.1 | Confident | 80.8 | Confident | 178 Ų | 178 | 80.6 Ų | 80.6 | 67% | 0.672 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.3 | -42.9 | 175.7 | -172.8 | -175 | -57.8 | -147.7 | 1.3 | 111.7 | E381 M383 K388 A389 | E381-R385 VanDerWaalsContact O-CB 3.26Å; E381-R385 WeakPolarHBondContact O-CB 3.38Å; E381-R385 PolarHBondContact O-N 2.55Å; M383-R385 VanDerWaalsContact C-N 3.3Å; M383-R385 PolarHBondContact O-N 3.29Å; R385-K388 PolarHBondContact O-N 3.09Å; R385-A389 WeakPolarHBondContact O-CB 3.4Å; R385-A389 PolarHBondContact O-N 3.15Å |
| 386 | S | 85.1 | Confident | 81.8 | Confident | 31 Ų | 31 | 80.8 Ų | 80.8 | 22% | 0.217 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 178.2 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | R382 M383 I384 A389 A390 | R382-S386 WeakPolarHBondContact O-CB 3.34Å; R382-S386 PolarHBondContact O-N 2.68Å; R382-S386 PolarHBondContact O-OG 3.46Å; M383-S386 WeakPolarHBondContact O-CB 3.33Å; M383-S386 PolarHBondContact O-N 3.24Å; M383-S386 VanDerWaalsContact O-N 3.1Å; I384-S386 VanDerWaalsContact C-N 3.32Å; I384-S386 PolarHBondContact O-N 3.33Å; S386-A389 PolarHBondContact O-N 2.88Å; S386-A390 WeakPolarHBondContact O-CB 3.37Å; S386-A390 PolarHBondContact O-N 3.47Å |
| 387 | A | 88.3 | Confident | 82.7 | Confident | 9 Ų | 9 | 79.9 Ų | 79.9 | 7% | 0.074 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M383 I384 A389 A390 L391 V412 L416 F474 | M383-A387 PolarHBondContact O-N 3.29Å; I384-A387 PolarHBondContact O-N 3.23Å; A387-A389 PolarHBondContact O-N 3.08Å; A387-A390 PolarHBondContact O-N 3.38Å; A387-L391 WeakPolarHBondContact O-CB 3.38Å; A387-L391 WeakPolarHBondContact O-CG 3.34Å; A387-L391 PolarHBondContact O-N 3.26Å; A387-V412 HydrophobicContact CB-CG1 4.38Å; A387-L416 HydrophobicContact CB-CD1 4.04Å; A387-F474 HydrophobicContact CB-CE2 4.08Å; A387-F474 HydrophobicContact CB-CZ 3.99Å |
| 388 | K | 89.2 | Confident | 83.4 | Confident | 141 Ų | 141 | 85.9 Ų | 85.9 | 61% | 0.613 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.8 | -44.5 | 175.1 | -75.9 | 177 | 177.6 | -178.1 | 0 | 112.3 | I384 R385 L391 H392 | I384-K388 HydrophobicContact CG2-CD 4Å; I384-K388 HydrophobicContact CG2-CG 4.37Å; I384-K388 WeakPolarHBondContact O-CB 3.45Å; I384-K388 VanDerWaalsContact O-CG 3.32Å; I384-K388 WeakPolarHBondContact O-CG 3.1Å; I384-K388 PolarHBondContact O-N 3.21Å; R385-K388 PolarHBondContact O-N 3.09Å; K388-L391 PolarHBondContact O-N 3.05Å; K388-H392 VanDerWaalsContact O-CB 3.29Å; K388-H392 WeakPolarHBondContact O-CB 3.44Å; K388-H392 PolarHBondContact O-N 3.3Å |
| 389 | A | 88.1 | Confident | 83.6 | Confident | 60 Ų | 60 | 88.7 Ų | 88.7 | 50% | 0.496 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R385 S386 A387 K393 | R385-A389 WeakPolarHBondContact O-CB 3.4Å; R385-A389 PolarHBondContact O-N 3.15Å; S386-A389 PolarHBondContact O-N 2.88Å; A387-A389 PolarHBondContact O-N 3.08Å; A389-K393 PolarHBondContact O-N 2.83Å; A389-K393 VanDerWaalsContact O-N 3.17Å |
| 390 | A | 88.8 | Confident | 84.1 | Confident | 14 Ų | 14 | 85.3 Ų | 85.3 | 12% | 0.116 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.1 | -49.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S386 A387 H392 K393 I394 F474 M478 | S386-A390 WeakPolarHBondContact O-CB 3.37Å; S386-A390 PolarHBondContact O-N 3.47Å; A387-A390 PolarHBondContact O-N 3.38Å; A390-H392 PolarHBondContact O-N 2.93Å; A390-K393 PolarHBondContact O-N 3.48Å; A390-K393 VanDerWaalsContact O-N 3.14Å; A390-I394 WeakPolarHBondContact O-CD1 3.37Å; A390-I394 VanDerWaalsContact O-CG1 3.26Å; A390-I394 WeakPolarHBondContact O-CG1 3.21Å; A390-I394 PolarHBondContact O-N 3.17Å; A390-F474 HydrophobicContact CB-CD2 3.87Å; A390-F474 HydrophobicContact CB-CE2 3.78Å; A390-M478 HydrophobicContact CB-CG 4.37Å; A390-M478 HydrophobicContact CB-SD 4.38Å |
| 391 | L | 90.2 | Very high | 84.7 | Confident | 12 Ų | 12 | 81.9 Ų | 81.9 | 6% | 0.063 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 177.8 | -74.6 | 173.4 | 0 | 0 | 0 | 112.1 | A387 K388 K393 I394 L395 V408 F409 V412 I470 F474 | A387-L391 WeakPolarHBondContact O-CB 3.38Å; A387-L391 WeakPolarHBondContact O-CG 3.34Å; A387-L391 PolarHBondContact O-N 3.26Å; K388-L391 PolarHBondContact O-N 3.05Å; L391-K393 VanDerWaalsContact C-N 3.26Å; L391-K393 PolarHBondContact O-N 3.38Å; L391-I394 PolarHBondContact O-N 2.78Å; L391-I394 VanDerWaalsContact O-N 3.13Å; L391-L395 WeakPolarHBondContact O-CB 3.45Å; L391-L395 WeakPolarHBondContact O-CG 3.47Å; L391-L395 PolarHBondContact O-N 2.97Å; L391-V408 HydrophobicContact CD2-CG1 3.77Å; L391-F409 HydrophobicContact CD1-CD1 3.99Å; L391-F409 HydrophobicContact CD1-CE1 3.72Å; L391-V412 HydrophobicContact CD2-CG2 4.27Å; L391-I470 HydrophobicContact CD2-CG2 4.1Å; L391-F474 HydrophobicContact CD2-CD2 3.98Å; L391-F474 HydrophobicContact CG-CD2 3.98Å; L391-F474 HydrophobicContact CG-CE2 4.14Å |
| 392 | H | 88.6 | Confident | 85 | Confident | 149 Ų | 149 | 84.5 Ų | 84.5 | 69% | 0.69 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -58.5 | -39.4 | 176.1 | -170.3 | -75.1 | 0 | 0 | 0 | 111.9 | K388 A390 N396 | K388-H392 VanDerWaalsContact O-CB 3.29Å; K388-H392 WeakPolarHBondContact O-CB 3.44Å; K388-H392 PolarHBondContact O-N 3.3Å; A390-H392 PolarHBondContact O-N 2.93Å; H392-N396 PolarHBondContact O-N 3.38Å |
| 393 | K | 87.4 | Confident | 85.4 | Confident | 149 Ų | 149 | 80.3 Ų | 80.3 | 65% | 0.648 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -73.8 | -30.2 | 176.9 | -171.1 | 175.9 | -179.2 | -178.2 | 0 | 113.2 | A389 A390 L391 | A389-K393 PolarHBondContact O-N 2.83Å; A389-K393 VanDerWaalsContact O-N 3.17Å; A390-K393 PolarHBondContact O-N 3.48Å; A390-K393 VanDerWaalsContact O-N 3.14Å; L391-K393 VanDerWaalsContact C-N 3.26Å; L391-K393 PolarHBondContact O-N 3.38Å |
| 394 | I | 86.9 | Confident | 85.6 | Confident | 6 Ų | 6 | 78.6 Ų | 78.6 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -74.9 | -45.1 | 177.6 | -66 | 157.2 | 0 | 0 | 0 | 110.4 | A390 L391 I470 F474 K477 | A390-I394 WeakPolarHBondContact O-CD1 3.37Å; A390-I394 VanDerWaalsContact O-CG1 3.26Å; A390-I394 WeakPolarHBondContact O-CG1 3.21Å; A390-I394 PolarHBondContact O-N 3.17Å; L391-I394 PolarHBondContact O-N 2.78Å; L391-I394 VanDerWaalsContact O-N 3.13Å; I394-I470 HydrophobicContact CG2-CG1 4.5Å; I394-I470 HydrophobicContact CG2-CG2 4.05Å; I394-F474 VanDerWaalsContact CD1-CA 3.44Å; I394-F474 HydrophobicContact CD1-CB 3.7Å; I394-F474 HydrophobicContact CD1-CD2 4.12Å; I394-F474 HydrophobicContact CD1-CG 4.41Å; I394-K477 HydrophobicContact CD1-CD 4.15Å; I394-K477 HydrophobicContact CG1-CD 3.67Å |
| 395 | L | 86.3 | Confident | 85.8 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 17% | 0.173 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.6 | -39.8 | 179.2 | -64.1 | 174.9 | 0 | 0 | 0 | 110.9 | L391 G397 R398 T400 L405 I470 | L391-L395 WeakPolarHBondContact O-CB 3.45Å; L391-L395 WeakPolarHBondContact O-CG 3.47Å; L391-L395 PolarHBondContact O-N 2.97Å; L395-G397 PolarHBondContact O-N 2.84Å; L395-R398 WeakPolarHBondContact O-CB 3.21Å; L395-R398 WeakPolarHBondContact O-CG 3.26Å; L395-R398 PolarHBondContact O-N 2.85Å; L395-T400 HydrophobicContact CD2-CG2 3.58Å; L395-L405 HydrophobicContact CD1-CD1 4.38Å; L395-I470 HydrophobicContact CD2-CD1 4.05Å |
| 396 | N | 82.9 | Confident | 86.2 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 68% | 0.679 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.9 | 45.7 | 174.2 | -162.3 | 40.7 | 0 | 0 | 0 | 114.5 | H392 R398 | H392-N396 PolarHBondContact O-N 3.38Å; N396-R398 PolarHBondContact O-N 2.73Å |
| 397 | G | 79.2 | Confident | 86.4 | Confident | 82 Ų | 82 | 74.9 Ų | 74.9 | 85% | 0.845 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 1.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | L395 | L395-G397 PolarHBondContact O-N 2.84Š|
| 398 | R | 79.8 | Confident | 86.4 | Confident | 134 Ų | 134 | 74.5 Ų | 74.5 | 51% | 0.506 | 42% | 0.417 | S | S | . | . | trans | -67.4 | 135.7 | 173.5 | -64.5 | 170.6 | -178.5 | 176.5 | 0.4 | 110.2 | L395 N396 T400 I458 | L395-R398 WeakPolarHBondContact O-CB 3.21Å; L395-R398 WeakPolarHBondContact O-CG 3.26Å; L395-R398 PolarHBondContact O-N 2.85Å; N396-R398 PolarHBondContact O-N 2.73Å; R398-T400 PolarHBondContact O-N 3.34Å; R398-I458 VanDerWaalsContact NH1-CD1 3.27Å; R398-I458 VanDerWaalsContact NH1-CG2 3.29Å | ||
| 399 | A | 77.7 | Confident | 86.5 | Confident | 109 Ų | 109 | 72.7 Ų | 72.7 | 90% | 0.901 | 41% | 0.409 | S | S | * | . | trans | -74.9 | 121.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 400 | T | 83.6 | Confident | 86.5 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 27% | 0.27 | 41% | 0.41 | S | S | . | . | trans | -116.4 | 143.5 | 172.6 | 51.5 | 0 | 0 | 0 | 0 | 109.4 | L395 R398 I470 | L395-T400 HydrophobicContact CD2-CG2 3.58Å; R398-T400 PolarHBondContact O-N 3.34Å; T400-I470 HydrophobicContact CG2-CD1 4.16Å | ||
| 401 | S | 85.3 | Confident | 86.4 | Confident | 42 Ų | 42 | 75.4 Ų | 75.4 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | trans | -72.4 | 154.6 | 174.1 | 79.7 | 0 | 0 | 0 | 0 | 111.2 | E403 V404 L405 | S401-E403 VanDerWaalsContact CB-OE2 3.22Å; S401-E403 WeakPolarHBondContact CB-OE2 3.44Å; S401-E403 PolarHBondContact O-N 3.44Å; S401-E403 PolarHBondContact OG-OE2 3.13Å; S401-V404 PolarHBondContact O-N 2.86Å; S401-V404 VanDerWaalsContact O-N 3.13Å; S401-V404 WeakPolarHBondContact OG-CG2 3.45Å; S401-V404 PolarHBondContact OG-N 3.48Å; S401-L405 PolarHBondContact O-N 2.82Å | ||
| 402 | D | 86.8 | Confident | 86.4 | Confident | 133 Ų | 133 | 75.1 Ų | 75.1 | 71% | 0.711 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -57.9 | -35.7 | -179.9 | -68.4 | -8.7 | 0 | 0 | 0 | 111.9 | L405 L406 | D402-L405 PolarHBondContact O-N 2.87Å; D402-L406 WeakPolarHBondContact O-CB 3.47Å; D402-L406 PolarHBondContact O-N 3.46Å |
| 403 | E | 87.9 | Confident | 86.3 | Confident | 106 Ų | 106 | 73.5 Ų | 73.5 | 50% | 0.495 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 178.5 | -47.2 | 86.3 | -176.2 | 0 | 0 | 112 | S401 L405 L406 T407 K463 | S401-E403 VanDerWaalsContact CB-OE2 3.22Å; S401-E403 WeakPolarHBondContact CB-OE2 3.44Å; S401-E403 PolarHBondContact O-N 3.44Å; S401-E403 PolarHBondContact OG-OE2 3.13Å; E403-L405 VanDerWaalsContact C-N 3.33Å; E403-L406 PolarHBondContact O-N 2.89Å; E403-T407 PolarHBondContact O-N 3.37Å; E403-T407 VanDerWaalsContact O-N 3.08Å; E403-T407 PolarHBondContact O-OG1 3.37Å; E403-T407 VanDerWaalsContact O-OG1 3.12Å; E403-K463 IonicContact OE1-NZ 3.1Å; E403-K463 IonicContact OE2-NZ 3.94Å; E403-K463 PolarHBondContact OE2-NZ 2.78Å |
| 404 | V | 87.5 | Confident | 86.3 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.055 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 109.7 | S401 L406 T407 V408 K463 A466 A467 I470 | S401-V404 PolarHBondContact O-N 2.86Å; S401-V404 VanDerWaalsContact O-N 3.13Å; S401-V404 WeakPolarHBondContact OG-CG2 3.45Å; S401-V404 PolarHBondContact OG-N 3.48Å; V404-L406 PolarHBondContact O-N 3.5Å; V404-T407 PolarHBondContact O-N 3.14Å; V404-V408 HydrophobicContact CG1-CG2 4.39Å; V404-V408 WeakPolarHBondContact O-CB 3.25Å; V404-V408 VanDerWaalsContact O-CG2 3.23Å; V404-V408 WeakPolarHBondContact O-CG2 3.39Å; V404-V408 PolarHBondContact O-N 2.99Å; V404-K463 HydrophobicContact CG2-CB 3.76Å; V404-K463 HydrophobicContact CG2-CD 4.23Å; V404-K463 HydrophobicContact CG2-CG 3.97Å; V404-A466 HydrophobicContact CG1-CB 4.41Å; V404-A467 HydrophobicContact CG1-CB 4.21Å; V404-I470 HydrophobicContact CG1-CD1 4.17Å |
| 405 | L | 89.6 | Confident | 86.3 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 179.9 | -175.4 | 63 | 0 | 0 | 0 | 112.1 | L395 S401 D402 E403 V408 F409 | L395-L405 HydrophobicContact CD1-CD1 4.38Å; S401-L405 PolarHBondContact O-N 2.82Å; D402-L405 PolarHBondContact O-N 2.87Å; E403-L405 VanDerWaalsContact C-N 3.33Å; L405-V408 PolarHBondContact O-N 3.35Å; L405-F409 HydrophobicContact CD1-CE1 4.21Å; L405-F409 HydrophobicContact CD1-CE2 3.91Å; L405-F409 HydrophobicContact CD1-CZ 3.73Å; L405-F409 HydrophobicContact CD2-CE2 3.93Å; L405-F409 HydrophobicContact CD2-CZ 4.23Å; L405-F409 HydrophobicContact CG-CD2 4.11Å; L405-F409 HydrophobicContact CG-CE2 3.56Å; L405-F409 HydrophobicContact CG-CZ 3.91Å; L405-F409 WeakPolarHBondContact O-CD2 3.17Å; L405-F409 WeakPolarHBondContact O-CG 3.44Å; L405-F409 PolarHBondContact O-N 3.15Å |
| 406 | L | 90.7 | Very high | 86.2 | Confident | 106 Ų | 106 | 68 Ų | 68 | 56% | 0.555 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62 | -48 | 176 | -179.7 | 64.2 | 0 | 0 | 0 | 111.4 | D402 E403 V404 V408 F409 I410 | D402-L406 WeakPolarHBondContact O-CB 3.47Å; D402-L406 PolarHBondContact O-N 3.46Å; E403-L406 PolarHBondContact O-N 2.89Å; V404-L406 PolarHBondContact O-N 3.5Å; L406-V408 VanDerWaalsContact C-N 3.33Å; L406-V408 PolarHBondContact O-N 3.13Å; L406-F409 PolarHBondContact O-N 3.33Å; L406-F409 VanDerWaalsContact O-N 3.17Å; L406-I410 HydrophobicContact CD1-CD1 4.44Å; L406-I410 HydrophobicContact CG-CD1 4.2Å; L406-I410 WeakPolarHBondContact O-CG1 3.42Å; L406-I410 PolarHBondContact O-N 3.34Å |
| 407 | T | 89.5 | Confident | 86.4 | Confident | 60 Ų | 60 | 63.3 Ų | 63.3 | 37% | 0.368 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 175.9 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | E403 V404 F409 I410 E411 A467 | E403-T407 PolarHBondContact O-N 3.37Å; E403-T407 VanDerWaalsContact O-N 3.08Å; E403-T407 PolarHBondContact O-OG1 3.37Å; E403-T407 VanDerWaalsContact O-OG1 3.12Å; V404-T407 PolarHBondContact O-N 3.14Å; T407-F409 VanDerWaalsContact C-N 3.3Å; T407-F409 PolarHBondContact O-N 3.28Å; T407-I410 PolarHBondContact O-N 3.5Å; T407-E411 HydrophobicContact CG2-CG 4.47Å; T407-E411 WeakPolarHBondContact CG2-OE1 3.38Å; T407-E411 WeakPolarHBondContact O-CG 3.48Å; T407-E411 PolarHBondContact O-N 3.01Å; T407-A467 HydrophobicContact CG2-CB 4.08Å |
| 408 | V | 89.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.7 | -42.3 | 175.5 | 167.3 | 0 | 0 | 0 | 0 | 111.4 | L391 V404 L405 L406 E411 V412 A467 I470 V471 | L391-V408 HydrophobicContact CD2-CG1 3.77Å; V404-V408 HydrophobicContact CG1-CG2 4.39Å; V404-V408 WeakPolarHBondContact O-CB 3.25Å; V404-V408 VanDerWaalsContact O-CG2 3.23Å; V404-V408 WeakPolarHBondContact O-CG2 3.39Å; V404-V408 PolarHBondContact O-N 2.99Å; L405-V408 PolarHBondContact O-N 3.35Å; L406-V408 VanDerWaalsContact C-N 3.33Å; L406-V408 PolarHBondContact O-N 3.13Å; V408-E411 PolarHBondContact O-N 3.08Å; V408-V412 HydrophobicContact CG1-CG2 4.11Å; V408-V412 VanDerWaalsContact O-CB 3.25Å; V408-V412 WeakPolarHBondContact O-CB 3.42Å; V408-V412 WeakPolarHBondContact O-CG2 3.25Å; V408-V412 PolarHBondContact O-N 3.27Å; V408-A467 HydrophobicContact CG2-CB 4.11Å; V408-I470 HydrophobicContact CB-CG2 4.44Å; V408-I470 HydrophobicContact CG1-CG2 3.65Å; V408-I470 HydrophobicContact CG2-CB 3.94Å; V408-I470 HydrophobicContact CG2-CD1 4.04Å; V408-I470 HydrophobicContact CG2-CG2 3.85Å; V408-V471 HydrophobicContact CG2-CG2 4.35Å |
| 409 | F | 90.4 | Very high | 86.9 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 45% | 0.452 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 177.9 | -73 | -39.3 | 0 | 0 | 0 | 113 | L391 L405 L406 T407 E411 V412 E413 | L391-F409 HydrophobicContact CD1-CD1 3.99Å; L391-F409 HydrophobicContact CD1-CE1 3.72Å; L405-F409 HydrophobicContact CD1-CE1 4.21Å; L405-F409 HydrophobicContact CD1-CE2 3.91Å; L405-F409 HydrophobicContact CD1-CZ 3.73Å; L405-F409 HydrophobicContact CD2-CE2 3.93Å; L405-F409 HydrophobicContact CD2-CZ 4.23Å; L405-F409 HydrophobicContact CG-CD2 4.11Å; L405-F409 HydrophobicContact CG-CE2 3.56Å; L405-F409 HydrophobicContact CG-CZ 3.91Å; L405-F409 WeakPolarHBondContact O-CD2 3.17Å; L405-F409 WeakPolarHBondContact O-CG 3.44Å; L405-F409 PolarHBondContact O-N 3.15Å; L406-F409 PolarHBondContact O-N 3.33Å; L406-F409 VanDerWaalsContact O-N 3.17Å; T407-F409 VanDerWaalsContact C-N 3.3Å; T407-F409 PolarHBondContact O-N 3.28Å; F409-E411 VanDerWaalsContact C-N 3.35Å; F409-V412 PolarHBondContact O-N 3.38Å; F409-E413 VanDerWaalsContact O-CB 3.3Å; F409-E413 WeakPolarHBondContact O-CB 3.12Å; F409-E413 PolarHBondContact O-N 3.1Å |
| 410 | I | 87.7 | Confident | 87.2 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 177.3 | -66.4 | 167.3 | 0 | 0 | 0 | 110.4 | L406 T407 E413 S414 | L406-I410 HydrophobicContact CD1-CD1 4.44Å; L406-I410 HydrophobicContact CG-CD1 4.2Å; L406-I410 WeakPolarHBondContact O-CG1 3.42Å; L406-I410 PolarHBondContact O-N 3.34Å; T407-I410 PolarHBondContact O-N 3.5Å; I410-E413 PolarHBondContact O-N 2.88Å; I410-S414 WeakPolarHBondContact O-CB 3.33Å; I410-S414 PolarHBondContact O-N 3.28Å |
| 411 | E | 88.1 | Confident | 87.1 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 179.1 | -71.1 | -170.4 | -142 | 0 | 0 | 112.1 | T407 V408 F409 E413 S414 L415 Q468 V471 | T407-E411 HydrophobicContact CG2-CG 4.47Å; T407-E411 WeakPolarHBondContact CG2-OE1 3.38Å; T407-E411 WeakPolarHBondContact O-CG 3.48Å; T407-E411 PolarHBondContact O-N 3.01Å; V408-E411 PolarHBondContact O-N 3.08Å; F409-E411 VanDerWaalsContact C-N 3.35Å; E411-E413 VanDerWaalsContact C-N 3.34Å; E411-E413 PolarHBondContact O-N 3.42Å; E411-S414 WeakPolarHBondContact O-CB 3.49Å; E411-S414 PolarHBondContact O-N 3.09Å; E411-L415 WeakPolarHBondContact O-CG 3.28Å; E411-L415 PolarHBondContact O-N 2.84Å; E411-Q468 PolarHBondContact OE1-NE2 3.22Å; E411-Q468 PolarHBondContact OE2-NE2 3.09Å; E411-V471 HydrophobicContact CB-CG1 4.13Å; E411-V471 HydrophobicContact CB-CG2 3.65Å; E411-V471 HydrophobicContact CG-CG2 4.42Å; E411-V471 WeakPolarHBondContact OE2-CG2 3.49Å |
| 412 | V | 88.8 | Confident | 86.8 | Confident | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 174.2 | 165.5 | 0 | 0 | 0 | 0 | 111.2 | A387 L391 V408 F409 S414 L415 L416 F474 | A387-V412 HydrophobicContact CB-CG1 4.38Å; L391-V412 HydrophobicContact CD2-CG2 4.27Å; V408-V412 HydrophobicContact CG1-CG2 4.11Å; V408-V412 VanDerWaalsContact O-CB 3.25Å; V408-V412 WeakPolarHBondContact O-CB 3.42Å; V408-V412 WeakPolarHBondContact O-CG2 3.25Å; V408-V412 PolarHBondContact O-N 3.27Å; F409-V412 PolarHBondContact O-N 3.38Å; V412-S414 VanDerWaalsContact C-N 3.33Å; V412-L415 PolarHBondContact O-N 3.35Å; V412-L416 HydrophobicContact CG1-CD1 4.13Å; V412-L416 HydrophobicContact CG1-CG 4.44Å; V412-L416 VanDerWaalsContact O-CG 3.27Å; V412-L416 WeakPolarHBondContact O-CG 3.19Å; V412-L416 PolarHBondContact O-N 3.32Å; V412-F474 HydrophobicContact CB-CE1 4.42Å; V412-F474 HydrophobicContact CB-CZ 4.49Å; V412-F474 HydrophobicContact CG1-CD1 4.42Å; V412-F474 HydrophobicContact CG1-CE1 3.77Å; V412-F474 HydrophobicContact CG1-CE2 3.91Å; V412-F474 HydrophobicContact CG1-CZ 3.47Å; V412-F474 VanDerWaalsContact CG1-CZ 3.47Å; V412-F474 HydrophobicContact CG2-CD1 3.95Å; V412-F474 HydrophobicContact CG2-CD2 4.12Å; V412-F474 HydrophobicContact CG2-CE1 4.14Å; V412-F474 HydrophobicContact CG2-CE2 4.29Å; V412-F474 HydrophobicContact CG2-CG 3.94Å; V412-F474 HydrophobicContact CG2-CZ 4.3Å |
| 413 | E | 87.9 | Confident | 86.4 | Confident | 115 Ų | 115 | 60.3 Ų | 60.3 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 173.2 | 178.8 | -177.8 | 174.8 | 0 | 0 | 110.7 | F409 I410 E411 L415 L416 N417 | F409-E413 VanDerWaalsContact O-CB 3.3Å; F409-E413 WeakPolarHBondContact O-CB 3.12Å; F409-E413 PolarHBondContact O-N 3.1Å; I410-E413 PolarHBondContact O-N 2.88Å; E411-E413 VanDerWaalsContact C-N 3.34Å; E411-E413 PolarHBondContact O-N 3.42Å; E413-L415 VanDerWaalsContact C-N 3.33Å; E413-L415 PolarHBondContact O-N 3.34Å; E413-L416 PolarHBondContact O-N 2.9Å; E413-N417 WeakPolarHBondContact O-CB 3.3Å; E413-N417 VanDerWaalsContact O-CG 3.31Å; E413-N417 PolarHBondContact O-N 3.35Å; E413-N417 PolarHBondContact O-ND2 3.43Å |
| 414 | S | 86.5 | Confident | 85.8 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 177.7 | -169.1 | 0 | 0 | 0 | 0 | 112.6 | I410 E411 V412 N417 S418 N437 P446 | I410-S414 WeakPolarHBondContact O-CB 3.33Å; I410-S414 PolarHBondContact O-N 3.28Å; E411-S414 WeakPolarHBondContact O-CB 3.49Å; E411-S414 PolarHBondContact O-N 3.09Å; V412-S414 VanDerWaalsContact C-N 3.33Å; S414-N417 CarbonylContact O-C 3.53Å; S414-N417 PolarHBondContact O-N 3.32Å; S414-S418 PolarHBondContact O-N 3.16Å; S414-N437 PolarHBondContact O-ND2 3.49Å; S414-P446 WeakPolarHBondContact OG-CD 3.15Å; S414-P446 WeakPolarHBondContact OG-CG 3.29Å |
| 415 | L | 86 | Confident | 85.4 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66 | -40 | 174.5 | -74.7 | 179.2 | 0 | 0 | 0 | 112.8 | E411 V412 E413 N417 S418 V471 F474 L475 | E411-L415 WeakPolarHBondContact O-CG 3.28Å; E411-L415 PolarHBondContact O-N 2.84Å; V412-L415 PolarHBondContact O-N 3.35Å; E413-L415 VanDerWaalsContact C-N 3.33Å; E413-L415 PolarHBondContact O-N 3.34Å; L415-N417 PolarHBondContact O-N 2.87Å; L415-S418 PolarHBondContact O-N 3.27Å; L415-S418 PolarHBondContact O-OG 2.97Å; L415-V471 HydrophobicContact CD1-CG1 3.54Å; L415-V471 HydrophobicContact CG-CG1 4.48Å; L415-F474 HydrophobicContact CD1-CD1 4.19Å; L415-L475 HydrophobicContact CD1-CB 4.37Å; L415-L475 HydrophobicContact CD2-CD1 4.33Å |
| 416 | L | 85.8 | Confident | 85.1 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 9% | 0.089 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.4 | -32.7 | 175.3 | -71.3 | 174.1 | 0 | 0 | 0 | 111.5 | M383 A387 V412 E413 R419 M478 | M383-L416 HydrophobicContact CE-CB 4.41Å; M383-L416 HydrophobicContact CE-CD1 4.49Å; M383-L416 HydrophobicContact CG-CD1 4.26Å; M383-L416 HydrophobicContact CG-CD2 3.92Å; M383-L416 HydrophobicContact SD-CB 4.28Å; M383-L416 HydrophobicContact SD-CD2 4.18Å; A387-L416 HydrophobicContact CB-CD1 4.04Å; V412-L416 HydrophobicContact CG1-CD1 4.13Å; V412-L416 HydrophobicContact CG1-CG 4.44Å; V412-L416 VanDerWaalsContact O-CG 3.27Å; V412-L416 WeakPolarHBondContact O-CG 3.19Å; V412-L416 PolarHBondContact O-N 3.32Å; E413-L416 PolarHBondContact O-N 2.9Å; L416-R419 WeakPolarHBondContact O-CB 3.46Å; L416-R419 PolarHBondContact O-NH1 2.93Å; L416-R419 VanDerWaalsContact O-NH1 3.1Å; L416-M478 HydrophobicContact CD2-CE 3.93Å |
| 417 | N | 86.7 | Confident | 84.8 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -83.6 | -9.5 | 178 | -69.9 | -24 | 0 | 0 | 0 | 113.8 | E413 S414 L415 R419 P436 N437 | E413-N417 WeakPolarHBondContact O-CB 3.3Å; E413-N417 VanDerWaalsContact O-CG 3.31Å; E413-N417 PolarHBondContact O-N 3.35Å; E413-N417 PolarHBondContact O-ND2 3.43Å; S414-N417 CarbonylContact O-C 3.53Å; S414-N417 PolarHBondContact O-N 3.32Å; L415-N417 PolarHBondContact O-N 2.87Å; N417-R419 VanDerWaalsContact C-N 3.32Å; N417-P436 HydrophobicContact CB-CB 3.92Å; N417-P436 WeakPolarHBondContact O-CD 3.27Å; N417-N437 VanDerWaalsContact C-ND2 3.33Å; N417-N437 WeakPolarHBondContact CB-OD1 3.43Å; N417-N437 PolarHBondContact O-N 2.83Å; N417-N437 PolarHBondContact O-ND2 3.31Å |
| 418 | S | 84.5 | Confident | 84.4 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.6 | 171 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | S414 L415 T435 N437 S444 | S414-S418 PolarHBondContact O-N 3.16Å; L415-S418 PolarHBondContact O-N 3.27Å; L415-S418 PolarHBondContact O-OG 2.97Å; S418-T435 VanDerWaalsContact O-CG2 3.24Å; S418-T435 WeakPolarHBondContact O-CG2 3.18Å; S418-N437 PolarHBondContact N-ND2 3.42Å; S418-S444 WeakPolarHBondContact CB-O 3.23Å |
| 419 | R | 83.9 | Confident | 84.1 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 29% | 0.291 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -64.7 | 134.7 | 176.6 | -173.6 | -169.6 | 61.2 | -101.2 | 0.6 | 111.3 | M383 L416 N417 T435 P436 | M383-R419 PolarHBondContact SD-NH1 3.31Å; L416-R419 WeakPolarHBondContact O-CB 3.46Å; L416-R419 PolarHBondContact O-NH1 2.93Å; L416-R419 VanDerWaalsContact O-NH1 3.1Å; N417-R419 VanDerWaalsContact C-N 3.32Å; R419-T435 WeakPolarHBondContact O-CB 3.43Å; R419-P436 WeakPolarHBondContact O-CD 3.37Å |
| 420 | P | 84.7 | Confident | 83.7 | Confident | 35 Ų | 35 | 71.7 Ų | 71.7 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | trans | -56.8 | 138.9 | 169.2 | -26.9 | 37.4 | 0 | 0 | 0 | 112.6 | I424 L433 | P420-I424 HydrophobicContact CB-CG1 4.19Å; P420-I424 HydrophobicContact CG-CD1 4.02Å; P420-I424 HydrophobicContact CG-CG1 3.92Å; P420-L433 HydrophobicContact CB-CB 4.33Å; P420-L433 HydrophobicContact CB-CD1 4.16Å; P420-L433 HydrophobicContact CG-CD1 4.21Å | ||
| 421 | L | 81.6 | Confident | 83.4 | Confident | 91 Ų | 91 | 72.2 Ų | 72.2 | 48% | 0.476 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -81.8 | -22.8 | 174.5 | -67.3 | 178.4 | 0 | 0 | 0 | 112.6 | L434 P436 F439 | L421-L434 WeakPolarHBondContact CB-O 3.27Å; L421-L434 HydrophobicContact CD1-CB 4.39Å; L421-L434 PolarHBondContact N-O 3.24Å; L421-P436 HydrophobicContact CD2-CG 3.91Å; L421-F439 HydrophobicContact CD1-CD2 4.4Å; L421-F439 HydrophobicContact CD1-CE2 3.64Å |
| 422 | T | 78.1 | Confident | 83 | Confident | 87 Ų | 87 | 77 Ų | 77 | 53% | 0.534 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -122.3 | 171.6 | -176.9 | 56.6 | 0 | 0 | 0 | 0 | 111 | ||
| 423 | H | 77.9 | Confident | 82.7 | Confident | 160 Ų | 160 | 78.9 Ų | 78.9 | 74% | 0.741 | 43% | 0.433 | S | S | * | . | trans | -55 | 138.1 | 171.7 | -177.6 | -86.4 | 0 | 0 | 0 | 110.8 | S425 L433 | H423-S425 PolarHBondContact O-N 3.25Å; H423-L433 WeakPolarHBondContact O-CD2 3.5Å | ||
| 424 | I | 76.7 | Confident | 82.5 | Confident | 64 Ų | 64 | 77.8 Ų | 77.8 | 33% | 0.328 | 43% | 0.431 | S | S | . | . | trans | -79 | 113.8 | 176.2 | -65.6 | 158.7 | 0 | 0 | 0 | 108.1 | P420 L433 P484 | P420-I424 HydrophobicContact CB-CG1 4.19Å; P420-I424 HydrophobicContact CG-CD1 4.02Å; P420-I424 HydrophobicContact CG-CG1 3.92Å; I424-L433 HydrophobicContact CB-CD1 3.84Å; I424-L433 HydrophobicContact CG1-CD1 3.42Å; I424-L433 VanDerWaalsContact CG1-CD1 3.42Å; I424-L433 HydrophobicContact CG2-CD1 3.95Å; I424-P484 HydrophobicContact CD1-CB 3.84Å; I424-P484 VanDerWaalsContact CD1-CD 3.49Å; I424-P484 HydrophobicContact CD1-CG 3.45Å; I424-P484 VanDerWaalsContact CD1-CG 3.45Å | ||
| 425 | S | 77.7 | Confident | 82.4 | Confident | 48 Ų | 48 | 76.9 Ų | 76.9 | 34% | 0.336 | 42% | 0.424 | S | S | . | . | trans | -69.1 | 149.1 | 175.4 | -168.2 | 0 | 0 | 0 | 0 | 111.2 | H423 D427 D430 | H423-S425 PolarHBondContact O-N 3.25Å; S425-D427 PolarHBondContact OG-N 3.08Å; S425-D430 WeakPolarHBondContact CB-OD2 3.38Å; S425-D430 PolarHBondContact OG-OD2 2.83Å | ||
| 426 | I | 84.2 | Confident | 82.3 | Confident | 166 Ų | 166 | 76.4 Ų | 76.4 | 85% | 0.851 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -89.5 | -16.1 | 176.4 | -45.2 | 164.6 | 0 | 0 | 0 | 109.8 | P428 | I426-P428 WeakPolarHBondContact O-CD 3.47Š|
| 427 | D | 83.5 | Confident | 82.1 | Confident | 80 Ų | 80 | 75.8 Ų | 75.8 | 43% | 0.428 | 42% | 0.42 | S | S | . | . | trans | -80.5 | 118.1 | 179.5 | -168.2 | -19.5 | 0 | 0 | 0 | 110.5 | S425 S429 D430 | S425-D427 PolarHBondContact OG-N 3.08Å; D427-S429 PolarHBondContact O-N 2.99Å; D427-S429 WeakPolarHBondContact OD1-CB 3.22Å; D427-S429 PolarHBondContact OD1-N 3.03Å; D427-S429 PolarHBondContact OD1-OG 3.32Å; D427-D430 PolarHBondContact O-N 3.08Å | ||
| 428 | P | 81.1 | Confident | 81.8 | Confident | 127 Ų | 127 | 76.3 Ų | 76.3 | 83% | 0.825 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -10.3 | 177.1 | 30.1 | -36.8 | 0 | 0 | 0 | 113.6 | I426 D430 | I426-P428 WeakPolarHBondContact O-CD 3.47Å; P428-D430 VanDerWaalsContact C-N 3.31Å |
| 429 | S | 85 | Confident | 81.5 | Confident | 100 Ų | 100 | 80.8 Ų | 80.8 | 70% | 0.699 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -15.8 | 177.1 | -36.5 | 0 | 0 | 0 | 0 | 112.6 | D427 | D427-S429 PolarHBondContact O-N 2.99Å; D427-S429 WeakPolarHBondContact OD1-CB 3.22Å; D427-S429 PolarHBondContact OD1-N 3.03Å; D427-S429 PolarHBondContact OD1-OG 3.32Å |
| 430 | D | 82.1 | Confident | 81.2 | Confident | 85 Ų | 85 | 82.6 Ų | 82.6 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -73.9 | 149.1 | 180 | -78.8 | -24.3 | 0 | 0 | 0 | 111.9 | S425 D427 P428 | S425-D430 WeakPolarHBondContact CB-OD2 3.38Å; S425-D430 PolarHBondContact OG-OD2 2.83Å; D427-D430 PolarHBondContact O-N 3.08Å; P428-D430 VanDerWaalsContact C-N 3.31Å |
| 431 | P | 81.1 | Confident | 80.8 | Confident | 110 Ų | 110 | 85.3 Ų | 85.3 | 71% | 0.714 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 156.5 | -179.2 | 27.1 | -34.6 | 0 | 0 | 0 | 112.5 | L433 | P431-L433 PolarHBondContact O-N 3.17Š|
| 432 | E | 79.5 | Confident | 80.6 | Confident | 134 Ų | 134 | 84 Ų | 84 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 134.4 | 175.2 | -175.9 | 177 | -173.6 | 0 | 0 | 111 | H438 S444 | E432-H438 IonicContact OE1-CE1 3.47Å; E432-H438 IonicContact OE1-NE2 3.22Å; E432-H438 PolarHBondContact OE1-NE2 3.44Å; E432-H438 IonicContact OE2-NE2 3.82Å; E432-S444 WeakPolarHBondContact OE1-CB 3.37Å; E432-S444 PolarHBondContact OE1-OG 2.92Å |
| 433 | L | 83 | Confident | 80.6 | Confident | 45 Ų | 45 | 86.5 Ų | 86.5 | 24% | 0.236 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 134.9 | -177.2 | -61.6 | 168.1 | 0 | 0 | 0 | 111.1 | P420 H423 I424 P431 T435 H438 | P420-L433 HydrophobicContact CB-CB 4.33Å; P420-L433 HydrophobicContact CB-CD1 4.16Å; P420-L433 HydrophobicContact CG-CD1 4.21Å; H423-L433 WeakPolarHBondContact O-CD2 3.5Å; I424-L433 HydrophobicContact CB-CD1 3.84Å; I424-L433 HydrophobicContact CG1-CD1 3.42Å; I424-L433 VanDerWaalsContact CG1-CD1 3.42Å; I424-L433 HydrophobicContact CG2-CD1 3.95Å; P431-L433 PolarHBondContact O-N 3.17Å; L433-T435 PolarHBondContact O-N 2.87Å; L433-H438 PolarHBondContact O-CE1 3.12Å |
| 434 | L | 83.2 | Confident | 80.6 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 134.2 | 174.6 | -72.1 | 167 | 0 | 0 | 0 | 110.9 | L421 H438 F439 | L421-L434 WeakPolarHBondContact CB-O 3.27Å; L421-L434 HydrophobicContact CD1-CB 4.39Å; L421-L434 PolarHBondContact N-O 3.24Å; L434-H438 HydrophobicContact CD2-CB 4.19Å; L434-F439 HydrophobicContact CB-CE2 4.41Å; L434-F439 HydrophobicContact CD1-CZ 4.32Å; L434-F439 HydrophobicContact CD2-CE2 4.41Å; L434-F439 HydrophobicContact CD2-CZ 4.23Å |
| 435 | T | 84.1 | Confident | 80.3 | Confident | 5 Ų | 5 | 80.7 Ų | 80.7 | 3% | 0.031 | 45% | 0.454 | C | S | . | . | trans | -126 | 158.5 | 175 | 71.2 | 0 | 0 | 0 | 0 | 108.4 | S418 R419 L433 N437 H438 F439 | S418-T435 VanDerWaalsContact O-CG2 3.24Å; S418-T435 WeakPolarHBondContact O-CG2 3.18Å; R419-T435 WeakPolarHBondContact O-CB 3.43Å; L433-T435 PolarHBondContact O-N 2.87Å; T435-N437 PolarHBondContact O-N 3.46Å; T435-N437 PolarHBondContact OG1-N 2.99Å; T435-H438 PolarHBondContact N-ND1 3.35Å; T435-H438 WeakPolarHBondContact O-CB 3.45Å; T435-H438 PolarHBondContact O-N 2.79Å; T435-H438 PolarHBondContact OG1-N 2.8Å; T435-H438 PolarHBondContact OG1-ND1 2.8Å; T435-F439 WeakPolarHBondContact O-CD2 3.12Å | ||
| 436 | P | 83.7 | Confident | 79.8 | Confident | 24 Ų | 24 | 80.6 Ų | 80.6 | 16% | 0.156 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -51.3 | -37.5 | 171.6 | -27.3 | 32.8 | 0 | 0 | 0 | 113.9 | N417 R419 L421 H438 F439 L440 | N417-P436 HydrophobicContact CB-CB 3.92Å; N417-P436 WeakPolarHBondContact O-CD 3.27Å; R419-P436 WeakPolarHBondContact O-CD 3.37Å; L421-P436 HydrophobicContact CD2-CG 3.91Å; P436-H438 VanDerWaalsContact C-N 3.25Å; P436-H438 PolarHBondContact O-N 2.77Å; P436-F439 PolarHBondContact O-N 3.06Å; P436-L440 WeakPolarHBondContact O-CG 3.44Å; P436-L440 PolarHBondContact O-N 3.29Å; P436-L440 VanDerWaalsContact O-N 3.15Å |
| 437 | N | 82.5 | Confident | 78.9 | Confident | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.016 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.7 | -27.3 | 176.7 | -76.5 | -28 | 0 | 0 | 0 | 113.3 | S414 N417 S418 T435 F439 L440 L441 G442 R443 S444 | S414-N437 PolarHBondContact O-ND2 3.49Å; N417-N437 VanDerWaalsContact C-ND2 3.33Å; N417-N437 WeakPolarHBondContact CB-OD1 3.43Å; N417-N437 PolarHBondContact O-N 2.83Å; N417-N437 PolarHBondContact O-ND2 3.31Å; S418-N437 PolarHBondContact N-ND2 3.42Å; T435-N437 PolarHBondContact O-N 3.46Å; T435-N437 PolarHBondContact OG1-N 2.99Å; N437-F439 PolarHBondContact O-N 3.18Å; N437-L440 PolarHBondContact O-N 2.73Å; N437-L441 HydrophobicContact CB-CD1 4.35Å; N437-L441 WeakPolarHBondContact O-CA 3.41Å; N437-L441 WeakPolarHBondContact O-CB 3.36Å; N437-L441 PolarHBondContact O-N 3.05Å; N437-G442 PolarHBondContact O-N 3.1Å; N437-R443 CarbonylContact C-O 3.32Å; N437-R443 WeakPolarHBondContact CB-O 3.26Å; N437-S444 WeakPolarHBondContact CB-O 3.39Å; N437-S444 PolarHBondContact ND2-O 2.91Å |
| 438 | H | 80.4 | Confident | 78 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 18% | 0.181 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 173 | -75 | 99.2 | 0 | 0 | 0 | 112.1 | E432 L433 L434 T435 P436 G442 R443 S444 | E432-H438 IonicContact OE1-CE1 3.47Å; E432-H438 IonicContact OE1-NE2 3.22Å; E432-H438 PolarHBondContact OE1-NE2 3.44Å; E432-H438 IonicContact OE2-NE2 3.82Å; L433-H438 PolarHBondContact O-CE1 3.12Å; L434-H438 HydrophobicContact CD2-CB 4.19Å; T435-H438 PolarHBondContact N-ND1 3.35Å; T435-H438 WeakPolarHBondContact O-CB 3.45Å; T435-H438 PolarHBondContact O-N 2.79Å; T435-H438 PolarHBondContact OG1-N 2.8Å; T435-H438 PolarHBondContact OG1-ND1 2.8Å; P436-H438 VanDerWaalsContact C-N 3.25Å; P436-H438 PolarHBondContact O-N 2.77Å; H438-G442 WeakPolarHBondContact O-CA 3.25Å; H438-G442 PolarHBondContact O-N 3.4Å; H438-G442 VanDerWaalsContact O-N 3.12Å; H438-R443 PolarHBondContact N-O 3.43Å; H438-S444 VanDerWaalsContact CE1-CB 3.45Å; H438-S444 WeakPolarHBondContact CE1-CB 3.35Å |
| 439 | F | 77.9 | Confident | 77.2 | Confident | 125 Ų | 125 | 75.2 Ų | 75.2 | 55% | 0.548 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -79.4 | -31.6 | 178 | -60.7 | -81.5 | 0 | 0 | 0 | 112.8 | L421 L434 T435 P436 N437 | L421-F439 HydrophobicContact CD1-CD2 4.4Å; L421-F439 HydrophobicContact CD1-CE2 3.64Å; L434-F439 HydrophobicContact CB-CE2 4.41Å; L434-F439 HydrophobicContact CD1-CZ 4.32Å; L434-F439 HydrophobicContact CD2-CE2 4.41Å; L434-F439 HydrophobicContact CD2-CZ 4.23Å; T435-F439 WeakPolarHBondContact O-CD2 3.12Å; P436-F439 PolarHBondContact O-N 3.06Å; N437-F439 PolarHBondContact O-N 3.18Å |
| 440 | L | 77.7 | Confident | 76.1 | Confident | 116 Ų | 116 | 75 Ų | 75 | 61% | 0.607 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -88.2 | -37.5 | -176.3 | -63.6 | 173.7 | 0 | 0 | 0 | 113.4 | P436 N437 | P436-L440 WeakPolarHBondContact O-CG 3.44Å; P436-L440 PolarHBondContact O-N 3.29Å; P436-L440 VanDerWaalsContact O-N 3.15Å; N437-L440 PolarHBondContact O-N 2.73Å |
| 441 | L | 76.1 | Confident | 75.5 | Confident | 92 Ų | 92 | 74.4 Ų | 74.4 | 48% | 0.482 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -125.5 | -10.5 | -169.6 | -56.2 | 176 | 0 | 0 | 0 | 113.3 | N437 R443 P446 | N437-L441 HydrophobicContact CB-CD1 4.35Å; N437-L441 WeakPolarHBondContact O-CA 3.41Å; N437-L441 WeakPolarHBondContact O-CB 3.36Å; N437-L441 PolarHBondContact O-N 3.05Å; L441-R443 VanDerWaalsContact C-N 3.31Å; L441-R443 HydrophobicContact CB-CG 4.38Å; L441-R443 PolarHBondContact O-N 3.39Å; L441-P446 HydrophobicContact CD1-CB 4Å; L441-P446 HydrophobicContact CD1-CG 3.87Å |
| 442 | G | 76 | Confident | 75.1 | Confident | 62 Ų | 62 | 75.3 Ų | 75.3 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 78 | 8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N437 H438 | N437-G442 PolarHBondContact O-N 3.1Å; H438-G442 WeakPolarHBondContact O-CA 3.25Å; H438-G442 PolarHBondContact O-N 3.4Å; H438-G442 VanDerWaalsContact O-N 3.12Å |
| 443 | R | 78.3 | Confident | 75 | Confident | 140 Ų | 140 | 69.7 Ų | 69.7 | 53% | 0.528 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -150.6 | 157 | -179.9 | 61.4 | -177.9 | -177.4 | -127.9 | 7.9 | 111.9 | N437 H438 L441 | N437-R443 CarbonylContact C-O 3.32Å; N437-R443 WeakPolarHBondContact CB-O 3.26Å; H438-R443 PolarHBondContact N-O 3.43Å; L441-R443 VanDerWaalsContact C-N 3.31Å; L441-R443 HydrophobicContact CB-CG 4.38Å; L441-R443 PolarHBondContact O-N 3.39Å |
| 444 | S | 77.7 | Confident | 74.7 | Confident | 37 Ų | 37 | 71 Ų | 71 | 26% | 0.259 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -68.7 | -47.8 | -176.1 | 44.7 | 0 | 0 | 0 | 0 | 115 | S418 E432 N437 H438 | S418-S444 WeakPolarHBondContact CB-O 3.23Å; E432-S444 WeakPolarHBondContact OE1-CB 3.37Å; E432-S444 PolarHBondContact OE1-OG 2.92Å; N437-S444 WeakPolarHBondContact CB-O 3.39Å; N437-S444 PolarHBondContact ND2-O 2.91Å; H438-S444 VanDerWaalsContact CE1-CB 3.45Å; H438-S444 WeakPolarHBondContact CE1-CB 3.35Å |
| 445 | C | 72.1 | Confident | 74.1 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | trans | -131.6 | 122 | -178 | -165.9 | 0 | 0 | 0 | 0 | 110.5 | H447 | C445-H447 PolarHBondContact SG-O 2.89Š| ||
| 446 | P | 66.2 | Low | 73.7 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | trans | -82.8 | -14.4 | 177.3 | 31.5 | -33.2 | 0 | 0 | 0 | 114.3 | S414 L441 | S414-P446 WeakPolarHBondContact OG-CD 3.15Å; S414-P446 WeakPolarHBondContact OG-CG 3.29Å; L441-P446 HydrophobicContact CD1-CB 4Å; L441-P446 HydrophobicContact CD1-CG 3.87Å | ||
| 447 | H | 65.9 | Low | 73.5 | Confident | 78 Ų | 78 | 79.5 Ų | 79.5 | 36% | 0.361 | 44% | 0.443 | S | S | . | . | trans | -124.7 | 137.8 | -166.4 | -169.2 | 48.4 | 0 | 0 | 0 | 113 | C445 Q468 | C445-H447 PolarHBondContact SG-O 2.89Å; H447-Q468 PolarHBondContact NE2-NE2 2.82Å; H447-Q468 PolarHBondContact NE2-OE1 2.76Å | ||
| 448 | V | 63.4 | Low | 73.1 | Confident | 123 Ų | 123 | 80.1 Ų | 80.1 | 75% | 0.745 | 45% | 0.446 | S | S | * | . | trans | -120.5 | 122.1 | 165.1 | -178.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 449 | P | 64.2 | Low | 72.8 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 39% | 0.39 | 47% | 0.472 | S | S | . | . | trans | -54.5 | 133.4 | 177.9 | -23.6 | 32.2 | 0 | 0 | 0 | 110.4 | D451 | P449-D451 PolarHBondContact O-N 3.29Š| ||
| 450 | P | 63.3 | Low | 72.8 | Confident | 94 Ų | 94 | 78.8 Ų | 78.8 | 61% | 0.61 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -73.3 | -16.1 | -176.1 | 28.6 | -35 | 0 | 0 | 0 | 113.6 | W464 | P450-W464 HydrophobicContact CG-CE3 4.46Å; P450-W464 HydrophobicContact CG-CZ3 3.93Å |
| 451 | D | 68.9 | Low | 72.8 | Confident | 73 Ų | 73 | 85.2 Ų | 85.2 | 39% | 0.39 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -156.5 | 160.3 | -170.6 | -157.2 | 0.1 | 0 | 0 | 0 | 110.2 | P449 V453 W464 R465 | P449-D451 PolarHBondContact O-N 3.29Å; D451-V453 PolarHBondContact O-N 2.87Å; D451-W464 HydrophobicContact CB-CH2 4.03Å; D451-W464 HydrophobicContact CB-CZ3 4.36Å; D451-R465 IonicContact OD2-CZ 3.73Å; D451-R465 IonicContact OD2-NE 3.98Å; D451-R465 IonicContact OD2-NH2 3.79Å; D451-R465 PolarHBondContact OD2-NH2 3.13Å |
| 452 | V | 72.8 | Confident | 73.1 | Confident | 129 Ų | 129 | 87.5 Ų | 87.5 | 78% | 0.782 | 48% | 0.475 | S | S | * | . | trans | -82.7 | 113.7 | 172.9 | -180 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 453 | V | 78 | Confident | 73.5 | Confident | 17 Ų | 17 | 89.9 Ų | 89.9 | 10% | 0.103 | 47% | 0.468 | C | S | . | . | trans | -109.3 | 143.2 | -176.9 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | D451 D457 Q468 A469 | D451-V453 PolarHBondContact O-N 2.87Å; V453-D457 HydrophobicContact CG1-CB 3.45Å; V453-D457 VanDerWaalsContact CG1-CB 3.45Å; V453-Q468 HydrophobicContact CB-CB 4.47Å; V453-Q468 HydrophobicContact CG2-CB 3.97Å; V453-A469 HydrophobicContact CG1-CB 3.56Å | ||
| 454 | T | 76.1 | Confident | 73.8 | Confident | 71 Ų | 71 | 88.4 Ų | 88.4 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | trans | -112.7 | 164.4 | -178.6 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | I456 D457 | T454-I456 PolarHBondContact O-N 3.35Å; T454-D457 PolarHBondContact N-OD2 3.34Å; T454-D457 WeakPolarHBondContact O-CB 3.39Å; T454-D457 PolarHBondContact O-N 3.45Å; T454-D457 PolarHBondContact OG1-OD2 3.43Å; T454-D457 VanDerWaalsContact OG1-OD2 3.09Å | ||
| 455 | E | 71.3 | Confident | 74.1 | Confident | 121 Ų | 121 | 89.2 Ų | 89.2 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -56.6 | -23.5 | 177.4 | -71 | -165 | 149 | 0 | 0 | 113.8 | D457 I458 | E455-D457 PolarHBondContact O-N 2.93Å; E455-I458 HydrophobicContact CB-CD1 4.43Å; E455-I458 WeakPolarHBondContact O-CD1 3.37Å; E455-I458 VanDerWaalsContact O-CG1 3.29Å; E455-I458 WeakPolarHBondContact O-CG1 3.31Å; E455-I458 PolarHBondContact O-N 3.49Å |
| 456 | I | 74.3 | Confident | 74.8 | Confident | 140 Ų | 140 | 86.5 Ų | 86.5 | 72% | 0.718 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -67 | -29.4 | 177.7 | -50.8 | 173.9 | 0 | 0 | 0 | 110.7 | T454 I458 S459 | T454-I456 PolarHBondContact O-N 3.35Å; I456-I458 PolarHBondContact O-N 3.36Å; I456-S459 PolarHBondContact O-OG 3.39Å |
| 457 | D | 79.7 | Confident | 75.8 | Confident | 38 Ų | 38 | 84.4 Ų | 84.4 | 20% | 0.203 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -74.9 | -7.5 | -178.9 | -68.8 | -66.6 | 0 | 0 | 0 | 113.9 | V453 T454 E455 S459 S460 R465 A466 A469 | V453-D457 HydrophobicContact CG1-CB 3.45Å; V453-D457 VanDerWaalsContact CG1-CB 3.45Å; T454-D457 PolarHBondContact N-OD2 3.34Å; T454-D457 WeakPolarHBondContact O-CB 3.39Å; T454-D457 PolarHBondContact O-N 3.45Å; T454-D457 PolarHBondContact OG1-OD2 3.43Å; T454-D457 VanDerWaalsContact OG1-OD2 3.09Å; E455-D457 PolarHBondContact O-N 2.93Å; D457-S459 PolarHBondContact O-N 3.33Å; D457-S460 WeakPolarHBondContact O-CA 3.3Å; D457-S460 WeakPolarHBondContact O-CB 3.33Å; D457-S460 PolarHBondContact O-N 2.89Å; D457-R465 HydrophobicContact CB-CB 4.33Å; D457-A466 WeakPolarHBondContact O-CA 3.48Å; D457-A469 HydrophobicContact CB-CB 4.05Å |
| 458 | I | 75.7 | Confident | 76.8 | Confident | 16 Ų | 16 | 81.1 Ų | 81.1 | 8% | 0.082 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -58.5 | -31.9 | 174.5 | -61.6 | 169.3 | 0 | 0 | 0 | 110.8 | R398 E455 I456 A466 A469 I470 | R398-I458 VanDerWaalsContact NH1-CD1 3.27Å; R398-I458 VanDerWaalsContact NH1-CG2 3.29Å; E455-I458 HydrophobicContact CB-CD1 4.43Å; E455-I458 WeakPolarHBondContact O-CD1 3.37Å; E455-I458 VanDerWaalsContact O-CG1 3.29Å; E455-I458 WeakPolarHBondContact O-CG1 3.31Å; E455-I458 PolarHBondContact O-N 3.49Å; I456-I458 PolarHBondContact O-N 3.36Å; I458-A466 WeakPolarHBondContact O-CB 3.26Å; I458-A469 HydrophobicContact CB-CB 4.34Å; I458-A469 HydrophobicContact CG1-CB 3.49Å; I458-A469 VanDerWaalsContact CG1-CB 3.49Å; I458-I470 HydrophobicContact CG1-CG1 4.41Å; I458-I470 HydrophobicContact CG2-CD1 4.39Å; I458-I470 HydrophobicContact CG2-CG1 3.92Å |
| 459 | S | 73.7 | Confident | 77.8 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 73% | 0.734 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -94.2 | 12.7 | 173.6 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | I456 D457 | I456-S459 PolarHBondContact O-OG 3.39Å; D457-S459 PolarHBondContact O-N 3.33Å |
| 460 | S | 77.6 | Confident | 79 | Confident | 32 Ų | 32 | 72.5 Ų | 72.5 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | trans | -63.7 | 138.4 | -177.7 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | D457 R462 | D457-S460 WeakPolarHBondContact O-CA 3.3Å; D457-S460 WeakPolarHBondContact O-CB 3.33Å; D457-S460 PolarHBondContact O-N 2.89Å; S460-R462 PolarHBondContact O-N 3.49Å; S460-R462 PolarHBondContact OG-N 3.35Å | ||
| 461 | R | 77.7 | Confident | 80.1 | Confident | 250 Ų | 250 | 68.4 Ų | 68.4 | 94% | 0.943 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -63.2 | -21.8 | 170.2 | -67.2 | -173.5 | 178.2 | -159.5 | -0.1 | 112.1 | K463 | R461-K463 PolarHBondContact O-N 2.96Š|
| 462 | R | 83.1 | Confident | 80.9 | Confident | 141 Ų | 141 | 66.7 Ų | 66.7 | 53% | 0.532 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -79.7 | 98.2 | 173.4 | -63.8 | -176.2 | -175.2 | -167.6 | -1.1 | 108.2 | S460 W464 R465 A466 | S460-R462 PolarHBondContact O-N 3.49Å; S460-R462 PolarHBondContact OG-N 3.35Å; R462-W464 PolarHBondContact O-N 2.84Å; R462-W464 VanDerWaalsContact O-N 3.08Å; R462-R465 HydrophobicContact CB-CB 4.22Å; R462-R465 HydrophobicContact CB-CG 4.22Å; R462-R465 WeakPolarHBondContact O-CB 3.48Å; R462-R465 PolarHBondContact O-N 3.02Å; R462-A466 PolarHBondContact O-N 2.88Å; R462-A466 VanDerWaalsContact O-N 3.15Å |
| 463 | K | 83.3 | Confident | 81.5 | Confident | 111 Ų | 111 | 60.8 Ų | 60.8 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -47.9 | -38.8 | -176.9 | -70.7 | -170.3 | 176.6 | -171.6 | 0 | 113.9 | E403 V404 R461 A466 A467 | E403-K463 IonicContact OE1-NZ 3.1Å; E403-K463 IonicContact OE2-NZ 3.94Å; E403-K463 PolarHBondContact OE2-NZ 2.78Å; V404-K463 HydrophobicContact CG2-CB 3.76Å; V404-K463 HydrophobicContact CG2-CD 4.23Å; V404-K463 HydrophobicContact CG2-CG 3.97Å; R461-K463 PolarHBondContact O-N 2.96Å; K463-A466 PolarHBondContact O-N 3.5Å; K463-A467 PolarHBondContact O-N 2.82Å |
| 464 | W | 84.7 | Confident | 82 | Confident | 110 Ų | 110 | 60.1 Ų | 60.1 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 177.9 | 73.8 | -98.6 | 0 | 0 | 0 | 113.2 | P450 D451 R462 A467 Q468 | P450-W464 HydrophobicContact CG-CE3 4.46Å; P450-W464 HydrophobicContact CG-CZ3 3.93Å; D451-W464 HydrophobicContact CB-CH2 4.03Å; D451-W464 HydrophobicContact CB-CZ3 4.36Å; R462-W464 PolarHBondContact O-N 2.84Å; R462-W464 VanDerWaalsContact O-N 3.08Å; W464-A467 PolarHBondContact O-N 2.68Å; W464-Q468 HydrophobicContact CE3-CG 4.2Å; W464-Q468 WeakPolarHBondContact O-CG 3.43Å; W464-Q468 PolarHBondContact O-N 2.74Å |
| 465 | R | 85 | Confident | 82.3 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 174.5 | -74.2 | -163.9 | 170.4 | 138.7 | -1.9 | 111.4 | D451 D457 R462 A467 Q468 A469 | D451-R465 IonicContact OD2-CZ 3.73Å; D451-R465 IonicContact OD2-NE 3.98Å; D451-R465 IonicContact OD2-NH2 3.79Å; D451-R465 PolarHBondContact OD2-NH2 3.13Å; D457-R465 HydrophobicContact CB-CB 4.33Å; R462-R465 HydrophobicContact CB-CB 4.22Å; R462-R465 HydrophobicContact CB-CG 4.22Å; R462-R465 WeakPolarHBondContact O-CB 3.48Å; R462-R465 PolarHBondContact O-N 3.02Å; R465-A467 VanDerWaalsContact C-N 3.31Å; R465-A467 PolarHBondContact O-N 3.14Å; R465-Q468 PolarHBondContact O-N 2.8Å; R465-A469 VanDerWaalsContact O-CB 3.28Å; R465-A469 WeakPolarHBondContact O-CB 3.39Å; R465-A469 PolarHBondContact O-N 3.07Å |
| 466 | A | 85 | Confident | 82.7 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V404 D457 I458 R462 K463 I470 | V404-A466 HydrophobicContact CG1-CB 4.41Å; D457-A466 WeakPolarHBondContact O-CA 3.48Å; I458-A466 WeakPolarHBondContact O-CB 3.26Å; R462-A466 PolarHBondContact O-N 2.88Å; R462-A466 VanDerWaalsContact O-N 3.15Å; K463-A466 PolarHBondContact O-N 3.5Å; A466-I470 WeakPolarHBondContact O-CD1 3.41Å; A466-I470 WeakPolarHBondContact O-CG1 3.23Å; A466-I470 PolarHBondContact O-N 3.12Å |
| 467 | A | 87.3 | Confident | 83 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -51.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V404 T407 V408 K463 W464 R465 A469 I470 V471 | V404-A467 HydrophobicContact CG1-CB 4.21Å; T407-A467 HydrophobicContact CG2-CB 4.08Å; V408-A467 HydrophobicContact CG2-CB 4.11Å; K463-A467 PolarHBondContact O-N 2.82Å; W464-A467 PolarHBondContact O-N 2.68Å; R465-A467 VanDerWaalsContact C-N 3.31Å; R465-A467 PolarHBondContact O-N 3.14Å; A467-A469 PolarHBondContact O-N 3.14Å; A467-I470 PolarHBondContact O-N 3.33Å; A467-V471 VanDerWaalsContact O-CG2 3.32Å; A467-V471 WeakPolarHBondContact O-CG2 3.33Å; A467-V471 PolarHBondContact O-N 2.95Å |
| 468 | Q | 87.2 | Confident | 82.8 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 178.7 | -70.1 | -65.9 | -57.8 | 0 | 0 | 111.9 | E411 H447 V453 W464 R465 I470 V471 D472 | E411-Q468 PolarHBondContact OE1-NE2 3.22Å; E411-Q468 PolarHBondContact OE2-NE2 3.09Å; H447-Q468 PolarHBondContact NE2-NE2 2.82Å; H447-Q468 PolarHBondContact NE2-OE1 2.76Å; V453-Q468 HydrophobicContact CB-CB 4.47Å; V453-Q468 HydrophobicContact CG2-CB 3.97Å; W464-Q468 HydrophobicContact CE3-CG 4.2Å; W464-Q468 WeakPolarHBondContact O-CG 3.43Å; W464-Q468 PolarHBondContact O-N 2.74Å; R465-Q468 PolarHBondContact O-N 2.8Å; Q468-I470 VanDerWaalsContact C-N 3.28Å; Q468-I470 PolarHBondContact O-N 3.25Å; Q468-V471 CarbonylContact O-C 3.54Å; Q468-V471 PolarHBondContact O-N 3.42Å; Q468-D472 WeakPolarHBondContact O-CB 3.16Å; Q468-D472 PolarHBondContact O-N 2.99Å |
| 469 | A | 85.9 | Confident | 82.2 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.1 | -37.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V453 D457 I458 R465 A467 S473 | V453-A469 HydrophobicContact CG1-CB 3.56Å; D457-A469 HydrophobicContact CB-CB 4.05Å; I458-A469 HydrophobicContact CB-CB 4.34Å; I458-A469 HydrophobicContact CG1-CB 3.49Å; I458-A469 VanDerWaalsContact CG1-CB 3.49Å; R465-A469 VanDerWaalsContact O-CB 3.28Å; R465-A469 WeakPolarHBondContact O-CB 3.39Å; R465-A469 PolarHBondContact O-N 3.07Å; A467-A469 PolarHBondContact O-N 3.14Å; A469-S473 VanDerWaalsContact O-CB 3.29Å; A469-S473 WeakPolarHBondContact O-CB 3.45Å; A469-S473 PolarHBondContact O-N 3.47Å; A469-S473 PolarHBondContact O-OG 3.22Å |
| 470 | I | 88 | Confident | 81.3 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 175.6 | -67.4 | 163.6 | 0 | 0 | 0 | 110.5 | L391 I394 L395 T400 V404 V408 I458 A466 A467 Q468 F474 | L391-I470 HydrophobicContact CD2-CG2 4.1Å; I394-I470 HydrophobicContact CG2-CG1 4.5Å; I394-I470 HydrophobicContact CG2-CG2 4.05Å; L395-I470 HydrophobicContact CD2-CD1 4.05Å; T400-I470 HydrophobicContact CG2-CD1 4.16Å; V404-I470 HydrophobicContact CG1-CD1 4.17Å; V408-I470 HydrophobicContact CB-CG2 4.44Å; V408-I470 HydrophobicContact CG1-CG2 3.65Å; V408-I470 HydrophobicContact CG2-CB 3.94Å; V408-I470 HydrophobicContact CG2-CD1 4.04Å; V408-I470 HydrophobicContact CG2-CG2 3.85Å; I458-I470 HydrophobicContact CG1-CG1 4.41Å; I458-I470 HydrophobicContact CG2-CD1 4.39Å; I458-I470 HydrophobicContact CG2-CG1 3.92Å; A466-I470 WeakPolarHBondContact O-CD1 3.41Å; A466-I470 WeakPolarHBondContact O-CG1 3.23Å; A466-I470 PolarHBondContact O-N 3.12Å; A467-I470 PolarHBondContact O-N 3.33Å; Q468-I470 VanDerWaalsContact C-N 3.28Å; Q468-I470 PolarHBondContact O-N 3.25Å; I470-F474 VanDerWaalsContact O-CB 3.32Å; I470-F474 WeakPolarHBondContact O-CB 3.36Å; I470-F474 PolarHBondContact O-N 3.2Å |
| 471 | V | 87.6 | Confident | 80.1 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.1 | -41.9 | -179.7 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | V408 E411 L415 A467 Q468 F474 L475 | V408-V471 HydrophobicContact CG2-CG2 4.35Å; E411-V471 HydrophobicContact CB-CG1 4.13Å; E411-V471 HydrophobicContact CB-CG2 3.65Å; E411-V471 HydrophobicContact CG-CG2 4.42Å; E411-V471 WeakPolarHBondContact OE2-CG2 3.49Å; L415-V471 HydrophobicContact CD1-CG1 3.54Å; L415-V471 HydrophobicContact CG-CG1 4.48Å; A467-V471 VanDerWaalsContact O-CG2 3.32Å; A467-V471 WeakPolarHBondContact O-CG2 3.33Å; A467-V471 PolarHBondContact O-N 2.95Å; Q468-V471 CarbonylContact O-C 3.54Å; Q468-V471 PolarHBondContact O-N 3.42Å; V471-F474 CarbonylContact O-C 3.59Å; V471-F474 WeakPolarHBondContact O-CA 3.06Å; V471-F474 VanDerWaalsContact O-CB 3.32Å; V471-F474 WeakPolarHBondContact O-CB 3.47Å; V471-F474 PolarHBondContact O-N 3.33Å; V471-F474 VanDerWaalsContact O-N 3.15Å; V471-L475 PolarHBondContact O-N 3.34Å |
| 472 | D | 85.8 | Confident | 78.7 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.3 | -70.7 | -24.6 | 0 | 0 | 0 | 110.8 | Q468 F474 L475 E476 | Q468-D472 WeakPolarHBondContact O-CB 3.16Å; Q468-D472 PolarHBondContact O-N 2.99Å; D472-F474 PolarHBondContact O-N 2.89Å; D472-L475 PolarHBondContact O-N 2.94Å; D472-L475 VanDerWaalsContact O-N 3.1Å; D472-E476 PolarHBondContact O-N 3.33Å |
| 473 | S | 85.4 | Confident | 76.4 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -33.6 | 173.4 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | A469 K477 | A469-S473 VanDerWaalsContact O-CB 3.29Å; A469-S473 WeakPolarHBondContact O-CB 3.45Å; A469-S473 PolarHBondContact O-N 3.47Å; A469-S473 PolarHBondContact O-OG 3.22Å; S473-K477 WeakPolarHBondContact O-CB 3.22Å; S473-K477 WeakPolarHBondContact O-CG 3.34Å; S473-K477 PolarHBondContact O-N 3.15Å |
| 474 | F | 87.1 | Confident | 74.2 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.8 | -46.4 | 174.7 | 179 | -88.8 | 0 | 0 | 0 | 110.9 | A387 A390 L391 I394 V412 L415 I470 V471 D472 E476 K477 M478 | A387-F474 HydrophobicContact CB-CE2 4.08Å; A387-F474 HydrophobicContact CB-CZ 3.99Å; A390-F474 HydrophobicContact CB-CD2 3.87Å; A390-F474 HydrophobicContact CB-CE2 3.78Å; L391-F474 HydrophobicContact CD2-CD2 3.98Å; L391-F474 HydrophobicContact CG-CD2 3.98Å; L391-F474 HydrophobicContact CG-CE2 4.14Å; I394-F474 VanDerWaalsContact CD1-CA 3.44Å; I394-F474 HydrophobicContact CD1-CB 3.7Å; I394-F474 HydrophobicContact CD1-CD2 4.12Å; I394-F474 HydrophobicContact CD1-CG 4.41Å; V412-F474 HydrophobicContact CB-CE1 4.42Å; V412-F474 HydrophobicContact CB-CZ 4.49Å; V412-F474 HydrophobicContact CG1-CD1 4.42Å; V412-F474 HydrophobicContact CG1-CE1 3.77Å; V412-F474 HydrophobicContact CG1-CE2 3.91Å; V412-F474 HydrophobicContact CG1-CZ 3.47Å; V412-F474 VanDerWaalsContact CG1-CZ 3.47Å; V412-F474 HydrophobicContact CG2-CD1 3.95Å; V412-F474 HydrophobicContact CG2-CD2 4.12Å; V412-F474 HydrophobicContact CG2-CE1 4.14Å; V412-F474 HydrophobicContact CG2-CE2 4.29Å; V412-F474 HydrophobicContact CG2-CG 3.94Å; V412-F474 HydrophobicContact CG2-CZ 4.3Å; L415-F474 HydrophobicContact CD1-CD1 4.19Å; I470-F474 VanDerWaalsContact O-CB 3.32Å; I470-F474 WeakPolarHBondContact O-CB 3.36Å; I470-F474 PolarHBondContact O-N 3.2Å; V471-F474 CarbonylContact O-C 3.59Å; V471-F474 WeakPolarHBondContact O-CA 3.06Å; V471-F474 VanDerWaalsContact O-CB 3.32Å; V471-F474 WeakPolarHBondContact O-CB 3.47Å; V471-F474 PolarHBondContact O-N 3.33Å; V471-F474 VanDerWaalsContact O-N 3.15Å; D472-F474 PolarHBondContact O-N 2.89Å; F474-E476 PolarHBondContact O-N 3.4Å; F474-K477 PolarHBondContact O-N 3.45Å; F474-M478 HydrophobicContact CD1-CG 4.12Å; F474-M478 HydrophobicContact CD2-CG 4.34Å; F474-M478 HydrophobicContact CE1-CB 4.35Å; F474-M478 HydrophobicContact CE1-CE 4.45Å; F474-M478 HydrophobicContact CE1-CG 3.74Å; F474-M478 HydrophobicContact CE2-CG 4Å; F474-M478 HydrophobicContact CG-CG 4.4Å; F474-M478 HydrophobicContact CZ-CE 3.98Å; F474-M478 HydrophobicContact CZ-CG 3.68Å; F474-M478 HydrophobicContact CZ-SD 4.38Å; F474-M478 VanDerWaalsContact O-CB 3.24Å; F474-M478 WeakPolarHBondContact O-CB 3.31Å; F474-M478 WeakPolarHBondContact O-CG 3.44Å; F474-M478 PolarHBondContact O-N 3.33Å |
| 475 | L | 82.2 | Confident | 73.7 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 177.6 | -175 | 62.3 | 0 | 0 | 0 | 111.2 | L415 V471 D472 M478 A479 | L415-L475 HydrophobicContact CD1-CB 4.37Å; L415-L475 HydrophobicContact CD2-CD1 4.33Å; V471-L475 PolarHBondContact O-N 3.34Å; D472-L475 PolarHBondContact O-N 2.94Å; D472-L475 VanDerWaalsContact O-N 3.1Å; L475-M478 CarbonylContact O-C 3.59Å; L475-M478 PolarHBondContact O-N 3.34Å; L475-A479 WeakPolarHBondContact O-CA 3.41Å; L475-A479 WeakPolarHBondContact O-CB 3.41Å; L475-A479 PolarHBondContact O-N 3.42Å |
| 476 | E | 81 | Confident | 73.1 | Confident | 135 Ų | 135 | 55.8 Ų | 55.8 | 63% | 0.631 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 175.9 | -73.7 | -175.7 | 173.1 | 0 | 0 | 112.6 | D472 F474 M478 A479 P480 | D472-E476 PolarHBondContact O-N 3.33Å; F474-E476 PolarHBondContact O-N 3.4Å; E476-M478 VanDerWaalsContact C-N 3.33Å; E476-M478 PolarHBondContact O-N 2.83Å; E476-A479 PolarHBondContact O-N 3.11Å; E476-P480 VanDerWaalsContact O-CD 3.24Å; E476-P480 WeakPolarHBondContact O-CD 3.44Å |
| 477 | K | 80.7 | Confident | 72.5 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72 | -28.3 | 178.9 | -75.2 | 174.3 | -177 | 167.2 | 0 | 113.1 | I394 S473 F474 | I394-K477 HydrophobicContact CD1-CD 4.15Å; I394-K477 HydrophobicContact CG1-CD 3.67Å; S473-K477 WeakPolarHBondContact O-CB 3.22Å; S473-K477 WeakPolarHBondContact O-CG 3.34Å; S473-K477 PolarHBondContact O-N 3.15Å; F474-K477 PolarHBondContact O-N 3.45Å |
| 478 | M | 75.1 | Confident | 71.6 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -90.5 | -17.7 | 176.6 | -71.6 | -74 | -83.4 | 0 | 0 | 112.3 | A390 L416 F474 L475 E476 P480 R481 V482 | A390-M478 HydrophobicContact CB-CG 4.37Å; A390-M478 HydrophobicContact CB-SD 4.38Å; L416-M478 HydrophobicContact CD2-CE 3.93Å; F474-M478 HydrophobicContact CD1-CG 4.12Å; F474-M478 HydrophobicContact CD2-CG 4.34Å; F474-M478 HydrophobicContact CE1-CB 4.35Å; F474-M478 HydrophobicContact CE1-CE 4.45Å; F474-M478 HydrophobicContact CE1-CG 3.74Å; F474-M478 HydrophobicContact CE2-CG 4Å; F474-M478 HydrophobicContact CG-CG 4.4Å; F474-M478 HydrophobicContact CZ-CE 3.98Å; F474-M478 HydrophobicContact CZ-CG 3.68Å; F474-M478 HydrophobicContact CZ-SD 4.38Å; F474-M478 VanDerWaalsContact O-CB 3.24Å; F474-M478 WeakPolarHBondContact O-CB 3.31Å; F474-M478 WeakPolarHBondContact O-CG 3.44Å; F474-M478 PolarHBondContact O-N 3.33Å; L475-M478 CarbonylContact O-C 3.59Å; L475-M478 PolarHBondContact O-N 3.34Å; E476-M478 VanDerWaalsContact C-N 3.33Å; E476-M478 PolarHBondContact O-N 2.83Å; M478-P480 VanDerWaalsContact C-CD 3.47Å; M478-P480 VanDerWaalsContact C-N 3.34Å; M478-R481 CarbonylContact O-C 3.48Å; M478-R481 VanDerWaalsContact O-C 3.32Å; M478-R481 VanDerWaalsContact O-CA 3.27Å; M478-R481 WeakPolarHBondContact O-CA 3.47Å; M478-R481 WeakPolarHBondContact O-CB 3.47Å; M478-R481 PolarHBondContact O-N 3.12Å; M478-V482 HydrophobicContact CB-CB 4.5Å; M478-V482 HydrophobicContact CB-CG2 3.84Å; M478-V482 HydrophobicContact CE-CG2 4.09Å; M478-V482 VanDerWaalsContact O-CB 3.32Å; M478-V482 WeakPolarHBondContact O-CB 3.45Å; M478-V482 WeakPolarHBondContact O-CG2 3.48Å; M478-V482 PolarHBondContact O-N 3.31Å |
| 479 | A | 62.5 | Low | 70.6 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.5 | -39.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | L475 E476 R481 V482 R483 | L475-A479 WeakPolarHBondContact O-CA 3.41Å; L475-A479 WeakPolarHBondContact O-CB 3.41Å; L475-A479 PolarHBondContact O-N 3.42Å; E476-A479 PolarHBondContact O-N 3.11Å; A479-R481 PolarHBondContact O-N 3.28Å; A479-V482 PolarHBondContact O-N 2.85Å; A479-R483 HydrophobicContact CB-CG 4.21Å; A479-R483 WeakPolarHBondContact O-CA 3.46Å; A479-R483 VanDerWaalsContact O-CB 3.29Å; A479-R483 WeakPolarHBondContact O-CB 3.45Å; A479-R483 PolarHBondContact O-N 3.12Å |
| 480 | P | 55.9 | Low | 69.6 | Low | 113 Ų | 113 | 69.3 Ų | 69.3 | 73% | 0.734 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.7 | -8.7 | 171.7 | -20.2 | 31.2 | 0 | 0 | 0 | 114.7 | E476 M478 | E476-P480 VanDerWaalsContact O-CD 3.24Å; E476-P480 WeakPolarHBondContact O-CD 3.44Å; M478-P480 VanDerWaalsContact C-CD 3.47Å; M478-P480 VanDerWaalsContact C-N 3.34Å |
| 481 | R | 50.8 | Low | 68.3 | Low | 182 Ų | 182 | 74.1 Ų | 74.1 | 69% | 0.687 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -121.2 | -10.7 | -179.9 | -62.6 | -178.2 | 175.1 | 179.6 | -0.4 | 113.5 | M478 A479 | M478-R481 CarbonylContact O-C 3.48Å; M478-R481 VanDerWaalsContact O-C 3.32Å; M478-R481 VanDerWaalsContact O-CA 3.27Å; M478-R481 WeakPolarHBondContact O-CA 3.47Å; M478-R481 WeakPolarHBondContact O-CB 3.47Å; M478-R481 PolarHBondContact O-N 3.12Å; A479-R481 PolarHBondContact O-N 3.28Å |
| 482 | V | 49.6 | Very low | 66.8 | Low | 40 Ų | 40 | 79.3 Ų | 79.3 | 24% | 0.242 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -126.2 | -24.6 | -171.2 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | M478 A479 | M478-V482 HydrophobicContact CB-CB 4.5Å; M478-V482 HydrophobicContact CB-CG2 3.84Å; M478-V482 HydrophobicContact CE-CG2 4.09Å; M478-V482 VanDerWaalsContact O-CB 3.32Å; M478-V482 WeakPolarHBondContact O-CB 3.45Å; M478-V482 WeakPolarHBondContact O-CG2 3.48Å; M478-V482 PolarHBondContact O-N 3.31Å; A479-V482 PolarHBondContact O-N 2.85Å |
| 483 | R | 33.3 | Very low | 65.2 | Low | 179 Ų | 179 | 82.8 Ų | 82.8 | 68% | 0.675 | 41% | 0.413 | S | S | * | . | trans | -84.7 | 144.9 | 156.6 | -65.3 | -169.2 | -164.6 | -165.5 | 5.3 | 108.7 | A479 | A479-R483 HydrophobicContact CB-CG 4.21Å; A479-R483 WeakPolarHBondContact O-CA 3.46Å; A479-R483 VanDerWaalsContact O-CB 3.29Å; A479-R483 WeakPolarHBondContact O-CB 3.45Å; A479-R483 PolarHBondContact O-N 3.12Å | ||
| 484 | P | 39.1 | Very low | 63.4 | Low | 165 Ų | 165 | 89.9 Ų | 89.9 | 100% | 1.071 | 45% | 0.448 | S | S | * | . | trans | -57.1 | 0 | -179.2 | 24.2 | -34.6 | 0 | 0 | 0 | 113.5 | I424 | I424-P484 HydrophobicContact CD1-CB 3.84Å; I424-P484 VanDerWaalsContact CD1-CD 3.49Å; I424-P484 HydrophobicContact CD1-CG 3.45Å; I424-P484 VanDerWaalsContact CD1-CG 3.45Å |
Retrieved 484 of 484 residues in 143.4 ms
(Link to these results)