| 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 | 46.8 | Very low | 53.4 | Low | 238 Ų | 238 | 135.9 Ų | 135.9 | 100% | 1.172 | 70% | 0.703 | S | S | * | * | 0 | 110.2 | 0 | -67.2 | 174.6 | 177.6 | 0 | 0 | 107.9 | |||||
| 2 | L | 51.1 | Low | 53.4 | Low | 165 Ų | 165 | 133.7 Ų | 133.7 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | trans | -155.5 | 35.9 | -175.8 | -146 | 81.9 | 0 | 0 | 0 | 118.5 | ||||
| 3 | P | 53.8 | Low | 53.1 | Low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -130.9 | 63.8 | 165.4 | 41.1 | -29.2 | 0 | 0 | 0 | 114.3 | ||
| 4 | R | 57.6 | Low | 52.9 | Low | 224 Ų | 224 | 125.5 Ų | 125.5 | 85% | 0.845 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -139.8 | -3.4 | 170.2 | -77.2 | -163.7 | 173.2 | -179.1 | -2.4 | 116.9 | ||
| 5 | L | 55.5 | Low | 52.5 | Low | 130 Ų | 130 | 125.9 Ų | 125.9 | 68% | 0.681 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -95.5 | -17.5 | -176.5 | -69.6 | 169.2 | 0 | 0 | 0 | 114.8 | F8 L9 | L5-F8 PolarHBondContact O-N 3.1Å; L5-L9 PolarHBondContact O-N 3.37Å |
| 6 | L | 55.1 | Low | 52.2 | Low | 132 Ų | 132 | 123.5 Ų | 123.5 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -54.4 | -45.7 | 179.3 | -93.2 | 153.5 | 0 | 0 | 0 | 115.8 | F8 L9 V10 | L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 2.87Å; L6-L9 PolarHBondContact O-N 3.1Å; L6-V10 PolarHBondContact O-N 3.34Å |
| 7 | P | 54 | Low | 52.1 | Low | 90 Ų | 90 | 125.5 Ų | 125.5 | 58% | 0.584 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.9 | -29.3 | -177.8 | 26.1 | -34.3 | 0 | 0 | 0 | 113.2 | S11 | P7-S11 PolarHBondContact O-N 3.01Å; P7-S11 PolarHBondContact O-OG 2.88Å |
| 8 | F | 53 | Low | 51.8 | Low | 142 Ų | 142 | 121.9 Ų | 121.9 | 62% | 0.623 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73 | -34.6 | 176.9 | -83 | -80.2 | 0 | 0 | 0 | 112.9 | L5 L6 S11 I12 | L5-F8 PolarHBondContact O-N 3.1Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 2.87Å; F8-S11 PolarHBondContact O-N 3.47Å; F8-S11 PolarHBondContact O-OG 2.77Å; F8-I12 WeakPolarHBondContact O-CD1 3.28Å; F8-I12 VanDerWaalsContact O-CG1 3.3Å; F8-I12 WeakPolarHBondContact O-CG1 3.46Å; F8-I12 PolarHBondContact O-N 3.03Å; F8-I12 VanDerWaalsContact O-N 3.12Å |
| 9 | L | 53.4 | Low | 51.3 | Low | 107 Ų | 107 | 125.9 Ų | 125.9 | 56% | 0.56 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.7 | -40.4 | 176.6 | -70.5 | 170.4 | 0 | 0 | 0 | 111.4 | L5 L6 I12 S13 | L5-L9 PolarHBondContact O-N 3.37Å; L6-L9 PolarHBondContact O-N 3.1Å; L9-I12 PolarHBondContact O-N 3.19Å; L9-S13 PolarHBondContact O-N 3.44Å; L9-S13 PolarHBondContact O-OG 2.87Å |
| 10 | V | 54.5 | Low | 50.8 | Low | 99 Ų | 99 | 130 Ų | 130 | 60% | 0.6 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64 | -43 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | L6 I12 S13 S14 | L6-V10 PolarHBondContact O-N 3.34Å; V10-I12 PolarHBondContact O-N 3.44Å; V10-S13 PolarHBondContact O-N 3.06Å; V10-S14 PolarHBondContact O-N 3.45Å; V10-S14 PolarHBondContact O-OG 2.92Å |
| 11 | S | 52.3 | Low | 50.4 | Low | 51 Ų | 51 | 127 Ų | 127 | 36% | 0.357 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -65.9 | -37.6 | 178.8 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | P7 F8 S14 L15 | P7-S11 PolarHBondContact O-N 3.01Å; P7-S11 PolarHBondContact O-OG 2.88Å; F8-S11 PolarHBondContact O-N 3.47Å; F8-S11 PolarHBondContact O-OG 2.77Å; S11-S14 WeakPolarHBondContact CA-OG 3.29Å; S11-S14 PolarHBondContact O-N 3.36Å; S11-S14 PolarHBondContact O-OG 2.88Å; S11-L15 PolarHBondContact O-N 3.35Å; S11-L15 VanDerWaalsContact O-N 3.12Å |
| 12 | I | 54.3 | Low | 50.1 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 56% | 0.559 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -65.3 | -43.8 | 173.7 | -67.7 | 163.9 | 0 | 0 | 0 | 111 | F8 L9 V10 S14 L15 S16 | F8-I12 WeakPolarHBondContact O-CD1 3.28Å; F8-I12 VanDerWaalsContact O-CG1 3.3Å; F8-I12 WeakPolarHBondContact O-CG1 3.46Å; F8-I12 PolarHBondContact O-N 3.03Å; F8-I12 VanDerWaalsContact O-N 3.12Å; L9-I12 PolarHBondContact O-N 3.19Å; V10-I12 PolarHBondContact O-N 3.44Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.4Å; I12-L15 PolarHBondContact O-N 2.88Å; I12-L15 VanDerWaalsContact O-N 3.13Å; I12-S16 PolarHBondContact O-N 2.88Å; I12-S16 PolarHBondContact O-OG 3.34Å |
| 13 | S | 49.7 | Very low | 50.1 | Low | 76 Ų | 76 | 121 Ų | 121 | 53% | 0.531 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -61.6 | -32.6 | 175.1 | -64.4 | 0 | 0 | 0 | 0 | 113.3 | L9 V10 S16 | L9-S13 PolarHBondContact O-N 3.44Å; L9-S13 PolarHBondContact O-OG 2.87Å; V10-S13 PolarHBondContact O-N 3.06Å; S13-S16 WeakPolarHBondContact CA-OG 3.3Å; S13-S16 PolarHBondContact O-OG 3.19Å |
| 14 | S | 49.2 | Very low | 50.5 | Low | 77 Ų | 77 | 120 Ų | 120 | 54% | 0.538 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -73.9 | -29.3 | 173.9 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | V10 S11 I12 | V10-S14 PolarHBondContact O-N 3.45Å; V10-S14 PolarHBondContact O-OG 2.92Å; S11-S14 WeakPolarHBondContact CA-OG 3.29Å; S11-S14 PolarHBondContact O-N 3.36Å; S11-S14 PolarHBondContact O-OG 2.88Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.4Å |
| 15 | L | 47.3 | Very low | 51.6 | Low | 132 Ų | 132 | 115.3 Ų | 115.3 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.2 | -31.6 | 174.6 | -98.2 | 69.2 | 0 | 0 | 0 | 112.7 | S11 I12 L17 G18 | S11-L15 PolarHBondContact O-N 3.35Å; S11-L15 VanDerWaalsContact O-N 3.12Å; I12-L15 PolarHBondContact O-N 2.88Å; I12-L15 VanDerWaalsContact O-N 3.13Å; L15-L17 PolarHBondContact O-N 2.96Å; L15-L17 VanDerWaalsContact O-N 3.17Å; L15-G18 PolarHBondContact O-N 3.41Å; L15-G18 VanDerWaalsContact O-N 3.11Å |
| 16 | S | 47.8 | Very low | 53.3 | Low | 87 Ų | 87 | 110.1 Ų | 110.1 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -15.1 | 175.7 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | I12 S13 G18 | I12-S16 PolarHBondContact O-N 2.88Å; I12-S16 PolarHBondContact O-OG 3.34Å; S13-S16 WeakPolarHBondContact CA-OG 3.3Å; S13-S16 PolarHBondContact O-OG 3.19Å; S16-G18 VanDerWaalsContact C-N 3.33Å |
| 17 | L | 50.8 | Low | 55.1 | Low | 158 Ų | 158 | 106.4 Ų | 106.4 | 83% | 0.827 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 1.7 | 175.7 | -130.7 | 71.9 | 0 | 0 | 0 | 113.7 | L15 | L15-L17 PolarHBondContact O-N 2.96Å; L15-L17 VanDerWaalsContact O-N 3.17Å |
| 18 | G | 46.8 | Very low | 57 | Low | 61 Ų | 61 | 104.2 Ų | 104.2 | 63% | 0.629 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -89.9 | -18.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116 | L15 S16 R20 | L15-G18 PolarHBondContact O-N 3.41Å; L15-G18 VanDerWaalsContact O-N 3.11Å; S16-G18 VanDerWaalsContact C-N 3.33Å; G18-R20 PolarHBondContact O-N 3.35Å |
| 19 | F | 42.1 | Very low | 59.1 | Low | 197 Ų | 197 | 97.5 Ų | 97.5 | 86% | 0.864 | 56% | 0.559 | S | S | * | * | trans | -98.2 | 78.5 | 178.8 | -85.4 | -87.4 | 0 | 0 | 0 | 111.8 | A21 | F19-A21 PolarHBondContact O-N 3.48Å; F19-A21 VanDerWaalsContact O-N 3.11Å | ||
| 20 | R | 41.5 | Very low | 61 | Low | 207 Ų | 207 | 96.9 Ų | 96.9 | 78% | 0.781 | 56% | 0.563 | S | S | * | * | trans | -64.2 | 107.3 | 153.8 | 176.2 | -176.7 | -78.2 | -166 | -4.5 | 106.7 | G18 H22 | G18-R20 PolarHBondContact O-N 3.35Å; R20-H22 PolarHBondContact O-N 2.95Å | ||
| 21 | A | 41.5 | Very low | 63 | Low | 68 Ų | 68 | 94 Ų | 94 | 56% | 0.562 | 55% | 0.547 | S | S | * | . | trans | -58 | 131.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | F19 G23 | F19-A21 PolarHBondContact O-N 3.48Å; F19-A21 VanDerWaalsContact O-N 3.11Å; A21-G23 PolarHBondContact O-N 3.25Å | ||
| 22 | H | 41.9 | Very low | 65.2 | Low | 208 Ų | 208 | 91.9 Ų | 91.9 | 96% | 0.963 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -75.1 | 47.2 | 175.7 | -73.3 | -85.9 | 0 | 0 | 0 | 112 | R20 | R20-H22 PolarHBondContact O-N 2.95Š|
| 23 | G | 51 | Low | 67.3 | Low | 69 Ų | 69 | 91.6 Ų | 91.6 | 71% | 0.711 | 52% | 0.524 | S | S | * | . | trans | -136.2 | 28.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A21 | A21-G23 PolarHBondContact O-N 3.25Š| ||
| 24 | T | 61.5 | Low | 69.5 | Low | 95 Ų | 95 | 89.4 Ų | 89.4 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | trans | -116.8 | 19.8 | -179 | 63.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 25 | E | 79.9 | Confident | 71.8 | Confident | 126 Ų | 126 | 87.9 Ų | 87.9 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -118 | 129 | 175 | -172.9 | 170.1 | -172.5 | 0 | 0 | 107.7 | P27 N112 | E25-P27 WeakPolarHBondContact O-CD 3.32Å; E25-N112 PolarHBondContact OE1-ND2 2.98Å |
| 26 | L | 91 | Very high | 74.2 | Confident | 21 Ų | 21 | 81.7 Ų | 81.7 | 11% | 0.11 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 121.3 | -178.7 | -172.6 | 72.4 | 0 | 0 | 0 | 108.6 | I48 A104 D106 Q109 S111 | L26-I48 HydrophobicContact CD1-CD1 3.94Å; L26-I48 HydrophobicContact CG-CD1 4.34Å; L26-A104 HydrophobicContact CD2-CB 3.9Å; L26-A104 HydrophobicContact CG-CB 4.43Å; L26-D106 HydrophobicContact CD1-CB 4.02Å; L26-D106 HydrophobicContact CD2-CB 4.18Å; L26-Q109 HydrophobicContact CB-CB 4.34Å; L26-S111 VanDerWaalsContact O-CA 3.29Å; L26-S111 WeakPolarHBondContact O-CA 3.08Å; L26-S111 WeakPolarHBondContact O-CB 3.49Å |
| 27 | P | 93.5 | Very high | 76.5 | Confident | 54 Ų | 54 | 80 Ų | 80 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 143.2 | -179.3 | 21.9 | -31.3 | 0 | 0 | 0 | 111 | E25 I48 P49 S111 | E25-P27 WeakPolarHBondContact O-CD 3.32Å; P27-I48 HydrophobicContact CG-CB 4.24Å; P27-I48 HydrophobicContact CG-CD1 4.48Å; P27-I48 WeakPolarHBondContact O-CG2 3.34Å; P27-P49 HydrophobicContact CB-CG 4.1Å; P27-P49 HydrophobicContact CG-CG 3.92Å; P27-S111 WeakPolarHBondContact O-CB 3.33Å |
| 28 | S | 94.7 | Very high | 78.7 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 32% | 0.315 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 158.2 | 176.1 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | S30 S111 N112 T114 | S28-S30 PolarHBondContact O-N 2.99Å; S28-S111 WeakPolarHBondContact CA-OG 3.47Å; S28-N112 VanDerWaalsContact CB-O 3.25Å; S28-N112 WeakPolarHBondContact CB-O 3.19Å; S28-T114 WeakPolarHBondContact CB-OG1 3.44Å |
| 29 | P | 95.7 | Very high | 81.1 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -50.3 | 133.5 | 169.5 | -26.8 | 35 | 0 | 0 | 0 | 110.9 | S31 V32 W45 M46 Y57 V102 T114 | P29-S31 VanDerWaalsContact C-N 3.33Å; P29-S31 PolarHBondContact O-N 3.5Å; P29-V32 HydrophobicContact CB-CG2 4.32Å; P29-W45 HydrophobicContact CB-CB 4.22Å; P29-M46 WeakPolarHBondContact CB-O 3.29Å; P29-Y57 HydrophobicContact CG-CD1 4.17Å; P29-Y57 HydrophobicContact CG-CE1 4.03Å; P29-V102 HydrophobicContact CG-CB 4.4Å; P29-V102 HydrophobicContact CG-CG1 4.13Å; P29-T114 WeakPolarHBondContact O-CB 3.29Å; P29-T114 VanDerWaalsContact O-CG2 3.3Å; P29-T114 WeakPolarHBondContact O-CG2 3.2Å; P29-T114 PolarHBondContact O-OG1 2.8Å |
| 30 | S | 94.6 | Very high | 83.7 | Confident | 94 Ų | 94 | 64.6 Ų | 64.6 | 66% | 0.657 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -72 | -27.3 | -175.4 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | S28 M46 | S28-S30 PolarHBondContact O-N 2.99Å; S30-M46 WeakPolarHBondContact OG-CB 3.23Å |
| 31 | S | 96.6 | Very high | 86.3 | Confident | 37 Ų | 37 | 54.8 Ų | 54.8 | 26% | 0.259 | 31% | 0.311 | S | S | . | . | trans | -149.8 | 156.1 | 171.2 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | P29 W33 W45 M46 | P29-S31 VanDerWaalsContact C-N 3.33Å; P29-S31 PolarHBondContact O-N 3.5Å; S31-W33 WeakPolarHBondContact OG-CZ3 3.36Å; S31-W45 VanDerWaalsContact O-CA 3.25Å; S31-W45 WeakPolarHBondContact O-CA 3.49Å; S31-W45 WeakPolarHBondContact O-CB 3.35Å; S31-M46 PolarHBondContact O-N 3.48Å; S31-M46 VanDerWaalsContact O-N 3.11Å; S31-M46 WeakPolarHBondContact OG-CG 3.4Å | ||
| 32 | V | 97.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126.4 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | P29 L43 R44 W45 V102 T114 T116 | P29-V32 HydrophobicContact CB-CG2 4.32Å; V32-L43 HydrophobicContact CG1-CD1 3.89Å; V32-L43 HydrophobicContact CG1-CD2 4.18Å; V32-L43 HydrophobicContact CG1-CG 4.14Å; V32-R44 WeakPolarHBondContact CA-O 3.43Å; V32-W45 HydrophobicContact CB-CB 4.49Å; V32-W45 HydrophobicContact CG2-CB 3.89Å; V32-V102 HydrophobicContact CG1-CG2 3.76Å; V32-V102 HydrophobicContact CG2-CB 3.9Å; V32-V102 HydrophobicContact CG2-CG2 3.94Å; V32-T114 HydrophobicContact CB-CG2 4.31Å; V32-T114 HydrophobicContact CG2-CG2 3.62Å; V32-T116 HydrophobicContact CG1-CG2 3.85Å; V32-T116 WeakPolarHBondContact O-CA 3.35Å |
| 33 | W | 97.8 | Very high | 91.6 | Very high | 102 Ų | 102 | 43 Ų | 43 | 39% | 0.386 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 165 | -176.9 | 69.2 | 100.5 | 0 | 0 | 0 | 111.8 | S31 L43 R44 M46 | S31-W33 WeakPolarHBondContact OG-CZ3 3.36Å; W33-L43 WeakPolarHBondContact O-CD1 3.47Å; W33-R44 HydrophobicContact CD2-CB 4.12Å; W33-R44 HydrophobicContact CH2-CB 4.11Å; W33-R44 HydrophobicContact CZ2-CB 3.62Å; W33-R44 PolarHBondContact N-O 3.42Å; W33-R44 PolarHBondContact O-N 3.49Å; W33-R44 VanDerWaalsContact O-O 3.13Å; W33-M46 HydrophobicContact CH2-CG 4.34Å; W33-M46 HydrophobicContact CH2-SD 4.18Å; W33-M46 HydrophobicContact CZ3-CG 4.06Å; W33-M46 HydrophobicContact CZ3-SD 4.49Å |
| 34 | F | 97.4 | Very high | 93.8 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136.1 | 169.8 | -77.5 | -91.8 | 0 | 0 | 0 | 110.3 | I42 L43 L61 L85 A100 T116 F120 | F34-I42 CarbonylContact C-O 3.55Å; F34-I42 WeakPolarHBondContact CA-O 3.43Å; F34-L43 HydrophobicContact CD1-CD1 4.17Å; F34-L43 HydrophobicContact CD2-CD1 3.83Å; F34-L43 HydrophobicContact CE1-CB 4.46Å; F34-L43 HydrophobicContact CE1-CD1 4.04Å; F34-L43 HydrophobicContact CE2-CD1 3.67Å; F34-L43 HydrophobicContact CG-CD1 4.1Å; F34-L43 HydrophobicContact CZ-CD1 3.79Å; F34-L61 HydrophobicContact CZ-CD1 4.45Å; F34-L85 HydrophobicContact CE1-CB 4.41Å; F34-L85 HydrophobicContact CE1-CD1 3.78Å; F34-L85 HydrophobicContact CZ-CD1 3.85Å; F34-A100 HydrophobicContact CE2-CB 3.79Å; F34-A100 HydrophobicContact CZ-CB 3.81Å; F34-T116 HydrophobicContact CD2-CG2 4.04Å; F34-T116 HydrophobicContact CE2-CG2 3.96Å; F34-F120 HydrophobicContact CB-CD2 3.92Å; F34-F120 HydrophobicContact CB-CE2 4.08Å; F34-F120 HydrophobicContact CB-CG 4.41Å; F34-F120 AromaticContact CD1-CD1 3.88Å; F34-F120 HydrophobicContact CD1-CD1 3.88Å; F34-F120 HydrophobicContact CD1-CD2 4.24Å; F34-F120 AromaticContact CD1-CE1 3.86Å; F34-F120 HydrophobicContact CD1-CE1 3.86Å; F34-F120 HydrophobicContact CD1-CE2 4.25Å; F34-F120 HydrophobicContact CD1-CG 4.09Å; F34-F120 HydrophobicContact CD1-CZ 4.06Å; F34-F120 HydrophobicContact CD2-CB 3.62Å; F34-F120 HydrophobicContact CD2-CD1 4.09Å; F34-F120 AromaticContact CD2-CD2 3.99Å; F34-F120 HydrophobicContact CD2-CD2 3.99Å; F34-F120 AromaticContact CD2-CG 3.64Å; F34-F120 HydrophobicContact CD2-CG 3.64Å; F34-F120 AromaticContact CE1-CD1 3.65Å; F34-F120 HydrophobicContact CE1-CD1 3.65Å; F34-F120 AromaticContact CE1-CE1 3.8Å; F34-F120 HydrophobicContact CE1-CE1 3.8Å; F34-F120 HydrophobicContact CE1-CG 4.2Å; F34-F120 HydrophobicContact CE1-CZ 4.45Å; F34-F120 HydrophobicContact CE2-CB 3.57Å; F34-F120 AromaticContact CE2-CD1 3.88Å; F34-F120 HydrophobicContact CE2-CD1 3.88Å; F34-F120 AromaticContact CE2-CG 3.77Å; F34-F120 HydrophobicContact CE2-CG 3.77Å; F34-F120 HydrophobicContact CG-CB 4.29Å; F34-F120 HydrophobicContact CG-CD1 4.08Å; F34-F120 AromaticContact CG-CD2 3.8Å; F34-F120 HydrophobicContact CG-CD2 3.8Å; F34-F120 HydrophobicContact CG-CE1 4.37Å; F34-F120 HydrophobicContact CG-CE2 4.14Å; F34-F120 AromaticContact CG-CG 3.79Å; F34-F120 HydrophobicContact CG-CG 3.79Å; F34-F120 HydrophobicContact CG-CZ 4.41Å; F34-F120 HydrophobicContact CZ-CB 4.21Å; F34-F120 AromaticContact CZ-CD1 3.65Å; F34-F120 HydrophobicContact CZ-CD1 3.65Å; F34-F120 HydrophobicContact CZ-CE1 4.27Å; F34-F120 HydrophobicContact CZ-CG 4.04Å |
| 35 | E | 96.9 | Very high | 95.4 | Very high | 45 Ų | 45 | 39 Ų | 39 | 21% | 0.21 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 100 | 155.7 | -172.3 | -167.8 | 151.4 | 0 | 0 | 106.6 | R37 I42 R44 I126 | E35-R37 IonicContact OE1-CZ 2.78Å; E35-R37 VanDerWaalsContact OE1-CZ 3.27Å; E35-R37 IonicContact OE1-NH1 3.79Å; E35-R37 PolarHBondContact OE1-NH1 3.39Å; E35-R37 IonicContact OE1-NH2 3.18Å; E35-R37 PolarHBondContact OE1-NH2 2.88Å; E35-I42 PolarHBondContact N-O 3.28Å; E35-I42 WeakPolarHBondContact O-CB 3.49Å; E35-I42 PolarHBondContact O-N 2.95Å; E35-I42 VanDerWaalsContact O-N 3.14Å; E35-R44 IonicContact OE1-NH2 2.78Å; E35-R44 IonicContact OE2-CZ 2.66Å; E35-R44 IonicContact OE2-NE 3.68Å; E35-R44 PolarHBondContact OE2-NE 2.99Å; E35-R44 IonicContact OE2-NH2 3.23Å; E35-R44 PolarHBondContact OE2-NH2 3.37Å; E35-I126 HydrophobicContact CG-CD1 4.43Å |
| 36 | A | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q40 F120 V125 I126 | A36-Q40 CarbonylContact C-O 3.57Å; A36-Q40 VanDerWaalsContact CA-O 3.28Å; A36-Q40 WeakPolarHBondContact CA-O 3.31Å; A36-F120 HydrophobicContact CB-CE2 3.46Å; A36-F120 VanDerWaalsContact CB-CE2 3.46Å; A36-F120 HydrophobicContact CB-CZ 3.61Å; A36-V125 HydrophobicContact CB-CG2 4.28Å; A36-I126 WeakPolarHBondContact O-CB 3.48Å; A36-I126 WeakPolarHBondContact O-CG1 3.24Å; A36-I126 PolarHBondContact O-N 3.32Å |
| 37 | R | 96.9 | Very high | 96.3 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 19% | 0.192 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 176.8 | 162.2 | -68.1 | 175.7 | -174.8 | 81.6 | 12.1 | 108.4 | E35 F39 Q40 I126 T128 E218 | E35-R37 IonicContact OE1-CZ 2.78Å; E35-R37 VanDerWaalsContact OE1-CZ 3.27Å; E35-R37 IonicContact OE1-NH1 3.79Å; E35-R37 PolarHBondContact OE1-NH1 3.39Å; E35-R37 IonicContact OE1-NH2 3.18Å; E35-R37 PolarHBondContact OE1-NH2 2.88Å; R37-F39 PolarHBondContact O-N 3.28Å; R37-F39 VanDerWaalsContact O-N 3.15Å; R37-Q40 HydrophobicContact CB-CB 4.28Å; R37-Q40 PolarHBondContact N-O 2.88Å; R37-Q40 PolarHBondContact O-N 2.96Å; R37-I126 HydrophobicContact CG-CB 4.3Å; R37-T128 HydrophobicContact CG-CG2 3.99Å; R37-E218 IonicContact CZ-OE1 3.65Å; R37-E218 IonicContact CZ-OE2 2.71Å; R37-E218 IonicContact NE-OE1 3.51Å; R37-E218 IonicContact NE-OE2 3.12Å; R37-E218 PolarHBondContact NE-OE2 2.91Å; R37-E218 IonicContact NH2-OE1 2.73Å; R37-E218 PolarHBondContact NH2-OE1 3.42Å; R37-E218 IonicContact NH2-OE2 2.75Å; R37-E218 PolarHBondContact NH2-OE2 2.87Å |
| 38 | F | 96.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 120.7 | -179 | -169.4 | -112.6 | 0 | 0 | 0 | 110.8 | Q40 Y93 P148 P150 V153 D157 Y159 I162 F163 | F38-Q40 PolarHBondContact O-N 3.35Å; F38-Q40 VanDerWaalsContact O-N 3.11Å; F38-Y93 WeakPolarHBondContact CA-OH 3.4Å; F38-Y93 HydrophobicContact CD2-CE1 4.19Å; F38-Y93 AromaticContact CD2-CZ 3.9Å; F38-Y93 HydrophobicContact CE2-CE1 4.19Å; F38-Y93 HydrophobicContact CE2-CE2 4.47Å; F38-P148 HydrophobicContact CB-CB 4.22Å; F38-P148 HydrophobicContact CB-CG 3.71Å; F38-P148 HydrophobicContact CD1-CB 4.31Å; F38-P148 HydrophobicContact CD1-CG 3.92Å; F38-P148 WeakPolarHBondContact CD1-O 3.45Å; F38-P148 HydrophobicContact CG-CG 4.05Å; F38-P150 HydrophobicContact CD1-CG 4.4Å; F38-P150 VanDerWaalsContact O-CG 3.23Å; F38-P150 WeakPolarHBondContact O-CG 3.47Å; F38-V153 HydrophobicContact CE1-CG2 4.41Å; F38-D157 WeakPolarHBondContact CZ-O 3.21Å; F38-Y159 HydrophobicContact CB-CD2 4.42Å; F38-Y159 HydrophobicContact CD1-CD2 4.07Å; F38-Y159 AromaticContact CD2-CD2 3.89Å; F38-Y159 HydrophobicContact CD2-CD2 3.89Å; F38-Y159 HydrophobicContact CE1-CD2 4.3Å; F38-Y159 HydrophobicContact CE2-CD2 4.13Å; F38-Y159 AromaticContact CG-CD2 3.86Å; F38-Y159 HydrophobicContact CG-CD2 3.86Å; F38-Y159 HydrophobicContact CZ-CD2 4.33Å; F38-I162 HydrophobicContact CE2-CB 4.16Å; F38-I162 HydrophobicContact CE2-CG1 4.13Å; F38-I162 HydrophobicContact CE2-CG2 4.23Å; F38-I162 HydrophobicContact CZ-CG1 4.22Å; F38-F163 AromaticContact CD2-CE2 3.93Å; F38-F163 HydrophobicContact CD2-CE2 3.93Å; F38-F163 HydrophobicContact CE2-CE2 4Å |
| 39 | F | 96.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.7 | 42.6 | -170.9 | -74.7 | -85.5 | 0 | 0 | 0 | 114.7 | R37 T86 L90 Y93 P150 L152 V153 P154 D157 | R37-F39 PolarHBondContact O-N 3.28Å; R37-F39 VanDerWaalsContact O-N 3.15Å; F39-T86 WeakPolarHBondContact O-CG2 3.41Å; F39-L90 HydrophobicContact CD1-CD2 3.84Å; F39-L90 HydrophobicContact CE1-CB 4.39Å; F39-L90 HydrophobicContact CE1-CD2 4.08Å; F39-L90 WeakPolarHBondContact CE1-O 3.44Å; F39-Y93 HydrophobicContact CD1-CE2 4.06Å; F39-Y93 HydrophobicContact CD2-CD2 4.33Å; F39-Y93 AromaticContact CD2-CE2 3.61Å; F39-Y93 HydrophobicContact CD2-CE2 3.61Å; F39-Y93 AromaticContact CE1-CD2 3.94Å; F39-Y93 HydrophobicContact CE1-CD2 3.94Å; F39-Y93 AromaticContact CE1-CE2 3.77Å; F39-Y93 HydrophobicContact CE1-CE2 3.77Å; F39-Y93 AromaticContact CE2-CD2 3.55Å; F39-Y93 HydrophobicContact CE2-CD2 3.55Å; F39-Y93 AromaticContact CE2-CE2 3.29Å; F39-Y93 HydrophobicContact CE2-CE2 3.29Å; F39-Y93 AromaticContact CG-CE2 3.99Å; F39-Y93 HydrophobicContact CG-CE2 3.99Å; F39-Y93 AromaticContact CZ-CD2 3.31Å; F39-Y93 HydrophobicContact CZ-CD2 3.31Å; F39-Y93 AromaticContact CZ-CE2 3.37Å; F39-Y93 HydrophobicContact CZ-CE2 3.37Å; F39-Y93 HydrophobicContact CZ-CG 4.49Å; F39-Y93 PolarHBondContact N-OH 2.79Å; F39-Y93 VanDerWaalsContact N-OH 3.09Å; F39-P150 HydrophobicContact CB-CB 4.27Å; F39-P150 HydrophobicContact CB-CG 4.06Å; F39-L152 WeakPolarHBondContact CD1-O 3.31Å; F39-V153 HydrophobicContact CB-CG2 4.06Å; F39-V153 HydrophobicContact CD2-CB 4.44Å; F39-V153 HydrophobicContact CD2-CG1 4.25Å; F39-V153 HydrophobicContact CD2-CG2 3.81Å; F39-V153 HydrophobicContact CE2-CG1 4.09Å; F39-V153 HydrophobicContact CE2-CG2 4.46Å; F39-V153 HydrophobicContact CG-CG2 3.97Å; F39-P154 HydrophobicContact CE1-CG 3.9Å; F39-P154 VanDerWaalsContact CZ-CD 3.41Å; F39-P154 HydrophobicContact CZ-CG 4.14Å; F39-D157 HydrophobicContact CE2-CB 3.87Å; F39-D157 WeakPolarHBondContact CE2-O 3.5Å; F39-D157 HydrophobicContact CZ-CB 3.64Å |
| 40 | Q | 96.2 | Very high | 95.5 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 92.3 | 170.9 | -174.4 | -172.1 | 35.2 | 0 | 0 | 108.8 | A36 R37 F38 I42 | A36-Q40 CarbonylContact C-O 3.57Å; A36-Q40 VanDerWaalsContact CA-O 3.28Å; A36-Q40 WeakPolarHBondContact CA-O 3.31Å; R37-Q40 HydrophobicContact CB-CB 4.28Å; R37-Q40 PolarHBondContact N-O 2.88Å; R37-Q40 PolarHBondContact O-N 2.96Å; F38-Q40 PolarHBondContact O-N 3.35Å; F38-Q40 VanDerWaalsContact O-N 3.11Å; Q40-I42 HydrophobicContact CG-CD1 4.23Å; Q40-I42 HydrophobicContact CG-CG1 4.28Å |
| 41 | H | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 82.6 | -168 | -52.9 | 154 | 0 | 0 | 0 | 111.1 | L85 T86 T89 Y93 F120 | H41-L85 PolarHBondContact O-N 3.1Å; H41-T86 PolarHBondContact N-OG1 2.99Å; H41-T89 PolarHBondContact ND1-OG1 3.02Å; H41-Y93 AromaticContact NE2-CE2 3.99Å; H41-Y93 AromaticContact NE2-CZ 3.9Å; H41-Y93 PolarHBondContact NE2-OH 3.34Å; H41-F120 HydrophobicContact CB-CE1 4.02Å; H41-F120 HydrophobicContact CB-CZ 3.99Å; H41-F120 AromaticContact CD2-CZ 3.88Å; H41-F120 AromaticContact CG-CE1 3.98Å; H41-F120 AromaticContact CG-CZ 3.8Å |
| 42 | I | 96.7 | Very high | 94.4 | Very high | 28 Ų | 28 | 45.3 Ų | 45.3 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.6 | -176.8 | -57.2 | 174.4 | 0 | 0 | 0 | 109.7 | F34 E35 Q40 R44 | F34-I42 CarbonylContact C-O 3.55Å; F34-I42 WeakPolarHBondContact CA-O 3.43Å; E35-I42 PolarHBondContact N-O 3.28Å; E35-I42 WeakPolarHBondContact O-CB 3.49Å; E35-I42 PolarHBondContact O-N 2.95Å; E35-I42 VanDerWaalsContact O-N 3.14Å; Q40-I42 HydrophobicContact CG-CD1 4.23Å; Q40-I42 HydrophobicContact CG-CG1 4.28Å; I42-R44 HydrophobicContact CG2-CG 4.23Å |
| 43 | L | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 137 | 166.1 | -166.6 | 74.4 | 0 | 0 | 0 | 109.4 | V32 W33 F34 W45 V59 S82 C83 L85 A100 V102 T116 | V32-L43 HydrophobicContact CG1-CD1 3.89Å; V32-L43 HydrophobicContact CG1-CD2 4.18Å; V32-L43 HydrophobicContact CG1-CG 4.14Å; W33-L43 WeakPolarHBondContact O-CD1 3.47Å; F34-L43 HydrophobicContact CD1-CD1 4.17Å; F34-L43 HydrophobicContact CD2-CD1 3.83Å; F34-L43 HydrophobicContact CE1-CB 4.46Å; F34-L43 HydrophobicContact CE1-CD1 4.04Å; F34-L43 HydrophobicContact CE2-CD1 3.67Å; F34-L43 HydrophobicContact CG-CD1 4.1Å; F34-L43 HydrophobicContact CZ-CD1 3.79Å; L43-W45 HydrophobicContact CD2-CE3 4.28Å; L43-W45 HydrophobicContact CD2-CZ3 4.22Å; L43-W45 HydrophobicContact CG-CE3 4.32Å; L43-W45 HydrophobicContact CG-CZ3 4.43Å; L43-V59 HydrophobicContact CD2-CG1 3.54Å; L43-S82 CarbonylContact O-C 3.56Å; L43-S82 WeakPolarHBondContact O-CA 3.34Å; L43-S82 WeakPolarHBondContact O-CB 3.34Å; L43-C83 HydrophobicContact CB-CB 4.4Å; L43-C83 PolarHBondContact N-O 2.84Å; L43-C83 PolarHBondContact O-N 2.82Å; L43-L85 HydrophobicContact CB-CD1 3.95Å; L43-L85 HydrophobicContact CB-CG 4.27Å; L43-L85 HydrophobicContact CD2-CD1 4.22Å; L43-L85 HydrophobicContact CG-CD1 4.5Å; L43-A100 HydrophobicContact CD1-CB 3.53Å; L43-A100 HydrophobicContact CD2-CB 3.82Å; L43-A100 HydrophobicContact CG-CB 4.35Å; L43-V102 HydrophobicContact CD2-CG2 3.66Å; L43-T116 HydrophobicContact CD1-CG2 4.04Å |
| 44 | R | 97.4 | Very high | 93.3 | Very high | 76 Ų | 76 | 51.9 Ų | 51.9 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 158.5 | 171.9 | -62.6 | -162.4 | -170 | -81.9 | 3.7 | 111.3 | V32 W33 E35 I42 | V32-R44 WeakPolarHBondContact CA-O 3.43Å; W33-R44 HydrophobicContact CD2-CB 4.12Å; W33-R44 HydrophobicContact CH2-CB 4.11Å; W33-R44 HydrophobicContact CZ2-CB 3.62Å; W33-R44 PolarHBondContact N-O 3.42Å; W33-R44 PolarHBondContact O-N 3.49Å; W33-R44 VanDerWaalsContact O-O 3.13Å; E35-R44 IonicContact OE1-NH2 2.78Å; E35-R44 IonicContact OE2-CZ 2.66Å; E35-R44 IonicContact OE2-NE 3.68Å; E35-R44 PolarHBondContact OE2-NE 2.99Å; E35-R44 IonicContact OE2-NH2 3.23Å; E35-R44 PolarHBondContact OE2-NH2 3.37Å; I42-R44 HydrophobicContact CG2-CG 4.23Å |
| 45 | W | 96.4 | Very high | 93 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 158.9 | 175.4 | 56.3 | 93.4 | 0 | 0 | 0 | 111.4 | P29 S31 V32 L43 Y57 V59 A78 T80 L81 S82 C83 V102 | P29-W45 HydrophobicContact CB-CB 4.22Å; S31-W45 VanDerWaalsContact O-CA 3.25Å; S31-W45 WeakPolarHBondContact O-CA 3.49Å; S31-W45 WeakPolarHBondContact O-CB 3.35Å; V32-W45 HydrophobicContact CB-CB 4.49Å; V32-W45 HydrophobicContact CG2-CB 3.89Å; L43-W45 HydrophobicContact CD2-CE3 4.28Å; L43-W45 HydrophobicContact CD2-CZ3 4.22Å; L43-W45 HydrophobicContact CG-CE3 4.32Å; L43-W45 HydrophobicContact CG-CZ3 4.43Å; W45-Y57 AromaticContact CD1-CD1 3.87Å; W45-Y57 AromaticContact CD1-CE1 3.92Å; W45-Y57 AromaticContact CE2-CD2 3.97Å; W45-Y57 AromaticContact CE2-CG 3.75Å; W45-Y57 HydrophobicContact CZ2-CD2 4.06Å; W45-Y57 AromaticContact CZ2-CG 3.93Å; W45-Y57 HydrophobicContact CZ2-CG 3.93Å; W45-Y57 AromaticContact NE1-CD1 3.35Å; W45-Y57 VanDerWaalsContact NE1-CD1 3.35Å; W45-Y57 AromaticContact NE1-CD2 3.27Å; W45-Y57 VanDerWaalsContact NE1-CD2 3.27Å; W45-Y57 AromaticContact NE1-CE1 3.67Å; W45-Y57 AromaticContact NE1-CE2 3.62Å; W45-Y57 AromaticContact NE1-CG 3.14Å; W45-Y57 AromaticContact NE1-CZ 3.83Å; W45-V59 HydrophobicContact CH2-CG2 3.78Å; W45-V59 HydrophobicContact CZ3-CG2 3.94Å; W45-A78 HydrophobicContact CH2-CB 4.24Å; W45-A78 HydrophobicContact CZ2-CB 4.19Å; W45-T80 WeakPolarHBondContact CZ2-O 3.5Å; W45-L81 PolarHBondContact N-O 3.23Å; W45-S82 VanDerWaalsContact CH2-C 3.47Å; W45-C83 HydrophobicContact CH2-CB 3.81Å; W45-C83 HydrophobicContact CZ3-CB 3.7Å; W45-V102 HydrophobicContact CD2-CB 4.48Å; W45-V102 HydrophobicContact CD2-CG1 3.91Å; W45-V102 HydrophobicContact CD2-CG2 4.04Å; W45-V102 HydrophobicContact CE3-CG1 4.38Å; W45-V102 HydrophobicContact CE3-CG2 3.77Å; W45-V102 HydrophobicContact CG-CG1 4.07Å; W45-V102 HydrophobicContact CG-CG2 4.39Å; W45-V102 HydrophobicContact CZ2-CG1 4.47Å; W45-V102 HydrophobicContact CZ3-CG2 4.3Å |
| 46 | M | 95.3 | Very high | 92.8 | Very high | 87 Ų | 87 | 50.7 Ų | 50.7 | 43% | 0.429 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 146.1 | 171.7 | -70.7 | -61.2 | -68.9 | 0 | 0 | 110.9 | P29 S30 S31 W33 | P29-M46 WeakPolarHBondContact CB-O 3.29Å; S30-M46 WeakPolarHBondContact OG-CB 3.23Å; S31-M46 PolarHBondContact O-N 3.48Å; S31-M46 VanDerWaalsContact O-N 3.11Å; S31-M46 WeakPolarHBondContact OG-CG 3.4Å; W33-M46 HydrophobicContact CH2-CG 4.34Å; W33-M46 HydrophobicContact CH2-SD 4.18Å; W33-M46 HydrophobicContact CZ3-CG 4.06Å; W33-M46 HydrophobicContact CZ3-SD 4.49Å |
| 47 | S | 93.8 | Very high | 92.7 | Very high | 51 Ų | 51 | 50.7 Ų | 50.7 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 156.7 | 170.6 | 48.6 | 0 | 0 | 0 | 0 | 112 | Y57 | S47-Y57 WeakPolarHBondContact CA-OH 3.38Š|
| 48 | I | 93.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 148.6 | 171.2 | 68.1 | 167.8 | 0 | 0 | 0 | 111 | L26 P27 Q51 T55 Y57 A104 | L26-I48 HydrophobicContact CD1-CD1 3.94Å; L26-I48 HydrophobicContact CG-CD1 4.34Å; P27-I48 HydrophobicContact CG-CB 4.24Å; P27-I48 HydrophobicContact CG-CD1 4.48Å; P27-I48 WeakPolarHBondContact O-CG2 3.34Å; I48-Q51 HydrophobicContact CG1-CB 3.91Å; I48-Q51 HydrophobicContact CG1-CG 4.31Å; I48-Q51 PolarHBondContact O-N 2.96Å; I48-T55 HydrophobicContact CD1-CG2 3.81Å; I48-T55 HydrophobicContact CG1-CG2 4.3Å; I48-Y57 HydrophobicContact CG2-CE1 4.11Å; I48-Y57 PolarHBondContact N-OH 2.87Å; I48-A104 HydrophobicContact CD1-CB 4.1Å; I48-A104 HydrophobicContact CG2-CB 3.73Å |
| 49 | P | 89.3 | Confident | 92.6 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 57% | 0.565 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 140.3 | 170.9 | 27.5 | -33.9 | 0 | 0 | 0 | 110.2 | P27 Q51 | P27-P49 HydrophobicContact CB-CG 4.1Å; P27-P49 HydrophobicContact CG-CG 3.92Å; P49-Q51 VanDerWaalsContact C-N 3.31Å; P49-Q51 PolarHBondContact O-N 3.27Å |
| 50 | N | 84.1 | Confident | 92.6 | Very high | 168 Ų | 168 | 49.6 Ų | 49.6 | 90% | 0.898 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 36.1 | -176.9 | -52.2 | -31.4 | 0 | 0 | 0 | 114.3 | S52 | N50-S52 PolarHBondContact O-N 3.47Š|
| 51 | Q | 83.7 | Confident | 92.6 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 35% | 0.346 | 24% | 0.242 | S | C | . | . | trans | -51.8 | 128.1 | 173.9 | -175.1 | 173.3 | -22.5 | 0 | 0 | 111.7 | I48 P49 T55 Y57 | I48-Q51 HydrophobicContact CG1-CB 3.91Å; I48-Q51 HydrophobicContact CG1-CG 4.31Å; I48-Q51 PolarHBondContact O-N 2.96Å; P49-Q51 VanDerWaalsContact C-N 3.31Å; P49-Q51 PolarHBondContact O-N 3.27Å; Q51-T55 HydrophobicContact CG-CG2 3.88Å; Q51-Y57 PolarHBondContact OE1-OH 3.45Å | ||
| 52 | S | 85.1 | Confident | 92.6 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 26% | 0.259 | 25% | 0.253 | S | S | . | . | trans | -91.3 | 161.3 | 174.9 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | N50 S54 T55 D106 | N50-S52 PolarHBondContact O-N 3.47Å; S52-S54 PolarHBondContact O-N 2.99Å; S52-S54 PolarHBondContact OG-OG 3.49Å; S52-T55 PolarHBondContact N-OG1 3.41Å; S52-T55 VanDerWaalsContact N-OG1 3.1Å; S52-T55 VanDerWaalsContact O-CB 3.29Å; S52-T55 WeakPolarHBondContact O-CB 3.18Å; S52-T55 PolarHBondContact O-N 3.28Å; S52-T55 PolarHBondContact O-OG1 3.32Å; S52-T55 PolarHBondContact OG-N 2.87Å; S52-T55 PolarHBondContact OG-OG1 2.9Å; S52-D106 PolarHBondContact OG-OD1 3.11Å; S52-D106 VanDerWaalsContact OG-OD1 3.12Å; S52-D106 PolarHBondContact OG-OD2 2.81Å | ||
| 53 | E | 84.6 | Confident | 92.6 | Very high | 191 Ų | 191 | 51.1 Ų | 51.1 | 89% | 0.893 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.9 | 174.4 | -62.7 | -177.9 | 168.9 | 0 | 0 | 112.8 | ||
| 54 | S | 86.5 | Confident | 92.4 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -10.3 | 174.6 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | S52 Y56 D106 N107 | S52-S54 PolarHBondContact O-N 2.99Å; S52-S54 PolarHBondContact OG-OG 3.49Å; S54-Y56 PolarHBondContact O-N 2.86Å; S54-D106 VanDerWaalsContact C-OD1 3.23Å; S54-D106 VanDerWaalsContact CB-OD1 3.25Å; S54-D106 WeakPolarHBondContact CB-OD1 3.49Å; S54-D106 PolarHBondContact OG-OD1 2.95Å; S54-N107 PolarHBondContact OG-ND2 2.93Å; S54-N107 VanDerWaalsContact OG-ND2 3.12Å |
| 55 | T | 91.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | trans | -68.8 | 127.9 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | I48 Q51 S52 A104 V105 D106 | I48-T55 HydrophobicContact CD1-CG2 3.81Å; I48-T55 HydrophobicContact CG1-CG2 4.3Å; Q51-T55 HydrophobicContact CG-CG2 3.88Å; S52-T55 PolarHBondContact N-OG1 3.41Å; S52-T55 VanDerWaalsContact N-OG1 3.1Å; S52-T55 VanDerWaalsContact O-CB 3.29Å; S52-T55 WeakPolarHBondContact O-CB 3.18Å; S52-T55 PolarHBondContact O-N 3.28Å; S52-T55 PolarHBondContact O-OG1 3.32Å; S52-T55 PolarHBondContact OG-N 2.87Å; S52-T55 PolarHBondContact OG-OG1 2.9Å; T55-A104 HydrophobicContact CG2-CB 4.41Å; T55-V105 WeakPolarHBondContact CA-O 3.32Å; T55-D106 PolarHBondContact N-OD1 3.43Å | ||
| 56 | Y | 93.3 | Very high | 91.9 | Very high | 49 Ų | 49 | 60.6 Ų | 60.6 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 167.8 | 169.4 | 65.7 | -99 | 0 | 0 | 0 | 111.4 | S54 E58 K77 A104 V105 | S54-Y56 PolarHBondContact O-N 2.86Å; Y56-E58 HydrophobicContact CD2-CG 4.24Å; Y56-E58 HydrophobicContact CE2-CG 3.85Å; Y56-K77 HydrophobicContact CD1-CG 4.41Å; Y56-K77 VanDerWaalsContact CD2-CA 3.5Å; Y56-K77 HydrophobicContact CD2-CB 3.97Å; Y56-K77 HydrophobicContact CD2-CG 3.81Å; Y56-K77 HydrophobicContact CE1-CG 4.36Å; Y56-K77 HydrophobicContact CE2-CB 4.4Å; Y56-K77 HydrophobicContact CE2-CG 3.72Å; Y56-K77 HydrophobicContact CG-CB 4.03Å; Y56-K77 HydrophobicContact CG-CG 4.12Å; Y56-A104 CarbonylContact O-C 3.59Å; Y56-V105 HydrophobicContact CD1-CB 4.48Å; Y56-V105 HydrophobicContact CD2-CB 3.93Å; Y56-V105 HydrophobicContact CD2-CG2 4.18Å; Y56-V105 HydrophobicContact CE1-CB 4.12Å; Y56-V105 HydrophobicContact CE1-CG1 4.1Å; Y56-V105 HydrophobicContact CE2-CB 3.55Å; Y56-V105 HydrophobicContact CE2-CG1 4.01Å; Y56-V105 HydrophobicContact CE2-CG2 3.73Å; Y56-V105 HydrophobicContact CG-CB 4.41Å; Y56-V105 PolarHBondContact N-O 2.76Å; Y56-V105 PolarHBondContact O-N 2.73Å |
| 57 | Y | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 147.5 | 177.4 | -60.1 | -81.7 | 0 | 0 | 0 | 111.4 | P29 W45 S47 I48 Q51 K77 A78 L81 V102 R103 A104 | P29-Y57 HydrophobicContact CG-CD1 4.17Å; P29-Y57 HydrophobicContact CG-CE1 4.03Å; W45-Y57 AromaticContact CD1-CD1 3.87Å; W45-Y57 AromaticContact CD1-CE1 3.92Å; W45-Y57 AromaticContact CE2-CD2 3.97Å; W45-Y57 AromaticContact CE2-CG 3.75Å; W45-Y57 HydrophobicContact CZ2-CD2 4.06Å; W45-Y57 AromaticContact CZ2-CG 3.93Å; W45-Y57 HydrophobicContact CZ2-CG 3.93Å; W45-Y57 AromaticContact NE1-CD1 3.35Å; W45-Y57 VanDerWaalsContact NE1-CD1 3.35Å; W45-Y57 AromaticContact NE1-CD2 3.27Å; W45-Y57 VanDerWaalsContact NE1-CD2 3.27Å; W45-Y57 AromaticContact NE1-CE1 3.67Å; W45-Y57 AromaticContact NE1-CE2 3.62Å; W45-Y57 AromaticContact NE1-CG 3.14Å; W45-Y57 AromaticContact NE1-CZ 3.83Å; S47-Y57 WeakPolarHBondContact CA-OH 3.38Å; I48-Y57 HydrophobicContact CG2-CE1 4.11Å; I48-Y57 PolarHBondContact N-OH 2.87Å; Q51-Y57 PolarHBondContact OE1-OH 3.45Å; Y57-K77 PolarHBondContact O-N 2.83Å; Y57-A78 WeakPolarHBondContact CD2-O 3.48Å; Y57-A78 PolarHBondContact N-O 3.4Å; Y57-A78 PolarHBondContact O-N 2.83Å; Y57-L81 HydrophobicContact CD2-CD2 4.37Å; Y57-L81 HydrophobicContact CE2-CD2 3.58Å; Y57-V102 HydrophobicContact CD1-CG1 4Å; Y57-V102 HydrophobicContact CG-CG1 4.33Å; Y57-R103 WeakPolarHBondContact CA-O 3.45Å; Y57-A104 HydrophobicContact CD1-CB 4.05Å; Y57-A104 HydrophobicContact CE1-CB 3.8Å |
| 58 | E | 95.3 | Very high | 91.8 | Very high | 38 Ų | 38 | 64.5 Ų | 64.5 | 18% | 0.178 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.7 | 170.2 | -68.6 | -179.1 | 170.8 | 0 | 0 | 109.3 | Y56 V102 R103 V105 W113 | Y56-E58 HydrophobicContact CD2-CG 4.24Å; Y56-E58 HydrophobicContact CE2-CG 3.85Å; E58-V102 WeakPolarHBondContact O-CA 3.37Å; E58-R103 HydrophobicContact CB-CG 4.08Å; E58-R103 PolarHBondContact N-O 2.94Å; E58-R103 PolarHBondContact O-N 3.49Å; E58-R103 VanDerWaalsContact O-N 3.08Å; E58-R103 IonicContact OE2-CZ 3.59Å; E58-R103 IonicContact OE2-NE 3.6Å; E58-R103 PolarHBondContact OE2-NE 2.89Å; E58-R103 IonicContact OE2-NH2 2.7Å; E58-R103 PolarHBondContact OE2-NH2 3.16Å; E58-V105 HydrophobicContact CG-CG2 3.83Å; E58-W113 HydrophobicContact CB-CH2 4.39Å; E58-W113 WeakPolarHBondContact O-CZ3 3.42Å |
| 59 | V | 96.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 136.1 | -177 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | L43 W45 I72 C75 C83 L85 V102 | L43-V59 HydrophobicContact CD2-CG1 3.54Å; W45-V59 HydrophobicContact CH2-CG2 3.78Å; W45-V59 HydrophobicContact CZ3-CG2 3.94Å; V59-I72 HydrophobicContact CB-CB 4.39Å; V59-I72 HydrophobicContact CG1-CB 4.43Å; V59-I72 HydrophobicContact CG1-CG1 4.33Å; V59-I72 PolarHBondContact O-N 2.85Å; V59-C75 HydrophobicContact CB-CB 4.11Å; V59-C75 HydrophobicContact CG2-CB 3.87Å; V59-C83 HydrophobicContact CG2-CB 4.08Å; V59-L85 HydrophobicContact CG1-CD2 4.4Å; V59-V102 HydrophobicContact CG2-CG2 4.27Å |
| 60 | A | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | W69 K70 D71 A100 R101 W113 | A60-W69 HydrophobicContact CB-CE3 4.44Å; A60-K70 CarbonylContact C-O 3.55Å; A60-K70 VanDerWaalsContact CA-O 3.31Å; A60-K70 WeakPolarHBondContact CA-O 3.32Å; A60-D71 WeakPolarHBondContact CB-OD1 3.41Å; A60-A100 CarbonylContact O-C 3.45Å; A60-A100 WeakPolarHBondContact O-CA 3.31Å; A60-R101 HydrophobicContact CB-CG 3.82Å; A60-R101 PolarHBondContact N-O 3.49Å; A60-R101 PolarHBondContact O-N 3.21Å; A60-W113 HydrophobicContact CB-CH2 3.86Å; A60-W113 HydrophobicContact CB-CZ3 4.01Å |
| 61 | L | 96.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 66.5 Ų | 66.5 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143 | -171.6 | -174 | 64.7 | 0 | 0 | 0 | 110.4 | F34 K70 I72 L85 T89 Y98 A100 | F34-L61 HydrophobicContact CZ-CD1 4.45Å; L61-K70 PolarHBondContact N-O 2.79Å; L61-K70 PolarHBondContact O-N 2.75Å; L61-I72 HydrophobicContact CB-CD1 3.8Å; L61-I72 HydrophobicContact CB-CG1 4.02Å; L61-I72 HydrophobicContact CD2-CD1 4.18Å; L61-L85 HydrophobicContact CD1-CD1 4.15Å; L61-T89 HydrophobicContact CD1-CG2 4.41Å; L61-T89 HydrophobicContact CD2-CG2 3.72Å; L61-Y98 HydrophobicContact CD1-CD1 3.65Å; L61-Y98 HydrophobicContact CD1-CG 4.11Å; L61-Y98 HydrophobicContact CD2-CD1 3.91Å; L61-Y98 HydrophobicContact CD2-CE1 3.95Å; L61-Y98 HydrophobicContact CG-CD1 3.66Å; L61-Y98 HydrophobicContact CG-CE1 4.1Å; L61-A100 HydrophobicContact CD1-CB 4.19Å |
| 62 | K | 96.1 | Very high | 93.2 | Very high | 54 Ų | 54 | 63.7 Ų | 63.7 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123.1 | 173.6 | 179.4 | 172.8 | 68.6 | 165.8 | 0 | 110.2 | T66 W69 Y98 R99 | K62-T66 WeakPolarHBondContact CD-O 3.14Å; K62-W69 HydrophobicContact CB-CD2 3.75Å; K62-W69 HydrophobicContact CB-CE3 3.49Å; K62-W69 VanDerWaalsContact CB-CE3 3.49Å; K62-W69 HydrophobicContact CB-CG 4.38Å; K62-W69 HydrophobicContact CB-CH2 4.19Å; K62-W69 HydrophobicContact CB-CZ2 4.44Å; K62-W69 HydrophobicContact CB-CZ3 3.72Å; K62-W69 HydrophobicContact CD-CD2 4.19Å; K62-W69 HydrophobicContact CD-CG 4.46Å; K62-W69 HydrophobicContact CD-CZ2 4.33Å; K62-Y98 WeakPolarHBondContact O-CA 3.21Å; K62-R99 PolarHBondContact N-O 3Å; K62-R99 PolarHBondContact O-N 3.44Å |
| 63 | K | 96.3 | Very high | 93.3 | Very high | 78 Ų | 78 | 69.2 Ų | 69.2 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 137.3 | 172 | -169.4 | 172.7 | 178.2 | 174.7 | 0 | 109.3 | T66 D91 Y98 | K63-T66 HydrophobicContact CB-CG2 4.28Å; K63-T66 PolarHBondContact O-N 2.87Å; K63-T66 VanDerWaalsContact O-N 3.11Å; K63-T66 PolarHBondContact O-OG1 3.42Å; K63-D91 VanDerWaalsContact CE-OD2 3.3Å; K63-D91 WeakPolarHBondContact CE-OD2 3.45Å; K63-D91 IonicContact NZ-OD2 2.76Å; K63-D91 PolarHBondContact NZ-OD2 2.8Å; K63-Y98 HydrophobicContact CB-CD1 4.06Å; K63-Y98 HydrophobicContact CB-CE1 3.55Å; K63-Y98 HydrophobicContact CD-CE1 4.46Å; K63-Y98 HydrophobicContact CG-CD1 4.47Å; K63-Y98 HydrophobicContact CG-CE1 3.86Å |
| 64 | Y | 93.6 | Very high | 93.3 | Very high | 132 Ų | 132 | 66.2 Ų | 66.2 | 52% | 0.518 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 143 | 176 | -161.5 | -89.5 | 0 | 0 | 0 | 110.1 | T66 S96 G97 R119 | Y64-T66 VanDerWaalsContact C-N 3.3Å; Y64-S96 VanDerWaalsContact CB-O 3.29Å; Y64-S96 WeakPolarHBondContact CB-O 3.31Å; Y64-G97 VanDerWaalsContact CB-O 3.23Å; Y64-G97 WeakPolarHBondContact CB-O 3.46Å; Y64-G97 PolarHBondContact N-O 3.39Å; Y64-R119 HydrophobicContact CD2-CG 4.23Å |
| 65 | G | 91.2 | Very high | 93.3 | Very high | 79 Ų | 79 | 64 Ų | 64 | 81% | 0.814 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -10.5 | -168 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 66 | T | 92.7 | Very high | 92.7 | Very high | 68 Ų | 68 | 66.9 Ų | 66.9 | 42% | 0.417 | 35% | 0.353 | S | S | . | . | trans | -106.3 | 150.3 | 170 | 77.6 | 0 | 0 | 0 | 0 | 111.9 | K62 K63 Y64 | K62-T66 WeakPolarHBondContact CD-O 3.14Å; K63-T66 HydrophobicContact CB-CG2 4.28Å; K63-T66 PolarHBondContact O-N 2.87Å; K63-T66 VanDerWaalsContact O-N 3.11Å; K63-T66 PolarHBondContact O-OG1 3.42Å; Y64-T66 VanDerWaalsContact C-N 3.3Å | ||
| 67 | S | 91.4 | Very high | 92.1 | Very high | 105 Ų | 105 | 71.3 Ų | 71.3 | 73% | 0.734 | 37% | 0.373 | S | S | * | . | trans | -87.1 | -24.8 | 173 | 52.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 68 | I | 94.9 | Very high | 91.4 | Very high | 116 Ų | 116 | 71.9 Ų | 71.9 | 60% | 0.595 | 38% | 0.378 | S | S | * | . | trans | -82.3 | 127.2 | -171 | -61.9 | 162.2 | 0 | 0 | 0 | 111.1 | ||||
| 69 | W | 95.9 | Very high | 90.8 | Very high | 60 Ų | 60 | 76.7 Ų | 76.7 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | trans | -81.9 | 136.5 | 162.9 | -66.9 | 94.6 | 0 | 0 | 0 | 109.8 | A60 K62 R99 R101 I115 | A60-W69 HydrophobicContact CB-CE3 4.44Å; K62-W69 HydrophobicContact CB-CD2 3.75Å; K62-W69 HydrophobicContact CB-CE3 3.49Å; K62-W69 VanDerWaalsContact CB-CE3 3.49Å; K62-W69 HydrophobicContact CB-CG 4.38Å; K62-W69 HydrophobicContact CB-CH2 4.19Å; K62-W69 HydrophobicContact CB-CZ2 4.44Å; K62-W69 HydrophobicContact CB-CZ3 3.72Å; K62-W69 HydrophobicContact CD-CD2 4.19Å; K62-W69 HydrophobicContact CD-CG 4.46Å; K62-W69 HydrophobicContact CD-CZ2 4.33Å; W69-R99 HydrophobicContact CH2-CB 4.14Å; W69-R99 WeakPolarHBondContact CZ3-O 3.41Å; W69-R101 HydrophobicContact CD2-CG 4.35Å; W69-R101 HydrophobicContact CE3-CG 3.71Å; W69-R101 HydrophobicContact CH2-CB 4.11Å; W69-R101 HydrophobicContact CH2-CG 4.04Å; W69-R101 HydrophobicContact CZ3-CB 3.97Å; W69-R101 HydrophobicContact CZ3-CG 3.55Å; W69-I115 HydrophobicContact CH2-CG2 4.02Å; W69-I115 HydrophobicContact CZ2-CD1 4.33Å | ||
| 70 | K | 94.9 | Very high | 90.5 | Very high | 155 Ų | 155 | 80.9 Ų | 80.9 | 67% | 0.674 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.9 | 171.2 | -64.4 | -177.2 | 177.3 | -175.7 | 0 | 108.8 | A60 L61 | A60-K70 CarbonylContact C-O 3.55Å; A60-K70 VanDerWaalsContact CA-O 3.31Å; A60-K70 WeakPolarHBondContact CA-O 3.32Å; L61-K70 PolarHBondContact N-O 2.79Å; L61-K70 PolarHBondContact O-N 2.75Å |
| 71 | D | 94.4 | Very high | 90.4 | Very high | 88 Ų | 88 | 84 Ų | 84 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 137.5 | 176.3 | -55.9 | -39.2 | 0 | 0 | 0 | 109.7 | A60 H73 R101 | A60-D71 WeakPolarHBondContact CB-OD1 3.41Å; D71-H73 PolarHBondContact O-N 2.95Å; D71-R101 IonicContact OD1-NH2 2.66Å |
| 72 | I | 94.6 | Very high | 90.4 | Very high | 15 Ų | 15 | 85.2 Ų | 85.2 | 8% | 0.077 | 45% | 0.452 | C | S | . | . | trans | -93.6 | 93.9 | -172.9 | -59 | -63.2 | 0 | 0 | 0 | 109.1 | V59 L61 I74 C75 S76 L85 | V59-I72 HydrophobicContact CB-CB 4.39Å; V59-I72 HydrophobicContact CG1-CB 4.43Å; V59-I72 HydrophobicContact CG1-CG1 4.33Å; V59-I72 PolarHBondContact O-N 2.85Å; L61-I72 HydrophobicContact CB-CD1 3.8Å; L61-I72 HydrophobicContact CB-CG1 4.02Å; L61-I72 HydrophobicContact CD2-CD1 4.18Å; I72-I74 HydrophobicContact CG2-CB 4.34Å; I72-I74 PolarHBondContact O-N 3.44Å; I72-C75 HydrophobicContact CG2-CB 4.19Å; I72-C75 CarbonylContact O-C 3.45Å; I72-C75 PolarHBondContact O-N 2.98Å; I72-S76 PolarHBondContact O-N 3.04Å; I72-L85 HydrophobicContact CB-CD2 4.22Å; I72-L85 HydrophobicContact CD1-CD2 4.2Å; I72-L85 HydrophobicContact CG1-CD2 3.76Å; I72-L85 HydrophobicContact CG2-CD2 3.72Å | ||
| 73 | H | 87.1 | Confident | 90.3 | Very high | 153 Ų | 153 | 82.9 Ų | 82.9 | 71% | 0.708 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -57.8 | -33.2 | -175.7 | -57.9 | -53.6 | 0 | 0 | 0 | 113.9 | D71 C75 S76 | D71-H73 PolarHBondContact O-N 2.95Å; H73-C75 PolarHBondContact O-N 3.38Å; H73-S76 WeakPolarHBondContact O-CB 3.49Å; H73-S76 PolarHBondContact O-N 2.98Å; H73-S76 PolarHBondContact O-OG 3.34Å |
| 74 | I | 85.1 | Confident | 90.3 | Very high | 129 Ų | 129 | 83.1 Ų | 83.1 | 66% | 0.662 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -57.6 | -32.4 | 175.4 | -58.2 | 174.5 | 0 | 0 | 0 | 111.7 | I72 | I72-I74 HydrophobicContact CG2-CB 4.34Å; I72-I74 PolarHBondContact O-N 3.44Å |
| 75 | C | 86.4 | Confident | 90.4 | Very high | 10 Ų | 10 | 76.8 Ų | 76.8 | 7% | 0.068 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -112.5 | 19.1 | 179 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | V59 I72 H73 A78 C83 | V59-C75 HydrophobicContact CB-CB 4.11Å; V59-C75 HydrophobicContact CG2-CB 3.87Å; I72-C75 HydrophobicContact CG2-CB 4.19Å; I72-C75 CarbonylContact O-C 3.45Å; I72-C75 PolarHBondContact O-N 2.98Å; H73-C75 PolarHBondContact O-N 3.38Å; C75-A78 HydrophobicContact CB-CB 4.48Å; C75-A78 PolarHBondContact O-N 2.75Å; C75-C83 HydrophobicContact CB-CB 3.7Å; C75-C83 WeakPolarHBondContact CB-SG 3.32Å; C75-C83 VanDerWaalsContact SG-CA 3.6Å; C75-C83 WeakPolarHBondContact SG-CB 3.04Å; C75-C83 CovalentContact SG-SG 2.02Å; C75-C83 PolarHBondContact SG-SG 2.75Å |
| 76 | S | 78.1 | Confident | 90.6 | Very high | 63 Ų | 63 | 73.3 Ų | 73.3 | 44% | 0.441 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 127.9 | 168.2 | 67.7 | 0 | 0 | 0 | 0 | 108.5 | I72 H73 | I72-S76 PolarHBondContact O-N 3.04Å; H73-S76 WeakPolarHBondContact O-CB 3.49Å; H73-S76 PolarHBondContact O-N 2.98Å; H73-S76 PolarHBondContact O-OG 3.34Å |
| 77 | K | 81.9 | Confident | 90.6 | Very high | 142 Ų | 142 | 73.9 Ų | 73.9 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 33.6 | -171.4 | -48 | -176.2 | 178.7 | 179 | 0 | 114.8 | Y56 Y57 Q79 | Y56-K77 HydrophobicContact CD1-CG 4.41Å; Y56-K77 VanDerWaalsContact CD2-CA 3.5Å; Y56-K77 HydrophobicContact CD2-CB 3.97Å; Y56-K77 HydrophobicContact CD2-CG 3.81Å; Y56-K77 HydrophobicContact CE1-CG 4.36Å; Y56-K77 HydrophobicContact CE2-CB 4.4Å; Y56-K77 HydrophobicContact CE2-CG 3.72Å; Y56-K77 HydrophobicContact CG-CB 4.03Å; Y56-K77 HydrophobicContact CG-CG 4.12Å; Y57-K77 PolarHBondContact O-N 2.83Å; K77-Q79 PolarHBondContact O-N 2.9Å |
| 78 | A | 80.1 | Confident | 90.8 | Very high | 12 Ų | 12 | 70.9 Ų | 70.9 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -61.5 | 119.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | W45 Y57 C75 | W45-A78 HydrophobicContact CH2-CB 4.24Å; W45-A78 HydrophobicContact CZ2-CB 4.19Å; Y57-A78 WeakPolarHBondContact CD2-O 3.48Å; Y57-A78 PolarHBondContact N-O 3.4Å; Y57-A78 PolarHBondContact O-N 2.83Å; C75-A78 HydrophobicContact CB-CB 4.48Å; C75-A78 PolarHBondContact O-N 2.75Å |
| 79 | Q | 83.1 | Confident | 90.8 | Very high | 139 Ų | 139 | 65.3 Ų | 65.3 | 65% | 0.65 | 34% | 0.339 | S | S | * | . | trans | -87.5 | -24.7 | 168.7 | -70.4 | 178.6 | -38.1 | 0 | 0 | 111.7 | K77 | K77-Q79 PolarHBondContact O-N 2.9Š| ||
| 80 | T | 89.6 | Confident | 90.8 | Very high | 91 Ų | 91 | 64.9 Ų | 64.9 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -71.2 | 143 | 171.8 | 47.5 | 0 | 0 | 0 | 0 | 111.3 | W45 S82 | W45-T80 WeakPolarHBondContact CZ2-O 3.5Å; T80-S82 PolarHBondContact O-N 2.84Å; T80-S82 PolarHBondContact OG1-O 2.91Å; T80-S82 VanDerWaalsContact OG1-O 3.11Å |
| 81 | L | 94.3 | Very high | 90.8 | Very high | 66 Ų | 66 | 60 Ų | 60 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -76.7 | 28.4 | 176.2 | -57.7 | 178.8 | 0 | 0 | 0 | 113.5 | W45 Y57 | W45-L81 PolarHBondContact N-O 3.23Å; Y57-L81 HydrophobicContact CD2-CD2 4.37Å; Y57-L81 HydrophobicContact CE2-CD2 3.58Å |
| 82 | S | 95.8 | Very high | 90.9 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 152.2 | -179.5 | 56.6 | 0 | 0 | 0 | 0 | 112 | L43 W45 T80 | L43-S82 CarbonylContact O-C 3.56Å; L43-S82 WeakPolarHBondContact O-CA 3.34Å; L43-S82 WeakPolarHBondContact O-CB 3.34Å; W45-S82 VanDerWaalsContact CH2-C 3.47Å; T80-S82 PolarHBondContact O-N 2.84Å; T80-S82 PolarHBondContact OG1-O 2.91Å; T80-S82 VanDerWaalsContact OG1-O 3.11Å |
| 83 | C | 95.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 132.8 | 179.8 | 167.9 | 0 | 0 | 0 | 0 | 109.5 | L43 W45 V59 C75 L85 | L43-C83 HydrophobicContact CB-CB 4.4Å; L43-C83 PolarHBondContact N-O 2.84Å; L43-C83 PolarHBondContact O-N 2.82Å; W45-C83 HydrophobicContact CH2-CB 3.81Å; W45-C83 HydrophobicContact CZ3-CB 3.7Å; V59-C83 HydrophobicContact CG2-CB 4.08Å; C75-C83 HydrophobicContact CB-CB 3.7Å; C75-C83 WeakPolarHBondContact CB-SG 3.32Å; C75-C83 VanDerWaalsContact SG-CA 3.6Å; C75-C83 WeakPolarHBondContact SG-CB 3.04Å; C75-C83 CovalentContact SG-SG 2.02Å; C75-C83 PolarHBondContact SG-SG 2.75Å; C83-L85 WeakPolarHBondContact SG-CD2 3.35Å |
| 84 | D | 95.2 | Very high | 91.2 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 120.7 | 170.6 | -168.7 | -20.5 | 0 | 0 | 0 | 109.8 | T86 | D84-T86 WeakPolarHBondContact OD1-CB 3.35Å; D84-T86 PolarHBondContact OD1-N 2.82Å; D84-T86 PolarHBondContact OD1-OG1 2.86Å |
| 85 | L | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -109.2 | 7.1 | 177.7 | -66.2 | -173.4 | 0 | 0 | 0 | 113.3 | F34 H41 L43 V59 L61 I72 C83 T87 S88 T89 A100 | F34-L85 HydrophobicContact CE1-CB 4.41Å; F34-L85 HydrophobicContact CE1-CD1 3.78Å; F34-L85 HydrophobicContact CZ-CD1 3.85Å; H41-L85 PolarHBondContact O-N 3.1Å; L43-L85 HydrophobicContact CB-CD1 3.95Å; L43-L85 HydrophobicContact CB-CG 4.27Å; L43-L85 HydrophobicContact CD2-CD1 4.22Å; L43-L85 HydrophobicContact CG-CD1 4.5Å; V59-L85 HydrophobicContact CG1-CD2 4.4Å; L61-L85 HydrophobicContact CD1-CD1 4.15Å; I72-L85 HydrophobicContact CB-CD2 4.22Å; I72-L85 HydrophobicContact CD1-CD2 4.2Å; I72-L85 HydrophobicContact CG1-CD2 3.76Å; I72-L85 HydrophobicContact CG2-CD2 3.72Å; C83-L85 WeakPolarHBondContact SG-CD2 3.35Å; L85-T87 PolarHBondContact O-N 3.2Å; L85-S88 CarbonylContact O-C 3.54Å; L85-S88 WeakPolarHBondContact O-CA 3.43Å; L85-S88 WeakPolarHBondContact O-CB 3.5Å; L85-S88 PolarHBondContact O-N 2.85Å; L85-T89 HydrophobicContact CB-CG2 4.42Å; L85-T89 PolarHBondContact O-N 2.9Å; L85-T89 VanDerWaalsContact O-N 3.09Å; L85-T89 PolarHBondContact O-OG1 2.78Å; L85-A100 HydrophobicContact CD1-CB 4.38Å | ||
| 86 | T | 95.2 | Very high | 92 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -54.7 | -50.9 | -174 | -50.3 | 0 | 0 | 0 | 0 | 111.8 | F39 H41 D84 S88 T89 L90 L152 | F39-T86 WeakPolarHBondContact O-CG2 3.41Å; H41-T86 PolarHBondContact N-OG1 2.99Å; D84-T86 WeakPolarHBondContact OD1-CB 3.35Å; D84-T86 PolarHBondContact OD1-N 2.82Å; D84-T86 PolarHBondContact OD1-OG1 2.86Å; T86-S88 PolarHBondContact O-N 2.7Å; T86-S88 VanDerWaalsContact O-N 3.13Å; T86-T89 CarbonylContact O-C 3.59Å; T86-T89 PolarHBondContact O-N 2.82Å; T86-T89 PolarHBondContact O-OG1 3.32Å; T86-L90 HydrophobicContact CG2-CD2 4.15Å; T86-L90 WeakPolarHBondContact O-CD2 3.45Å; T86-L90 WeakPolarHBondContact O-CG 3.33Å; T86-L90 PolarHBondContact O-N 3.45Å; T86-L90 VanDerWaalsContact O-N 3.11Å; T86-L152 HydrophobicContact CG2-CD2 4.03Å |
| 87 | T | 94 | Very high | 92.9 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -58 | -26.8 | 176.4 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | L85 L152 | L85-T87 PolarHBondContact O-N 3.2Å; T87-L152 HydrophobicContact CG2-CD2 3.73Å |
| 88 | S | 94.6 | Very high | 93.6 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 29% | 0.287 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -95 | -0.4 | -179.7 | -58.8 | 0 | 0 | 0 | 0 | 113.5 | L85 T86 | L85-S88 CarbonylContact O-C 3.54Å; L85-S88 WeakPolarHBondContact O-CA 3.43Å; L85-S88 WeakPolarHBondContact O-CB 3.5Å; L85-S88 PolarHBondContact O-N 2.85Å; T86-S88 PolarHBondContact O-N 2.7Å; T86-S88 VanDerWaalsContact O-N 3.13Å |
| 89 | T | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -142.3 | 23.9 | -173.4 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | H41 L61 L85 T86 D91 L92 Y98 | H41-T89 PolarHBondContact ND1-OG1 3.02Å; L61-T89 HydrophobicContact CD1-CG2 4.41Å; L61-T89 HydrophobicContact CD2-CG2 3.72Å; L85-T89 HydrophobicContact CB-CG2 4.42Å; L85-T89 PolarHBondContact O-N 2.9Å; L85-T89 VanDerWaalsContact O-N 3.09Å; L85-T89 PolarHBondContact O-OG1 2.78Å; T86-T89 CarbonylContact O-C 3.59Å; T86-T89 PolarHBondContact O-N 2.82Å; T86-T89 PolarHBondContact O-OG1 3.32Å; T89-D91 PolarHBondContact O-N 3.26Å; T89-L92 WeakPolarHBondContact O-CB 3.43Å; T89-L92 PolarHBondContact O-N 2.89Å; T89-Y98 HydrophobicContact CG2-CD1 4.31Å; T89-Y98 HydrophobicContact CG2-CD2 3.92Å; T89-Y98 HydrophobicContact CG2-CE1 4.34Å; T89-Y98 HydrophobicContact CG2-CE2 3.97Å; T89-Y98 HydrophobicContact CG2-CG 4.11Å | ||
| 90 | L | 95.1 | Very high | 95.1 | Very high | 51 Ų | 51 | 41.3 Ų | 41.3 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -56.4 | -34.7 | 177.5 | -64.1 | 178 | 0 | 0 | 0 | 112.3 | F39 T86 L92 L152 P154 | F39-L90 HydrophobicContact CD1-CD2 3.84Å; F39-L90 HydrophobicContact CE1-CB 4.39Å; F39-L90 HydrophobicContact CE1-CD2 4.08Å; F39-L90 WeakPolarHBondContact CE1-O 3.44Å; T86-L90 HydrophobicContact CG2-CD2 4.15Å; T86-L90 WeakPolarHBondContact O-CD2 3.45Å; T86-L90 WeakPolarHBondContact O-CG 3.33Å; T86-L90 PolarHBondContact O-N 3.45Å; T86-L90 VanDerWaalsContact O-N 3.11Å; L90-L92 PolarHBondContact O-N 3.1Å; L90-L152 HydrophobicContact CD2-CD2 3.9Å; L90-L152 HydrophobicContact CD2-CG 4.03Å; L90-P154 HydrophobicContact CB-CG 4.24Å |
| 91 | D | 94.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -79.9 | 13.5 | 177.5 | 71.9 | -24.8 | 0 | 0 | 0 | 114.2 | K63 T89 Y93 H94 S95 Y98 | K63-D91 VanDerWaalsContact CE-OD2 3.3Å; K63-D91 WeakPolarHBondContact CE-OD2 3.45Å; K63-D91 IonicContact NZ-OD2 2.76Å; K63-D91 PolarHBondContact NZ-OD2 2.8Å; T89-D91 PolarHBondContact O-N 3.26Å; D91-Y93 PolarHBondContact O-N 3.08Å; D91-H94 PolarHBondContact O-N 2.82Å; D91-S95 WeakPolarHBondContact O-CB 3.47Å; D91-S95 PolarHBondContact O-N 2.87Å; D91-S95 VanDerWaalsContact O-N 3.12Å; D91-S95 PolarHBondContact O-OG 3.36Å; D91-Y98 WeakPolarHBondContact OD1-CE2 3.3Å; D91-Y98 PolarHBondContact OD1-OH 2.71Å; D91-Y98 PolarHBondContact OD2-OH 3.38Å |
| 92 | L | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -51.8 | -42.5 | 177.3 | 179.1 | 68.9 | 0 | 0 | 0 | 111.9 | T89 L90 H94 S95 Y98 F120 V125 | T89-L92 WeakPolarHBondContact O-CB 3.43Å; T89-L92 PolarHBondContact O-N 2.89Å; L90-L92 PolarHBondContact O-N 3.1Å; L92-H94 VanDerWaalsContact C-N 3.31Å; L92-H94 PolarHBondContact O-N 3.49Å; L92-S95 PolarHBondContact O-N 2.87Å; L92-S95 PolarHBondContact O-OG 3.33Å; L92-Y98 HydrophobicContact CD1-CD2 4.19Å; L92-F120 HydrophobicContact CD1-CD1 3.8Å; L92-F120 HydrophobicContact CD1-CE1 3.75Å; L92-F120 HydrophobicContact CD1-CG 4.31Å; L92-F120 HydrophobicContact CD1-CZ 4.2Å; L92-F120 HydrophobicContact CD2-CD1 4.46Å; L92-F120 HydrophobicContact CD2-CE1 3.64Å; L92-F120 HydrophobicContact CD2-CE2 4.05Å; L92-F120 HydrophobicContact CD2-CZ 3.38Å; L92-F120 HydrophobicContact CG-CE1 4.29Å; L92-F120 HydrophobicContact CG-CZ 4.43Å; L92-V125 HydrophobicContact CD2-CG2 3.78Å |
| 93 | Y | 95 | Very high | 95.6 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 9% | 0.09 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -73.4 | -21.7 | -173.1 | -56.5 | -78 | 0 | 0 | 0 | 113.9 | F38 F39 H41 D91 V122 V125 I162 | F38-Y93 WeakPolarHBondContact CA-OH 3.4Å; F38-Y93 HydrophobicContact CD2-CE1 4.19Å; F38-Y93 AromaticContact CD2-CZ 3.9Å; F38-Y93 HydrophobicContact CE2-CE1 4.19Å; F38-Y93 HydrophobicContact CE2-CE2 4.47Å; F39-Y93 HydrophobicContact CD1-CE2 4.06Å; F39-Y93 HydrophobicContact CD2-CD2 4.33Å; F39-Y93 AromaticContact CD2-CE2 3.61Å; F39-Y93 HydrophobicContact CD2-CE2 3.61Å; F39-Y93 AromaticContact CE1-CD2 3.94Å; F39-Y93 HydrophobicContact CE1-CD2 3.94Å; F39-Y93 AromaticContact CE1-CE2 3.77Å; F39-Y93 HydrophobicContact CE1-CE2 3.77Å; F39-Y93 AromaticContact CE2-CD2 3.55Å; F39-Y93 HydrophobicContact CE2-CD2 3.55Å; F39-Y93 AromaticContact CE2-CE2 3.29Å; F39-Y93 HydrophobicContact CE2-CE2 3.29Å; F39-Y93 AromaticContact CG-CE2 3.99Å; F39-Y93 HydrophobicContact CG-CE2 3.99Å; F39-Y93 AromaticContact CZ-CD2 3.31Å; F39-Y93 HydrophobicContact CZ-CD2 3.31Å; F39-Y93 AromaticContact CZ-CE2 3.37Å; F39-Y93 HydrophobicContact CZ-CE2 3.37Å; F39-Y93 HydrophobicContact CZ-CG 4.49Å; F39-Y93 PolarHBondContact N-OH 2.79Å; F39-Y93 VanDerWaalsContact N-OH 3.09Å; H41-Y93 AromaticContact NE2-CE2 3.99Å; H41-Y93 AromaticContact NE2-CZ 3.9Å; H41-Y93 PolarHBondContact NE2-OH 3.34Å; D91-Y93 PolarHBondContact O-N 3.08Å; Y93-V122 HydrophobicContact CD1-CB 4.34Å; Y93-V122 HydrophobicContact CD1-CG1 3.87Å; Y93-V122 HydrophobicContact CD1-CG2 3.68Å; Y93-V122 HydrophobicContact CE1-CG1 4.11Å; Y93-V122 HydrophobicContact CE1-CG2 4.39Å; Y93-V122 HydrophobicContact CG-CG2 4.36Å; Y93-V125 HydrophobicContact CE1-CG2 4.35Å; Y93-I162 HydrophobicContact CD1-CG2 3.46Å; Y93-I162 VanDerWaalsContact CD1-CG2 3.46Å; Y93-I162 HydrophobicContact CE1-CG2 4.11Å; Y93-I162 HydrophobicContact CG-CD1 4.27Å; Y93-I162 HydrophobicContact CG-CG1 4.34Å; Y93-I162 HydrophobicContact CG-CG2 3.97Å |
| 94 | H | 94.3 | Very high | 95.5 | Very high | 136 Ų | 136 | 36.5 Ų | 36.5 | 63% | 0.63 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -112.3 | 12 | 179.3 | -61.4 | -66.1 | 0 | 0 | 0 | 113.5 | D91 L92 D157 | D91-H94 PolarHBondContact O-N 2.82Å; L92-H94 VanDerWaalsContact C-N 3.31Å; L92-H94 PolarHBondContact O-N 3.49Å; H94-D157 IonicContact CD2-OD1 3.98Å; H94-D157 IonicContact CD2-OD2 3.6Å; H94-D157 IonicContact CE1-OD1 2.61Å; H94-D157 IonicContact NE2-OD1 2.77Å; H94-D157 PolarHBondContact NE2-OD1 2.9Å; H94-D157 IonicContact NE2-OD2 3.71Å |
| 95 | S | 93.8 | Very high | 95.4 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -126.7 | 164.3 | -175.8 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | D91 L92 G97 | D91-S95 WeakPolarHBondContact O-CB 3.47Å; D91-S95 PolarHBondContact O-N 2.87Å; D91-S95 VanDerWaalsContact O-N 3.12Å; D91-S95 PolarHBondContact O-OG 3.36Å; L92-S95 PolarHBondContact O-N 2.87Å; L92-S95 PolarHBondContact O-OG 3.33Å; S95-G97 PolarHBondContact O-N 3.43Å |
| 96 | S | 94.8 | Very high | 95.2 | Very high | 71 Ų | 71 | 33.6 Ų | 33.6 | 50% | 0.497 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -71.5 | 14.7 | 175.7 | -48.3 | 0 | 0 | 0 | 0 | 114.1 | Y64 R119 | Y64-S96 VanDerWaalsContact CB-O 3.29Å; Y64-S96 WeakPolarHBondContact CB-O 3.31Å; S96-R119 VanDerWaalsContact O-CD 3.31Å; S96-R119 WeakPolarHBondContact O-CD 3.27Å; S96-R119 PolarHBondContact O-NH1 2.04Å |
| 97 | G | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | 83.8 | -169.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y64 S95 F120 | Y64-G97 VanDerWaalsContact CB-O 3.23Å; Y64-G97 WeakPolarHBondContact CB-O 3.46Å; Y64-G97 PolarHBondContact N-O 3.39Å; S95-G97 PolarHBondContact O-N 3.43Å; G97-F120 CarbonylContact C-O 3.53Å; G97-F120 WeakPolarHBondContact CA-O 3.42Å | ||
| 98 | Y | 97.5 | Very high | 94.3 | Very high | 16 Ų | 16 | 40 Ų | 40 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 162.6 | -169.5 | -76.7 | -87.1 | 0 | 0 | 0 | 112.6 | L61 K62 K63 T89 D91 L92 R119 F120 | L61-Y98 HydrophobicContact CD1-CD1 3.65Å; L61-Y98 HydrophobicContact CD1-CG 4.11Å; L61-Y98 HydrophobicContact CD2-CD1 3.91Å; L61-Y98 HydrophobicContact CD2-CE1 3.95Å; L61-Y98 HydrophobicContact CG-CD1 3.66Å; L61-Y98 HydrophobicContact CG-CE1 4.1Å; K62-Y98 WeakPolarHBondContact O-CA 3.21Å; K63-Y98 HydrophobicContact CB-CD1 4.06Å; K63-Y98 HydrophobicContact CB-CE1 3.55Å; K63-Y98 HydrophobicContact CD-CE1 4.46Å; K63-Y98 HydrophobicContact CG-CD1 4.47Å; K63-Y98 HydrophobicContact CG-CE1 3.86Å; T89-Y98 HydrophobicContact CG2-CD1 4.31Å; T89-Y98 HydrophobicContact CG2-CD2 3.92Å; T89-Y98 HydrophobicContact CG2-CE1 4.34Å; T89-Y98 HydrophobicContact CG2-CE2 3.97Å; T89-Y98 HydrophobicContact CG2-CG 4.11Å; D91-Y98 WeakPolarHBondContact OD1-CE2 3.3Å; D91-Y98 PolarHBondContact OD1-OH 2.71Å; D91-Y98 PolarHBondContact OD2-OH 3.38Å; L92-Y98 HydrophobicContact CD1-CD2 4.19Å; Y98-R119 CarbonylContact O-C 3.36Å; Y98-R119 WeakPolarHBondContact O-CA 3.46Å; Y98-R119 WeakPolarHBondContact O-CG 3.41Å; Y98-F120 PolarHBondContact N-O 2.95Å; Y98-F120 PolarHBondContact O-N 3.23Å |
| 99 | R | 97.2 | Very high | 94.1 | Very high | 83 Ų | 83 | 42.7 Ų | 42.7 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.8 | 155.2 | -77.5 | -173.2 | 177.6 | -100.8 | -1.1 | 108.9 | K62 W69 T116 E117 | K62-R99 PolarHBondContact N-O 3Å; K62-R99 PolarHBondContact O-N 3.44Å; W69-R99 HydrophobicContact CH2-CB 4.14Å; W69-R99 WeakPolarHBondContact CZ3-O 3.41Å; R99-T116 PolarHBondContact NH1-O 3.43Å; R99-E117 PolarHBondContact NH1-O 2.75Å; R99-E117 PolarHBondContact NH2-O 3.48Å; R99-E117 VanDerWaalsContact NH2-O 3.11Å |
| 100 | A | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 160.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F34 L43 A60 L61 L85 I115 T116 | F34-A100 HydrophobicContact CE2-CB 3.79Å; F34-A100 HydrophobicContact CZ-CB 3.81Å; L43-A100 HydrophobicContact CD1-CB 3.53Å; L43-A100 HydrophobicContact CD2-CB 3.82Å; L43-A100 HydrophobicContact CG-CB 4.35Å; A60-A100 CarbonylContact O-C 3.45Å; A60-A100 WeakPolarHBondContact O-CA 3.31Å; L61-A100 HydrophobicContact CD1-CB 4.19Å; L85-A100 HydrophobicContact CD1-CB 4.38Å; A100-I115 WeakPolarHBondContact O-CG2 3.48Å; A100-T116 HydrophobicContact CB-CG2 3.98Å; A100-T116 PolarHBondContact N-OG1 2.94Å; A100-T116 PolarHBondContact O-N 2.82Å |
| 101 | R | 96.7 | Very high | 93.9 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 15% | 0.151 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149.9 | 172.9 | 64.5 | 174.3 | -164.8 | -169.6 | -4.9 | 110.5 | A60 W69 D71 W113 T114 I115 | A60-R101 HydrophobicContact CB-CG 3.82Å; A60-R101 PolarHBondContact N-O 3.49Å; A60-R101 PolarHBondContact O-N 3.21Å; W69-R101 HydrophobicContact CD2-CG 4.35Å; W69-R101 HydrophobicContact CE3-CG 3.71Å; W69-R101 HydrophobicContact CH2-CB 4.11Å; W69-R101 HydrophobicContact CH2-CG 4.04Å; W69-R101 HydrophobicContact CZ3-CB 3.97Å; W69-R101 HydrophobicContact CZ3-CG 3.55Å; D71-R101 IonicContact OD1-NH2 2.66Å; R101-W113 HydrophobicContact CB-CE3 3.89Å; R101-W113 VanDerWaalsContact CD-CD2 3.49Å; R101-W113 VanDerWaalsContact CD-CE3 3.46Å; R101-W113 HydrophobicContact CG-CD2 4Å; R101-W113 HydrophobicContact CG-CE3 3.4Å; R101-W113 HydrophobicContact CG-CZ3 3.71Å; R101-W113 VanDerWaalsContact CZ-CE2 3.48Å; R101-T114 CarbonylContact C-O 3.47Å; R101-T114 WeakPolarHBondContact CA-O 3.47Å; R101-T114 WeakPolarHBondContact CB-O 3.43Å; R101-I115 HydrophobicContact CB-CB 4.4Å; R101-I115 HydrophobicContact CB-CG1 3.96Å |
| 102 | V | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.2 | 178.2 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | P29 V32 L43 W45 Y57 E58 V59 T114 | P29-V102 HydrophobicContact CG-CB 4.4Å; P29-V102 HydrophobicContact CG-CG1 4.13Å; V32-V102 HydrophobicContact CG1-CG2 3.76Å; V32-V102 HydrophobicContact CG2-CB 3.9Å; V32-V102 HydrophobicContact CG2-CG2 3.94Å; L43-V102 HydrophobicContact CD2-CG2 3.66Å; W45-V102 HydrophobicContact CD2-CB 4.48Å; W45-V102 HydrophobicContact CD2-CG1 3.91Å; W45-V102 HydrophobicContact CD2-CG2 4.04Å; W45-V102 HydrophobicContact CE3-CG1 4.38Å; W45-V102 HydrophobicContact CE3-CG2 3.77Å; W45-V102 HydrophobicContact CG-CG1 4.07Å; W45-V102 HydrophobicContact CG-CG2 4.39Å; W45-V102 HydrophobicContact CZ2-CG1 4.47Å; W45-V102 HydrophobicContact CZ3-CG2 4.3Å; Y57-V102 HydrophobicContact CD1-CG1 4Å; Y57-V102 HydrophobicContact CG-CG1 4.33Å; E58-V102 WeakPolarHBondContact O-CA 3.37Å; V59-V102 HydrophobicContact CG2-CG2 4.27Å; V102-T114 PolarHBondContact N-O 2.97Å; V102-T114 PolarHBondContact O-N 2.93Å |
| 103 | R | 95.2 | Very high | 94 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 150.3 | 164.9 | 64.7 | 177.2 | 176.1 | -176.8 | 0.4 | 110.1 | Y57 E58 V105 Y110 S111 W113 | Y57-R103 WeakPolarHBondContact CA-O 3.45Å; E58-R103 HydrophobicContact CB-CG 4.08Å; E58-R103 PolarHBondContact N-O 2.94Å; E58-R103 PolarHBondContact O-N 3.49Å; E58-R103 VanDerWaalsContact O-N 3.08Å; E58-R103 IonicContact OE2-CZ 3.59Å; E58-R103 IonicContact OE2-NE 3.6Å; E58-R103 PolarHBondContact OE2-NE 2.89Å; E58-R103 IonicContact OE2-NH2 2.7Å; E58-R103 PolarHBondContact OE2-NH2 3.16Å; R103-V105 HydrophobicContact CG-CG2 4.48Å; R103-Y110 VanDerWaalsContact CZ-CD1 3.45Å; R103-S111 WeakPolarHBondContact CA-OG 3.37Å; R103-S111 WeakPolarHBondContact CB-OG 3.47Å; R103-W113 HydrophobicContact CB-CD2 4.02Å; R103-W113 HydrophobicContact CB-CE3 3.86Å; R103-W113 HydrophobicContact CB-CG 4.48Å; R103-W113 HydrophobicContact CB-CZ3 4.29Å; R103-W113 HydrophobicContact CG-CD2 4.01Å; R103-W113 HydrophobicContact CG-CE3 3.85Å; R103-W113 HydrophobicContact CG-CH2 3.96Å; R103-W113 HydrophobicContact CG-CZ2 4.09Å; R103-W113 HydrophobicContact CG-CZ3 3.83Å |
| 104 | A | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 151.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.8 | L26 I48 T55 Y56 Y57 S111 | L26-A104 HydrophobicContact CD2-CB 3.9Å; L26-A104 HydrophobicContact CG-CB 4.43Å; I48-A104 HydrophobicContact CD1-CB 4.1Å; I48-A104 HydrophobicContact CG2-CB 3.73Å; T55-A104 HydrophobicContact CG2-CB 4.41Å; Y56-A104 CarbonylContact O-C 3.59Å; Y57-A104 HydrophobicContact CD1-CB 4.05Å; Y57-A104 HydrophobicContact CE1-CB 3.8Å; A104-S111 PolarHBondContact N-OG 2.92Å; A104-S111 PolarHBondContact O-N 2.82Å |
| 105 | V | 92.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 127.8 | 171.6 | -168.1 | 0 | 0 | 0 | 0 | 107.7 | T55 Y56 E58 R103 Q109 Y110 | T55-V105 WeakPolarHBondContact CA-O 3.32Å; Y56-V105 HydrophobicContact CD1-CB 4.48Å; Y56-V105 HydrophobicContact CD2-CB 3.93Å; Y56-V105 HydrophobicContact CD2-CG2 4.18Å; Y56-V105 HydrophobicContact CE1-CB 4.12Å; Y56-V105 HydrophobicContact CE1-CG1 4.1Å; Y56-V105 HydrophobicContact CE2-CB 3.55Å; Y56-V105 HydrophobicContact CE2-CG1 4.01Å; Y56-V105 HydrophobicContact CE2-CG2 3.73Å; Y56-V105 HydrophobicContact CG-CB 4.41Å; Y56-V105 PolarHBondContact N-O 2.76Å; Y56-V105 PolarHBondContact O-N 2.73Å; E58-V105 HydrophobicContact CG-CG2 3.83Å; R103-V105 HydrophobicContact CG-CG2 4.48Å; V105-Q109 VanDerWaalsContact CA-O 3.31Å; V105-Q109 WeakPolarHBondContact CA-O 3.42Å; V105-Q109 WeakPolarHBondContact CG1-O 3.18Å; V105-Y110 HydrophobicContact CB-CD1 4.26Å; V105-Y110 HydrophobicContact CB-CE1 4.4Å; V105-Y110 HydrophobicContact CG1-CD1 3.8Å; V105-Y110 HydrophobicContact CG1-CE1 3.65Å; V105-Y110 HydrophobicContact CG1-CG 4.31Å; V105-Y110 HydrophobicContact CG2-CD1 3.53Å; V105-Y110 HydrophobicContact CG2-CE1 3.79Å; V105-Y110 HydrophobicContact CG2-CG 4.48Å |
| 106 | D | 91.6 | Very high | 94.4 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 134.6 | 172.7 | -172.6 | 32.9 | 0 | 0 | 0 | 110.6 | L26 S52 S54 T55 S108 Q109 | L26-D106 HydrophobicContact CD1-CB 4.02Å; L26-D106 HydrophobicContact CD2-CB 4.18Å; S52-D106 PolarHBondContact OG-OD1 3.11Å; S52-D106 VanDerWaalsContact OG-OD1 3.12Å; S52-D106 PolarHBondContact OG-OD2 2.81Å; S54-D106 VanDerWaalsContact C-OD1 3.23Å; S54-D106 VanDerWaalsContact CB-OD1 3.25Å; S54-D106 WeakPolarHBondContact CB-OD1 3.49Å; S54-D106 PolarHBondContact OG-OD1 2.95Å; T55-D106 PolarHBondContact N-OD1 3.43Å; D106-S108 PolarHBondContact O-N 2.83Å; D106-Q109 PolarHBondContact N-O 2.82Å; D106-Q109 WeakPolarHBondContact O-CA 3.33Å; D106-Q109 WeakPolarHBondContact O-CB 3.45Å; D106-Q109 PolarHBondContact O-N 2.82Å |
| 107 | N | 85.6 | Confident | 94.4 | Very high | 114 Ų | 114 | 51.5 Ų | 51.5 | 61% | 0.61 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 41 | 176.9 | -70.9 | -66.9 | 0 | 0 | 0 | 114.2 | S54 Q109 | S54-N107 PolarHBondContact OG-ND2 2.93Å; S54-N107 VanDerWaalsContact OG-ND2 3.12Å; N107-Q109 PolarHBondContact O-N 3.06Å |
| 108 | S | 83.5 | Confident | 94.3 | Very high | 105 Ų | 105 | 55 Ų | 55 | 73% | 0.734 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 6.8 | -175.2 | -48.3 | 0 | 0 | 0 | 0 | 116.7 | D106 Y110 | D106-S108 PolarHBondContact O-N 2.83Å; S108-Y110 WeakPolarHBondContact O-CD2 3.43Å; S108-Y110 WeakPolarHBondContact O-CE2 3.06Å |
| 109 | Q | 90.4 | Very high | 94.2 | Very high | 99 Ų | 99 | 59 Ų | 59 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 146.2 | 163.9 | -58.6 | -179.1 | 59.6 | 0 | 0 | 109.6 | L26 V105 D106 N107 | L26-Q109 HydrophobicContact CB-CB 4.34Å; V105-Q109 VanDerWaalsContact CA-O 3.31Å; V105-Q109 WeakPolarHBondContact CA-O 3.42Å; V105-Q109 WeakPolarHBondContact CG1-O 3.18Å; D106-Q109 PolarHBondContact N-O 2.82Å; D106-Q109 WeakPolarHBondContact O-CA 3.33Å; D106-Q109 WeakPolarHBondContact O-CB 3.45Å; D106-Q109 PolarHBondContact O-N 2.82Å; N107-Q109 PolarHBondContact O-N 3.06Å |
| 110 | Y | 92.9 | Very high | 94.2 | Very high | 111 Ų | 111 | 55.1 Ų | 55.1 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.2 | -179.5 | -62.5 | -98.1 | 0 | 0 | 0 | 109.1 | R103 V105 S108 | R103-Y110 VanDerWaalsContact CZ-CD1 3.45Å; V105-Y110 HydrophobicContact CB-CD1 4.26Å; V105-Y110 HydrophobicContact CB-CE1 4.4Å; V105-Y110 HydrophobicContact CG1-CD1 3.8Å; V105-Y110 HydrophobicContact CG1-CE1 3.65Å; V105-Y110 HydrophobicContact CG1-CG 4.31Å; V105-Y110 HydrophobicContact CG2-CD1 3.53Å; V105-Y110 HydrophobicContact CG2-CE1 3.79Å; V105-Y110 HydrophobicContact CG2-CG 4.48Å; S108-Y110 WeakPolarHBondContact O-CD2 3.43Å; S108-Y110 WeakPolarHBondContact O-CE2 3.06Å |
| 111 | S | 95 | Very high | 94.2 | Very high | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 165.8 | 168 | 80.4 | 0 | 0 | 0 | 0 | 111.1 | L26 P27 S28 R103 A104 | L26-S111 VanDerWaalsContact O-CA 3.29Å; L26-S111 WeakPolarHBondContact O-CA 3.08Å; L26-S111 WeakPolarHBondContact O-CB 3.49Å; P27-S111 WeakPolarHBondContact O-CB 3.33Å; S28-S111 WeakPolarHBondContact CA-OG 3.47Å; R103-S111 WeakPolarHBondContact CA-OG 3.37Å; R103-S111 WeakPolarHBondContact CB-OG 3.47Å; A104-S111 PolarHBondContact N-OG 2.92Å; A104-S111 PolarHBondContact O-N 2.82Å |
| 112 | N | 95.8 | Very high | 94.2 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 156.7 | 159.4 | -70.7 | -59.6 | 0 | 0 | 0 | 111.1 | E25 S28 | E25-N112 PolarHBondContact OE1-ND2 2.98Å; S28-N112 VanDerWaalsContact CB-O 3.25Å; S28-N112 WeakPolarHBondContact CB-O 3.19Å |
| 113 | W | 96.4 | Very high | 94.1 | Very high | 65 Ų | 65 | 57 Ų | 57 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 116.9 | 177.2 | -72.5 | 101.9 | 0 | 0 | 0 | 111 | E58 A60 R101 R103 | E58-W113 HydrophobicContact CB-CH2 4.39Å; E58-W113 WeakPolarHBondContact O-CZ3 3.42Å; A60-W113 HydrophobicContact CB-CH2 3.86Å; A60-W113 HydrophobicContact CB-CZ3 4.01Å; R101-W113 HydrophobicContact CB-CE3 3.89Å; R101-W113 VanDerWaalsContact CD-CD2 3.49Å; R101-W113 VanDerWaalsContact CD-CE3 3.46Å; R101-W113 HydrophobicContact CG-CD2 4Å; R101-W113 HydrophobicContact CG-CE3 3.4Å; R101-W113 HydrophobicContact CG-CZ3 3.71Å; R101-W113 VanDerWaalsContact CZ-CE2 3.48Å; R103-W113 HydrophobicContact CB-CD2 4.02Å; R103-W113 HydrophobicContact CB-CE3 3.86Å; R103-W113 HydrophobicContact CB-CG 4.48Å; R103-W113 HydrophobicContact CB-CZ3 4.29Å; R103-W113 HydrophobicContact CG-CD2 4.01Å; R103-W113 HydrophobicContact CG-CE3 3.85Å; R103-W113 HydrophobicContact CG-CH2 3.96Å; R103-W113 HydrophobicContact CG-CZ2 4.09Å; R103-W113 HydrophobicContact CG-CZ3 3.83Å |
| 114 | T | 97.8 | Very high | 94.1 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.7 | 165.1 | -53 | 0 | 0 | 0 | 0 | 108.7 | S28 P29 V32 R101 V102 | S28-T114 WeakPolarHBondContact CB-OG1 3.44Å; P29-T114 WeakPolarHBondContact O-CB 3.29Å; P29-T114 VanDerWaalsContact O-CG2 3.3Å; P29-T114 WeakPolarHBondContact O-CG2 3.2Å; P29-T114 PolarHBondContact O-OG1 2.8Å; V32-T114 HydrophobicContact CB-CG2 4.31Å; V32-T114 HydrophobicContact CG2-CG2 3.62Å; R101-T114 CarbonylContact C-O 3.47Å; R101-T114 WeakPolarHBondContact CA-O 3.47Å; R101-T114 WeakPolarHBondContact CB-O 3.43Å; V102-T114 PolarHBondContact N-O 2.97Å; V102-T114 PolarHBondContact O-N 2.93Å |
| 115 | I | 97.3 | Very high | 94.2 | Very high | 76 Ų | 76 | 56.9 Ų | 56.9 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 147.4 | -175.5 | -50.6 | -177.3 | 0 | 0 | 0 | 108.6 | W69 A100 R101 E117 | W69-I115 HydrophobicContact CH2-CG2 4.02Å; W69-I115 HydrophobicContact CZ2-CD1 4.33Å; A100-I115 WeakPolarHBondContact O-CG2 3.48Å; R101-I115 HydrophobicContact CB-CB 4.4Å; R101-I115 HydrophobicContact CB-CG1 3.96Å; I115-E117 PolarHBondContact O-N 2.99Å |
| 116 | T | 97.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | trans | -55.2 | 131.7 | 169.9 | 59.4 | 0 | 0 | 0 | 0 | 110.3 | V32 F34 L43 R99 A100 T118 | V32-T116 HydrophobicContact CG1-CG2 3.85Å; V32-T116 WeakPolarHBondContact O-CA 3.35Å; F34-T116 HydrophobicContact CD2-CG2 4.04Å; F34-T116 HydrophobicContact CE2-CG2 3.96Å; L43-T116 HydrophobicContact CD1-CG2 4.04Å; R99-T116 PolarHBondContact NH1-O 3.43Å; A100-T116 HydrophobicContact CB-CG2 3.98Å; A100-T116 PolarHBondContact N-OG1 2.94Å; A100-T116 PolarHBondContact O-N 2.82Å; T116-T118 PolarHBondContact OG1-O 2.66Å; T116-T118 VanDerWaalsContact OG1-O 3.1Å | ||
| 117 | E | 94.4 | Very high | 94.7 | Very high | 163 Ų | 163 | 57.2 Ų | 57.2 | 76% | 0.762 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -61.7 | -53.2 | -178 | -62.1 | 178.9 | 174.4 | 0 | 0 | 111.2 | R99 I115 | R99-E117 PolarHBondContact NH1-O 2.75Å; R99-E117 PolarHBondContact NH2-O 3.48Å; R99-E117 VanDerWaalsContact NH2-O 3.11Å; I115-E117 PolarHBondContact O-N 2.99Å |
| 118 | T | 94.3 | Very high | 95.2 | Very high | 74 Ų | 74 | 52.7 Ų | 52.7 | 45% | 0.454 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -83.3 | 173.4 | 175.6 | 62.2 | 0 | 0 | 0 | 0 | 111.9 | T116 E124 | T116-T118 PolarHBondContact OG1-O 2.66Å; T116-T118 VanDerWaalsContact OG1-O 3.1Å; T118-E124 VanDerWaalsContact CB-OE1 3.28Å; T118-E124 WeakPolarHBondContact CB-OE1 3.43Å; T118-E124 PolarHBondContact OG1-OE1 3.07Å |
| 119 | R | 95.6 | Very high | 95.8 | Very high | 99 Ų | 99 | 48.3 Ų | 48.3 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -95.3 | 121.4 | 167.6 | 175.1 | -171.9 | 68.2 | 157.8 | -9.3 | 107.1 | Y64 S96 Y98 T121 | Y64-R119 HydrophobicContact CD2-CG 4.23Å; S96-R119 VanDerWaalsContact O-CD 3.31Å; S96-R119 WeakPolarHBondContact O-CD 3.27Å; S96-R119 PolarHBondContact O-NH1 2.04Å; Y98-R119 CarbonylContact O-C 3.36Å; Y98-R119 WeakPolarHBondContact O-CA 3.46Å; Y98-R119 WeakPolarHBondContact O-CG 3.41Å; R119-T121 HydrophobicContact CG-CG2 4.1Å; R119-T121 VanDerWaalsContact NE-CG2 3.29Å; R119-T121 PolarHBondContact O-N 2.78Å |
| 120 | F | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -65.9 | 117 | 175.7 | -179.8 | -133 | 0 | 0 | 0 | 109.9 | F34 A36 H41 L92 G97 Y98 E124 V125 | F34-F120 HydrophobicContact CB-CD2 3.92Å; F34-F120 HydrophobicContact CB-CE2 4.08Å; F34-F120 HydrophobicContact CB-CG 4.41Å; F34-F120 AromaticContact CD1-CD1 3.88Å; F34-F120 HydrophobicContact CD1-CD1 3.88Å; F34-F120 HydrophobicContact CD1-CD2 4.24Å; F34-F120 AromaticContact CD1-CE1 3.86Å; F34-F120 HydrophobicContact CD1-CE1 3.86Å; F34-F120 HydrophobicContact CD1-CE2 4.25Å; F34-F120 HydrophobicContact CD1-CG 4.09Å; F34-F120 HydrophobicContact CD1-CZ 4.06Å; F34-F120 HydrophobicContact CD2-CB 3.62Å; F34-F120 HydrophobicContact CD2-CD1 4.09Å; F34-F120 AromaticContact CD2-CD2 3.99Å; F34-F120 HydrophobicContact CD2-CD2 3.99Å; F34-F120 AromaticContact CD2-CG 3.64Å; F34-F120 HydrophobicContact CD2-CG 3.64Å; F34-F120 AromaticContact CE1-CD1 3.65Å; F34-F120 HydrophobicContact CE1-CD1 3.65Å; F34-F120 AromaticContact CE1-CE1 3.8Å; F34-F120 HydrophobicContact CE1-CE1 3.8Å; F34-F120 HydrophobicContact CE1-CG 4.2Å; F34-F120 HydrophobicContact CE1-CZ 4.45Å; F34-F120 HydrophobicContact CE2-CB 3.57Å; F34-F120 AromaticContact CE2-CD1 3.88Å; F34-F120 HydrophobicContact CE2-CD1 3.88Å; F34-F120 AromaticContact CE2-CG 3.77Å; F34-F120 HydrophobicContact CE2-CG 3.77Å; F34-F120 HydrophobicContact CG-CB 4.29Å; F34-F120 HydrophobicContact CG-CD1 4.08Å; F34-F120 AromaticContact CG-CD2 3.8Å; F34-F120 HydrophobicContact CG-CD2 3.8Å; F34-F120 HydrophobicContact CG-CE1 4.37Å; F34-F120 HydrophobicContact CG-CE2 4.14Å; F34-F120 AromaticContact CG-CG 3.79Å; F34-F120 HydrophobicContact CG-CG 3.79Å; F34-F120 HydrophobicContact CG-CZ 4.41Å; F34-F120 HydrophobicContact CZ-CB 4.21Å; F34-F120 AromaticContact CZ-CD1 3.65Å; F34-F120 HydrophobicContact CZ-CD1 3.65Å; F34-F120 HydrophobicContact CZ-CE1 4.27Å; F34-F120 HydrophobicContact CZ-CG 4.04Å; A36-F120 HydrophobicContact CB-CE2 3.46Å; A36-F120 VanDerWaalsContact CB-CE2 3.46Å; A36-F120 HydrophobicContact CB-CZ 3.61Å; H41-F120 HydrophobicContact CB-CE1 4.02Å; H41-F120 HydrophobicContact CB-CZ 3.99Å; H41-F120 AromaticContact CD2-CZ 3.88Å; H41-F120 AromaticContact CG-CE1 3.98Å; H41-F120 AromaticContact CG-CZ 3.8Å; L92-F120 HydrophobicContact CD1-CD1 3.8Å; L92-F120 HydrophobicContact CD1-CE1 3.75Å; L92-F120 HydrophobicContact CD1-CG 4.31Å; L92-F120 HydrophobicContact CD1-CZ 4.2Å; L92-F120 HydrophobicContact CD2-CD1 4.46Å; L92-F120 HydrophobicContact CD2-CE1 3.64Å; L92-F120 HydrophobicContact CD2-CE2 4.05Å; L92-F120 HydrophobicContact CD2-CZ 3.38Å; L92-F120 HydrophobicContact CG-CE1 4.29Å; L92-F120 HydrophobicContact CG-CZ 4.43Å; G97-F120 CarbonylContact C-O 3.53Å; G97-F120 WeakPolarHBondContact CA-O 3.42Å; Y98-F120 PolarHBondContact N-O 2.95Å; Y98-F120 PolarHBondContact O-N 3.23Å; F120-E124 HydrophobicContact CD2-CB 3.98Å; F120-E124 HydrophobicContact CE2-CB 4.37Å; F120-V125 HydrophobicContact CE2-CG2 4.37Å |
| 121 | T | 96.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 10% | 0.104 | 23% | 0.233 | C | C | . | . | trans | -133 | 176.6 | 175.9 | 61.9 | 0 | 0 | 0 | 0 | 109.8 | R119 D123 E124 | R119-T121 HydrophobicContact CG-CG2 4.1Å; R119-T121 VanDerWaalsContact NE-CG2 3.29Å; R119-T121 PolarHBondContact O-N 2.78Å; T121-D123 PolarHBondContact O-N 2.66Å; T121-D123 PolarHBondContact OG1-N 3.13Å; T121-D123 PolarHBondContact OG1-OD2 3.32Å; T121-E124 PolarHBondContact O-N 2.7Å; T121-E124 VanDerWaalsContact O-N 3.1Å | ||
| 122 | V | 95.8 | Very high | 96.1 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -49.7 | -30.9 | 171.6 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | Y93 E124 V125 F163 N215 | Y93-V122 HydrophobicContact CD1-CB 4.34Å; Y93-V122 HydrophobicContact CD1-CG1 3.87Å; Y93-V122 HydrophobicContact CD1-CG2 3.68Å; Y93-V122 HydrophobicContact CE1-CG1 4.11Å; Y93-V122 HydrophobicContact CE1-CG2 4.39Å; Y93-V122 HydrophobicContact CG-CG2 4.36Å; V122-E124 VanDerWaalsContact C-N 3.33Å; V122-E124 PolarHBondContact O-N 3.22Å; V122-V125 VanDerWaalsContact O-CB 3.28Å; V122-V125 WeakPolarHBondContact O-CB 3.5Å; V122-V125 WeakPolarHBondContact O-CG2 3.21Å; V122-V125 PolarHBondContact O-N 3.22Å; V122-F163 HydrophobicContact CG1-CE1 3.93Å; V122-F163 HydrophobicContact CG1-CZ 4.1Å; V122-N215 PolarHBondContact O-ND2 2.79Å |
| 123 | D | 94.5 | Very high | 96.1 | Very high | 52 Ų | 52 | 43.6 Ų | 43.6 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -77.8 | -17.9 | -174.6 | -37.1 | -70.5 | 0 | 0 | 0 | 113.2 | T121 V125 R213 I214 N215 | T121-D123 PolarHBondContact O-N 2.66Å; T121-D123 PolarHBondContact OG1-N 3.13Å; T121-D123 PolarHBondContact OG1-OD2 3.32Å; D123-V125 VanDerWaalsContact C-N 3.35Å; D123-R213 IonicContact OD1-CZ 3.88Å; D123-R213 IonicContact OD1-NH1 3.35Å; D123-R213 PolarHBondContact OD1-NH1 2.83Å; D123-I214 HydrophobicContact CB-CG1 4.27Å; D123-N215 PolarHBondContact O-ND2 3.36Å |
| 124 | E | 95.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 41 Ų | 41 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -85.6 | -8.2 | 171 | -68.7 | -85.9 | -145.4 | 0 | 0 | 112.4 | T118 F120 T121 V122 K216 | T118-E124 VanDerWaalsContact CB-OE1 3.28Å; T118-E124 WeakPolarHBondContact CB-OE1 3.43Å; T118-E124 PolarHBondContact OG1-OE1 3.07Å; F120-E124 HydrophobicContact CD2-CB 3.98Å; F120-E124 HydrophobicContact CE2-CB 4.37Å; T121-E124 PolarHBondContact O-N 2.7Å; T121-E124 VanDerWaalsContact O-N 3.1Å; V122-E124 VanDerWaalsContact C-N 3.33Å; V122-E124 PolarHBondContact O-N 3.22Å; E124-K216 IonicContact OE2-NZ 3.73Å; E124-K216 PolarHBondContact OE2-NZ 2.84Å |
| 125 | V | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 134.6 | 175.3 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | A36 L92 Y93 F120 V122 D123 N215 | A36-V125 HydrophobicContact CB-CG2 4.28Å; L92-V125 HydrophobicContact CD2-CG2 3.78Å; Y93-V125 HydrophobicContact CE1-CG2 4.35Å; F120-V125 HydrophobicContact CE2-CG2 4.37Å; V122-V125 VanDerWaalsContact O-CB 3.28Å; V122-V125 WeakPolarHBondContact O-CB 3.5Å; V122-V125 WeakPolarHBondContact O-CG2 3.21Å; V122-V125 PolarHBondContact O-N 3.22Å; D123-V125 VanDerWaalsContact C-N 3.35Å; V125-N215 PolarHBondContact O-ND2 2.82Å |
| 126 | I | 97.6 | Very high | 95.1 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.5 | 174.7 | -57.4 | 170.7 | 0 | 0 | 0 | 108.3 | E35 A36 R37 T128 K216 E218 | E35-I126 HydrophobicContact CG-CD1 4.43Å; A36-I126 WeakPolarHBondContact O-CB 3.48Å; A36-I126 WeakPolarHBondContact O-CG1 3.24Å; A36-I126 PolarHBondContact O-N 3.32Å; R37-I126 HydrophobicContact CG-CB 4.3Å; I126-T128 HydrophobicContact CG2-CG2 4.32Å; I126-K216 WeakPolarHBondContact CA-O 3.14Å; I126-K216 HydrophobicContact CG1-CB 4.33Å; I126-E218 HydrophobicContact CG2-CB 4.31Å; I126-E218 HydrophobicContact CG2-CG 3.66Å |
| 127 | L | 97.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 130.6 | 173.4 | -60.4 | 176.3 | 0 | 0 | 0 | 109.7 | Y159 F163 P208 V210 N215 K216 A217 E218 | L127-Y159 HydrophobicContact CD2-CE2 4.32Å; L127-F163 HydrophobicContact CD2-CD2 4.48Å; L127-F163 HydrophobicContact CD2-CE1 4Å; L127-F163 HydrophobicContact CD2-CE2 3.87Å; L127-F163 HydrophobicContact CD2-CZ 3.6Å; L127-P208 HydrophobicContact CB-CB 4.22Å; L127-P208 HydrophobicContact CB-CG 3.7Å; L127-V210 HydrophobicContact CD1-CB 4.24Å; L127-V210 HydrophobicContact CD1-CG2 3.88Å; L127-N215 HydrophobicContact CD1-CB 3.72Å; L127-N215 HydrophobicContact CD2-CB 4.41Å; L127-N215 HydrophobicContact CG-CB 3.69Å; L127-K216 PolarHBondContact N-O 3.5Å; L127-A217 HydrophobicContact CB-CB 4.17Å; L127-A217 WeakPolarHBondContact O-CA 3.4Å; L127-E218 PolarHBondContact O-N 3.11Å |
| 128 | T | 96.8 | Very high | 93.9 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | trans | -133.8 | 162.7 | -178.1 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | R37 I126 P148 E218 | R37-T128 HydrophobicContact CG-CG2 3.99Å; I126-T128 HydrophobicContact CG2-CG2 4.32Å; T128-P148 WeakPolarHBondContact O-CD 3.43Å; T128-E218 HydrophobicContact CG2-CB 4.26Å; T128-E218 WeakPolarHBondContact CG2-OE2 3.08Å | ||
| 129 | V | 96.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | trans | -120.8 | 131.9 | 168.7 | 164.2 | 0 | 0 | 0 | 0 | 105.2 | S131 V132 I145 Y169 V206 P208 | V129-S131 WeakPolarHBondContact CG1-O 3.46Å; V129-V132 HydrophobicContact CG1-CG2 3.81Å; V129-I145 HydrophobicContact CB-CG2 4.38Å; V129-I145 HydrophobicContact CG1-CG2 3.7Å; V129-I145 HydrophobicContact CG2-CG2 3.7Å; V129-Y169 HydrophobicContact CG2-CD1 4.34Å; V129-Y169 HydrophobicContact CG2-CE1 4.2Å; V129-V206 HydrophobicContact CG2-CG1 4.4Å; V129-P208 HydrophobicContact CG2-CB 4.11Å; V129-P208 HydrophobicContact CG2-CG 4.09Å | ||
| 130 | D | 94.6 | Very high | 92.9 | Very high | 109 Ų | 109 | 43.8 Ų | 43.8 | 58% | 0.583 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -67.3 | -55.4 | 179.9 | 169.7 | 90.8 | 0 | 0 | 0 | 110.2 | H146 | D130-H146 PolarHBondContact N-O 3.02Å; D130-H146 VanDerWaalsContact N-O 3.08Å |
| 131 | S | 94.2 | Very high | 92.6 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 31% | 0.308 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 159.9 | -177.8 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | V129 H146 | V129-S131 WeakPolarHBondContact CG1-O 3.46Å; S131-H146 WeakPolarHBondContact O-CB 3.4Å; S131-H146 PolarHBondContact O-N 2.88Å; S131-H146 PolarHBondContact OG-CD2 3.15Å |
| 132 | V | 95.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.7 | 174.9 | -168.4 | 0 | 0 | 0 | 0 | 107.7 | V129 V134 V206 Q223 | V129-V132 HydrophobicContact CG1-CG2 3.81Å; V132-V134 HydrophobicContact CG1-CG2 3.7Å; V132-V206 HydrophobicContact CG1-CG2 4.06Å; V132-V206 HydrophobicContact CG2-CB 4.02Å; V132-V206 HydrophobicContact CG2-CG2 3.78Å; V132-Q223 VanDerWaalsContact O-CD 3.3Å; V132-Q223 PolarHBondContact O-NE2 3.13Å; V132-Q223 PolarHBondContact O-OE1 2.93Å |
| 133 | T | 94.4 | Very high | 92.3 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 33% | 0.331 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 111.4 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | G143 T144 H146 | T133-G143 CarbonylContact O-C 3.59Å; T133-G143 WeakPolarHBondContact O-CA 3.49Å; T133-T144 PolarHBondContact N-O 2.86Å; T133-T144 PolarHBondContact O-N 2.59Å; T133-H146 PolarHBondContact OG1-NE2 3.05Å |
| 134 | V | 92.7 | Very high | 92.4 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.055 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.9 | -177.5 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | V132 I141 Y142 V204 Q223 L225 | V132-V134 HydrophobicContact CG1-CG2 3.7Å; V134-I141 HydrophobicContact CG1-CG2 3.29Å; V134-Y142 CarbonylContact C-O 3.59Å; V134-Y142 WeakPolarHBondContact CA-O 3.37Å; V134-V204 HydrophobicContact CG1-CG2 4.39Å; V134-V204 HydrophobicContact CG2-CB 4.26Å; V134-V204 HydrophobicContact CG2-CG1 4.31Å; V134-V204 HydrophobicContact CG2-CG2 4.48Å; V134-Q223 VanDerWaalsContact CB-OE1 3.3Å; V134-L225 HydrophobicContact CB-CD1 3.69Å; V134-L225 HydrophobicContact CG1-CD1 3.46Å; V134-L225 VanDerWaalsContact CG1-CD1 3.46Å |
| 135 | K | 90.8 | Very high | 92.5 | Very high | 144 Ų | 144 | 44.5 Ų | 44.5 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148.2 | 177.2 | -64 | 175.7 | -178.1 | 173.5 | 0 | 109.3 | Y142 | K135-Y142 PolarHBondContact N-O 3.36Å; K135-Y142 PolarHBondContact O-N 3Å |
| 136 | V | 87.9 | Confident | 92.4 | Very high | 50 Ų | 50 | 47.8 Ų | 47.8 | 30% | 0.303 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.7 | 174.7 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | F140 V195 F202 L225 V227 | V136-F140 WeakPolarHBondContact CA-O 3.41Å; V136-V195 HydrophobicContact CG1-CG2 3.88Å; V136-F202 HydrophobicContact CG2-CE1 4.1Å; V136-F202 HydrophobicContact CG2-CZ 3.66Å; V136-L225 HydrophobicContact CG2-CD1 4.16Å; V136-V227 HydrophobicContact CG1-CG1 4.34Å; V136-V227 HydrophobicContact CG1-CG2 4.31Å |
| 137 | S | 83.9 | Confident | 92.3 | Very high | 57 Ų | 57 | 47.3 Ų | 47.3 | 40% | 0.399 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 141.4 | 173.9 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | G139 F140 | S137-G139 PolarHBondContact O-N 3.27Å; S137-F140 PolarHBondContact N-O 3.47Å; S137-F140 PolarHBondContact O-N 2.85Å |
| 138 | N | 82.4 | Confident | 92.2 | Very high | 124 Ų | 124 | 47.7 Ų | 47.7 | 66% | 0.663 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 29 | 175 | -60.4 | -19.4 | 0 | 0 | 0 | 115.9 | F140 | N138-F140 WeakPolarHBondContact O-CD2 3.33Š|
| 139 | G | 81.1 | Confident | 92 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 45% | 0.454 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 7.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S137 V195 | S137-G139 PolarHBondContact O-N 3.27Å; G139-V195 VanDerWaalsContact O-CB 3.27Å; G139-V195 WeakPolarHBondContact O-CB 3.45Å; G139-V195 VanDerWaalsContact O-CG2 3.31Å; G139-V195 WeakPolarHBondContact O-CG2 3.21Å; G139-V195 PolarHBondContact O-N 3.09Å |
| 140 | F | 88.2 | Confident | 91.9 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 147.9 | 175.3 | -65.3 | -87.4 | 0 | 0 | 0 | 112 | V136 S137 N138 Y142 T192 E194 | V136-F140 WeakPolarHBondContact CA-O 3.41Å; S137-F140 PolarHBondContact N-O 3.47Å; S137-F140 PolarHBondContact O-N 2.85Å; N138-F140 WeakPolarHBondContact O-CD2 3.33Å; F140-Y142 HydrophobicContact CB-CD2 4.36Å; F140-Y142 HydrophobicContact CB-CE2 3.67Å; F140-T192 HydrophobicContact CB-CG2 4.02Å; F140-T192 HydrophobicContact CD1-CG2 3.89Å; F140-T192 HydrophobicContact CG-CG2 4.25Å; F140-E194 HydrophobicContact CD1-CG 4.21Å; F140-E194 HydrophobicContact CE1-CG 3.76Å |
| 141 | I | 89.8 | Confident | 91.6 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 111.9 | 172.2 | -54.5 | 179.8 | 0 | 0 | 0 | 106.8 | V134 I173 F191 T192 L193 V195 F202 | V134-I141 HydrophobicContact CG1-CG2 3.29Å; I141-I173 HydrophobicContact CD1-CD1 3.85Å; I141-F191 HydrophobicContact CG2-CE2 4.47Å; I141-T192 CarbonylContact O-C 3.43Å; I141-T192 WeakPolarHBondContact O-CA 3.46Å; I141-L193 HydrophobicContact CB-CB 4.35Å; I141-L193 WeakPolarHBondContact CB-O 3.23Å; I141-L193 PolarHBondContact N-O 2.87Å; I141-L193 PolarHBondContact O-N 2.76Å; I141-V195 HydrophobicContact CD1-CG2 4.23Å; I141-V195 HydrophobicContact CG1-CB 4.38Å; I141-V195 HydrophobicContact CG1-CG2 3.48Å; I141-V195 VanDerWaalsContact CG1-CG2 3.48Å; I141-F202 HydrophobicContact CD1-CE1 4.33Å; I141-F202 HydrophobicContact CD1-CE2 3.85Å; I141-F202 HydrophobicContact CD1-CZ 3.68Å; I141-F202 HydrophobicContact CG1-CE2 4.42Å; I141-F202 HydrophobicContact CG1-CZ 3.88Å |
| 142 | Y | 92.9 | Very high | 91.3 | Very high | 97 Ų | 97 | 59.3 Ų | 59.3 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 115.5 | 172.5 | -61.1 | -86.3 | 0 | 0 | 0 | 108.1 | V134 K135 F140 T192 | V134-Y142 CarbonylContact C-O 3.59Å; V134-Y142 WeakPolarHBondContact CA-O 3.37Å; K135-Y142 PolarHBondContact N-O 3.36Å; K135-Y142 PolarHBondContact O-N 3Å; F140-Y142 HydrophobicContact CB-CD2 4.36Å; F140-Y142 HydrophobicContact CB-CE2 3.67Å; Y142-T192 HydrophobicContact CD1-CG2 4.06Å; Y142-T192 WeakPolarHBondContact CD1-OG1 3.14Å; Y142-T192 HydrophobicContact CE1-CG2 3.78Å |
| 143 | G | 94.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T133 N190 F191 | T133-G143 CarbonylContact O-C 3.59Å; T133-G143 WeakPolarHBondContact O-CA 3.49Å; G143-N190 CarbonylContact O-C 3.54Å; G143-N190 WeakPolarHBondContact O-CA 3.41Å; G143-F191 PolarHBondContact N-O 3.22Å; G143-F191 PolarHBondContact O-N 2.83Å |
| 144 | T | 96.8 | Very high | 91.1 | Very high | 47 Ų | 47 | 60.4 Ų | 60.4 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.9 | 165.1 | -58 | 0 | 0 | 0 | 0 | 107.9 | T133 E189 N190 | T133-T144 PolarHBondContact N-O 2.86Å; T133-T144 PolarHBondContact O-N 2.59Å; T144-E189 CarbonylContact C-O 3.58Å; T144-E189 WeakPolarHBondContact CA-O 3.44Å; T144-N190 WeakPolarHBondContact CB-OD1 2.97Å; T144-N190 WeakPolarHBondContact CG2-OD1 3.01Å; T144-N190 PolarHBondContact OG1-OD1 3.42Å |
| 145 | I | 96.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.9 | 174.6 | -59.6 | 168 | 0 | 0 | 0 | 107 | V129 P147 Y169 V186 E189 F191 V206 | V129-I145 HydrophobicContact CB-CG2 4.38Å; V129-I145 HydrophobicContact CG1-CG2 3.7Å; V129-I145 HydrophobicContact CG2-CG2 3.7Å; I145-P147 WeakPolarHBondContact O-CD 3.43Å; I145-Y169 HydrophobicContact CD1-CD1 3.78Å; I145-Y169 HydrophobicContact CD1-CD2 3.94Å; I145-Y169 HydrophobicContact CD1-CE1 4.43Å; I145-Y169 HydrophobicContact CD1-CG 3.49Å; I145-Y169 VanDerWaalsContact CD1-CG 3.49Å; I145-Y169 HydrophobicContact CG2-CD1 4.06Å; I145-Y169 HydrophobicContact CG2-CE1 3.88Å; I145-V186 HydrophobicContact CD1-CG2 4.36Å; I145-E189 HydrophobicContact CB-CB 4.38Å; I145-E189 WeakPolarHBondContact CB-O 3.43Å; I145-E189 WeakPolarHBondContact CG1-O 3.35Å; I145-E189 PolarHBondContact N-O 2.75Å; I145-F191 HydrophobicContact CD1-CD1 3.83Å; I145-F191 HydrophobicContact CD1-CE1 3.84Å; I145-F191 HydrophobicContact CG1-CD1 4.03Å; I145-F191 HydrophobicContact CG1-CE1 3.74Å; I145-V206 HydrophobicContact CD1-CG1 3.92Å; I145-V206 HydrophobicContact CG1-CG1 4.35Å; I145-V206 HydrophobicContact CG1-CG2 4.42Å |
| 146 | H | 95.8 | Very high | 90.9 | Very high | 70 Ų | 70 | 62.8 Ų | 62.8 | 32% | 0.324 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 111.2 | 175.8 | -59.4 | -61.1 | 0 | 0 | 0 | 109.4 | D130 S131 T133 | D130-H146 PolarHBondContact N-O 3.02Å; D130-H146 VanDerWaalsContact N-O 3.08Å; S131-H146 WeakPolarHBondContact O-CB 3.4Å; S131-H146 PolarHBondContact O-N 2.88Å; S131-H146 PolarHBondContact OG-CD2 3.15Å; T133-H146 PolarHBondContact OG1-NE2 3.05Å |
| 147 | P | 94.8 | Very high | 91.2 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | trans | -63.5 | 154.8 | 174.9 | -24.7 | 37.8 | 0 | 0 | 0 | 112.1 | I145 R149 Y159 E160 E189 | I145-P147 WeakPolarHBondContact O-CD 3.43Å; P147-R149 PolarHBondContact O-N 2.85Å; P147-Y159 HydrophobicContact CB-CD1 3.66Å; P147-Y159 HydrophobicContact CB-CE1 4.33Å; P147-Y159 HydrophobicContact CB-CG 3.86Å; P147-Y159 HydrophobicContact CG-CD1 4.28Å; P147-E160 HydrophobicContact CG-CG 4.46Å; P147-E160 WeakPolarHBondContact CG-OE1 3.39Å; P147-E189 HydrophobicContact CG-CG 4.32Å | ||
| 148 | P | 95.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 62.5 Ų | 62.5 | 7% | 0.071 | 35% | 0.345 | C | S | . | . | trans | -62.3 | 123.6 | -178.6 | 25.3 | -34.2 | 0 | 0 | 0 | 111.8 | F38 T128 P150 Y159 | F38-P148 HydrophobicContact CB-CB 4.22Å; F38-P148 HydrophobicContact CB-CG 3.71Å; F38-P148 HydrophobicContact CD1-CB 4.31Å; F38-P148 HydrophobicContact CD1-CG 3.92Å; F38-P148 WeakPolarHBondContact CD1-O 3.45Å; F38-P148 HydrophobicContact CG-CG 4.05Å; T128-P148 WeakPolarHBondContact O-CD 3.43Å; P148-P150 VanDerWaalsContact C-CD 3.42Å; P148-P150 WeakPolarHBondContact O-CD 3.41Å; P148-Y159 HydrophobicContact CG-CD2 3.6Å; P148-Y159 HydrophobicContact CG-CE2 3.94Å; P148-Y159 HydrophobicContact CG-CG 4.35Å | ||
| 149 | R | 94.1 | Very high | 92.3 | Very high | 127 Ų | 127 | 56.7 Ų | 56.7 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | trans | -116.9 | 73.1 | 175.6 | -58.3 | -48.5 | -165.8 | 115.5 | -12.4 | 112.1 | P147 E158 E160 | P147-R149 PolarHBondContact O-N 2.85Å; R149-E158 IonicContact CZ-OE2 3.43Å; R149-E158 VanDerWaalsContact NH1-CD 3.29Å; R149-E158 IonicContact NH1-OE2 2.79Å; R149-E158 PolarHBondContact NH1-OE2 2.77Å; R149-E158 IonicContact NH2-OE2 2.72Å; R149-E158 PolarHBondContact NH2-OE2 3.24Å; R149-E160 IonicContact CZ-OE1 2.87Å; R149-E160 IonicContact CZ-OE2 3.28Å; R149-E160 IonicContact NE-OE1 3.21Å; R149-E160 IonicContact NE-OE2 2.9Å; R149-E160 IonicContact NH2-OE1 3.1Å; R149-E160 PolarHBondContact NH2-OE1 2.83Å; R149-E160 IonicContact NH2-OE2 3.8Å; R149-E160 PolarHBondContact NH2-OE2 3.48Å | ||
| 150 | P | 92.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | trans | -61.3 | 153.9 | 175.1 | -21.6 | 33 | 0 | 0 | 0 | 113.1 | F38 F39 P148 L152 V153 | F38-P150 HydrophobicContact CD1-CG 4.4Å; F38-P150 VanDerWaalsContact O-CG 3.23Å; F38-P150 WeakPolarHBondContact O-CG 3.47Å; F39-P150 HydrophobicContact CB-CB 4.27Å; F39-P150 HydrophobicContact CB-CG 4.06Å; P148-P150 VanDerWaalsContact C-CD 3.42Å; P148-P150 WeakPolarHBondContact O-CD 3.41Å; P150-L152 PolarHBondContact O-N 2.72Å; P150-L152 VanDerWaalsContact O-N 3.1Å; P150-V153 HydrophobicContact CB-CG2 4.17Å; P150-V153 HydrophobicContact CG-CG2 4.29Å; P150-V153 WeakPolarHBondContact O-CG2 3.35Å | ||
| 151 | N | 88.5 | Confident | 93.2 | Very high | 179 Ų | 179 | 58.2 Ų | 58.2 | 96% | 0.957 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -10.9 | 178.2 | -63.7 | -38.3 | 0 | 0 | 0 | 114.6 | ||
| 152 | L | 88.5 | Confident | 93.4 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 42% | 0.419 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 52.1 | -171 | -161.8 | 76.7 | 0 | 0 | 0 | 111.9 | F39 T86 T87 L90 P150 | F39-L152 WeakPolarHBondContact CD1-O 3.31Å; T86-L152 HydrophobicContact CG2-CD2 4.03Å; T87-L152 HydrophobicContact CG2-CD2 3.73Å; L90-L152 HydrophobicContact CD2-CD2 3.9Å; L90-L152 HydrophobicContact CD2-CG 4.03Å; P150-L152 PolarHBondContact O-N 2.72Å; P150-L152 VanDerWaalsContact O-N 3.1Å |
| 153 | V | 92.8 | Very high | 93.4 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | trans | -104.2 | 126.7 | 176.6 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | F38 F39 P150 D157 | F38-V153 HydrophobicContact CE1-CG2 4.41Å; F39-V153 HydrophobicContact CB-CG2 4.06Å; F39-V153 HydrophobicContact CD2-CB 4.44Å; F39-V153 HydrophobicContact CD2-CG1 4.25Å; F39-V153 HydrophobicContact CD2-CG2 3.81Å; F39-V153 HydrophobicContact CE2-CG1 4.09Å; F39-V153 HydrophobicContact CE2-CG2 4.46Å; F39-V153 HydrophobicContact CG-CG2 3.97Å; P150-V153 HydrophobicContact CB-CG2 4.17Å; P150-V153 HydrophobicContact CG-CG2 4.29Å; P150-V153 WeakPolarHBondContact O-CG2 3.35Å; V153-D157 HydrophobicContact CG1-CB 4.19Å; V153-D157 WeakPolarHBondContact CG1-O 3.43Å | ||
| 154 | P | 92.6 | Very high | 93.3 | Very high | 42 Ų | 42 | 58.2 Ų | 58.2 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | trans | -60.5 | 148.5 | 171.2 | -22.6 | 33.5 | 0 | 0 | 0 | 112.9 | F39 L90 G156 D157 | F39-P154 HydrophobicContact CE1-CG 3.9Å; F39-P154 VanDerWaalsContact CZ-CD 3.41Å; F39-P154 HydrophobicContact CZ-CG 4.14Å; L90-P154 HydrophobicContact CB-CG 4.24Å; P154-G156 PolarHBondContact O-N 3.28Å; P154-D157 HydrophobicContact CB-CB 4.15Å; P154-D157 HydrophobicContact CG-CB 4.35Å; P154-D157 PolarHBondContact O-N 2.79Å | ||
| 155 | V | 89.6 | Confident | 93 | Very high | 159 Ų | 159 | 62 Ų | 62 | 96% | 0.964 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 120.7 | 176.9 | -179 | 0 | 0 | 0 | 0 | 109.7 | ||
| 156 | G | 89.6 | Confident | 92.7 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.4 | -17.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P154 E158 Q161 | P154-G156 PolarHBondContact O-N 3.28Å; G156-E158 VanDerWaalsContact C-N 3.34Å; G156-E158 PolarHBondContact O-N 2.96Å; G156-Q161 WeakPolarHBondContact O-CB 3.33Å; G156-Q161 WeakPolarHBondContact O-CG 3.44Å |
| 157 | D | 94.4 | Very high | 92.6 | Very high | 19 Ų | 19 | 65.9 Ų | 65.9 | 10% | 0.102 | 35% | 0.349 | C | S | . | . | trans | -97 | 33.6 | -176.5 | -67.9 | -2.5 | 0 | 0 | 0 | 112.7 | F38 F39 H94 V153 P154 I162 | F38-D157 WeakPolarHBondContact CZ-O 3.21Å; F39-D157 HydrophobicContact CE2-CB 3.87Å; F39-D157 WeakPolarHBondContact CE2-O 3.5Å; F39-D157 HydrophobicContact CZ-CB 3.64Å; H94-D157 IonicContact CD2-OD1 3.98Å; H94-D157 IonicContact CD2-OD2 3.6Å; H94-D157 IonicContact CE1-OD1 2.61Å; H94-D157 IonicContact NE2-OD1 2.77Å; H94-D157 PolarHBondContact NE2-OD1 2.9Å; H94-D157 IonicContact NE2-OD2 3.71Å; V153-D157 HydrophobicContact CG1-CB 4.19Å; V153-D157 WeakPolarHBondContact CG1-O 3.43Å; P154-D157 HydrophobicContact CB-CB 4.15Å; P154-D157 HydrophobicContact CG-CB 4.35Å; P154-D157 PolarHBondContact O-N 2.79Å; D157-I162 HydrophobicContact CB-CD1 3.97Å; D157-I162 HydrophobicContact CB-CG1 4.26Å | ||
| 158 | E | 94.7 | Very high | 92.7 | Very high | 81 Ų | 81 | 66.3 Ų | 66.3 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | trans | -63.8 | 154.5 | 173.9 | -60.1 | -175.4 | -151.2 | 0 | 0 | 111.3 | R149 G156 E160 Q161 I162 | R149-E158 IonicContact CZ-OE2 3.43Å; R149-E158 VanDerWaalsContact NH1-CD 3.29Å; R149-E158 IonicContact NH1-OE2 2.79Å; R149-E158 PolarHBondContact NH1-OE2 2.77Å; R149-E158 IonicContact NH2-OE2 2.72Å; R149-E158 PolarHBondContact NH2-OE2 3.24Å; G156-E158 VanDerWaalsContact C-N 3.34Å; G156-E158 PolarHBondContact O-N 2.96Å; E158-E160 PolarHBondContact O-N 3.12Å; E158-E160 VanDerWaalsContact O-N 3.16Å; E158-Q161 HydrophobicContact CB-CG 4.09Å; E158-Q161 WeakPolarHBondContact O-CA 3.33Å; E158-Q161 WeakPolarHBondContact O-CB 3.11Å; E158-Q161 PolarHBondContact O-N 3.42Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.49Å | ||
| 159 | Y | 94.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.9 | -40.6 | -175.2 | -177.5 | -87.6 | 0 | 0 | 0 | 112.4 | F38 L127 P147 P148 Q161 F163 | F38-Y159 HydrophobicContact CB-CD2 4.42Å; F38-Y159 HydrophobicContact CD1-CD2 4.07Å; F38-Y159 AromaticContact CD2-CD2 3.89Å; F38-Y159 HydrophobicContact CD2-CD2 3.89Å; F38-Y159 HydrophobicContact CE1-CD2 4.3Å; F38-Y159 HydrophobicContact CE2-CD2 4.13Å; F38-Y159 AromaticContact CG-CD2 3.86Å; F38-Y159 HydrophobicContact CG-CD2 3.86Å; F38-Y159 HydrophobicContact CZ-CD2 4.33Å; L127-Y159 HydrophobicContact CD2-CE2 4.32Å; P147-Y159 HydrophobicContact CB-CD1 3.66Å; P147-Y159 HydrophobicContact CB-CE1 4.33Å; P147-Y159 HydrophobicContact CB-CG 3.86Å; P147-Y159 HydrophobicContact CG-CD1 4.28Å; P148-Y159 HydrophobicContact CG-CD2 3.6Å; P148-Y159 HydrophobicContact CG-CE2 3.94Å; P148-Y159 HydrophobicContact CG-CG 4.35Å; Y159-Q161 VanDerWaalsContact C-N 3.31Å; Y159-Q161 PolarHBondContact O-N 3.24Å; Y159-F163 HydrophobicContact CD1-CD2 4.27Å; Y159-F163 AromaticContact CD2-CD2 3.76Å; Y159-F163 HydrophobicContact CD2-CD2 3.76Å; Y159-F163 AromaticContact CD2-CE2 3.89Å; Y159-F163 HydrophobicContact CD2-CE2 3.89Å; Y159-F163 HydrophobicContact CE1-CD2 4.16Å; Y159-F163 AromaticContact CE2-CD2 3.64Å; Y159-F163 HydrophobicContact CE2-CD2 3.64Å; Y159-F163 AromaticContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CG-CD2 4.09Å; Y159-F163 AromaticContact CZ-CD2 3.84Å; Y159-F163 WeakPolarHBondContact O-CB 3.19Å; Y159-F163 WeakPolarHBondContact O-CD2 3.28Å; Y159-F163 PolarHBondContact O-N 2.61Å |
| 160 | E | 94 | Very high | 92.8 | Very high | 44 Ų | 44 | 66 Ų | 66 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.5 | -22.6 | 179.5 | -55.1 | 89.2 | 149.9 | 0 | 0 | 112.5 | P147 R149 E158 T164 | P147-E160 HydrophobicContact CG-CG 4.46Å; P147-E160 WeakPolarHBondContact CG-OE1 3.39Å; R149-E160 IonicContact CZ-OE1 2.87Å; R149-E160 IonicContact CZ-OE2 3.28Å; R149-E160 IonicContact NE-OE1 3.21Å; R149-E160 IonicContact NE-OE2 2.9Å; R149-E160 IonicContact NH2-OE1 3.1Å; R149-E160 PolarHBondContact NH2-OE1 2.83Å; R149-E160 IonicContact NH2-OE2 3.8Å; R149-E160 PolarHBondContact NH2-OE2 3.48Å; E158-E160 PolarHBondContact O-N 3.12Å; E158-E160 VanDerWaalsContact O-N 3.16Å; E160-T164 VanDerWaalsContact O-CA 3.29Å; E160-T164 WeakPolarHBondContact O-CA 3.47Å |
| 161 | Q | 94.1 | Very high | 92.9 | Very high | 112 Ų | 112 | 64 Ų | 64 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -82.6 | -48.5 | 172.8 | -60.1 | -64.5 | -18.5 | 0 | 0 | 110.5 | G156 E158 Y159 F163 T164 | G156-Q161 WeakPolarHBondContact O-CB 3.33Å; G156-Q161 WeakPolarHBondContact O-CG 3.44Å; E158-Q161 HydrophobicContact CB-CG 4.09Å; E158-Q161 WeakPolarHBondContact O-CA 3.33Å; E158-Q161 WeakPolarHBondContact O-CB 3.11Å; E158-Q161 PolarHBondContact O-N 3.42Å; Y159-Q161 VanDerWaalsContact C-N 3.31Å; Y159-Q161 PolarHBondContact O-N 3.24Å; Q161-F163 VanDerWaalsContact C-N 3.33Å; Q161-F163 PolarHBondContact O-N 3.35Å; Q161-T164 PolarHBondContact O-N 2.58Å; Q161-T164 PolarHBondContact O-OG1 2.74Å |
| 162 | I | 94.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 178.6 | -63.3 | -49.7 | 0 | 0 | 0 | 112.3 | F38 Y93 D157 E158 | F38-I162 HydrophobicContact CE2-CB 4.16Å; F38-I162 HydrophobicContact CE2-CG1 4.13Å; F38-I162 HydrophobicContact CE2-CG2 4.23Å; F38-I162 HydrophobicContact CZ-CG1 4.22Å; Y93-I162 HydrophobicContact CD1-CG2 3.46Å; Y93-I162 VanDerWaalsContact CD1-CG2 3.46Å; Y93-I162 HydrophobicContact CE1-CG2 4.11Å; Y93-I162 HydrophobicContact CG-CD1 4.27Å; Y93-I162 HydrophobicContact CG-CG1 4.34Å; Y93-I162 HydrophobicContact CG-CG2 3.97Å; D157-I162 HydrophobicContact CB-CD1 3.97Å; D157-I162 HydrophobicContact CB-CG1 4.26Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.49Å |
| 163 | F | 93.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 55.4 | 177.6 | -57.3 | -70.7 | 0 | 0 | 0 | 110.7 | F38 V122 L127 Y159 Q161 H165 R167 V210 | F38-F163 AromaticContact CD2-CE2 3.93Å; F38-F163 HydrophobicContact CD2-CE2 3.93Å; F38-F163 HydrophobicContact CE2-CE2 4Å; V122-F163 HydrophobicContact CG1-CE1 3.93Å; V122-F163 HydrophobicContact CG1-CZ 4.1Å; L127-F163 HydrophobicContact CD2-CD2 4.48Å; L127-F163 HydrophobicContact CD2-CE1 4Å; L127-F163 HydrophobicContact CD2-CE2 3.87Å; L127-F163 HydrophobicContact CD2-CZ 3.6Å; Y159-F163 HydrophobicContact CD1-CD2 4.27Å; Y159-F163 AromaticContact CD2-CD2 3.76Å; Y159-F163 HydrophobicContact CD2-CD2 3.76Å; Y159-F163 AromaticContact CD2-CE2 3.89Å; Y159-F163 HydrophobicContact CD2-CE2 3.89Å; Y159-F163 HydrophobicContact CE1-CD2 4.16Å; Y159-F163 AromaticContact CE2-CD2 3.64Å; Y159-F163 HydrophobicContact CE2-CD2 3.64Å; Y159-F163 AromaticContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CG-CD2 4.09Å; Y159-F163 AromaticContact CZ-CD2 3.84Å; Y159-F163 WeakPolarHBondContact O-CB 3.19Å; Y159-F163 WeakPolarHBondContact O-CD2 3.28Å; Y159-F163 PolarHBondContact O-N 2.61Å; Q161-F163 VanDerWaalsContact C-N 3.33Å; Q161-F163 PolarHBondContact O-N 3.35Å; F163-H165 VanDerWaalsContact C-N 3.28Å; F163-H165 PolarHBondContact O-N 3.24Å; F163-H165 VanDerWaalsContact O-N 3.13Å; F163-R167 HydrophobicContact CB-CG 4.14Å; F163-R167 WeakPolarHBondContact O-CD 3.3Å; F163-R167 WeakPolarHBondContact O-CG 3.4Å; F163-R167 PolarHBondContact O-NH1 3.09Å; F163-V210 HydrophobicContact CB-CG2 4.11Å; F163-V210 HydrophobicContact CD1-CG1 4.45Å; F163-V210 HydrophobicContact CD1-CG2 3.94Å; F163-V210 HydrophobicContact CG-CG2 4.14Å |
| 164 | T | 91.5 | Very high | 93 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | trans | -56.2 | -33 | -167.8 | -15.7 | 0 | 0 | 0 | 0 | 115.4 | E160 Q161 R167 | E160-T164 VanDerWaalsContact O-CA 3.29Å; E160-T164 WeakPolarHBondContact O-CA 3.47Å; Q161-T164 PolarHBondContact O-N 2.58Å; Q161-T164 PolarHBondContact O-OG1 2.74Å; T164-R167 VanDerWaalsContact C-NH1 3.32Å; T164-R167 PolarHBondContact O-NH1 3Å | ||
| 165 | H | 89.8 | Confident | 92.5 | Very high | 127 Ų | 127 | 53.8 Ų | 53.8 | 59% | 0.588 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -133.4 | 157.4 | -173 | -56.2 | 104.1 | 0 | 0 | 0 | 112 | F163 R167 | F163-H165 VanDerWaalsContact C-N 3.28Å; F163-H165 PolarHBondContact O-N 3.24Å; F163-H165 VanDerWaalsContact O-N 3.13Å; H165-R167 VanDerWaalsContact C-N 3.27Å; H165-R167 PolarHBondContact O-N 3.26Å |
| 166 | H | 90.7 | Very high | 91.7 | Very high | 110 Ų | 110 | 53 Ų | 53 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | trans | 59.3 | 30 | 175.7 | -39.2 | 95.3 | 0 | 0 | 0 | 114.8 | I168 V210 E211 | H166-I168 PolarHBondContact O-N 2.81Å; H166-V210 WeakPolarHBondContact O-CA 3.39Å; H166-E211 HydrophobicContact CB-CB 4.07Å; H166-E211 PolarHBondContact O-N 2.95Å | ||
| 167 | R | 94.6 | Very high | 90.6 | Very high | 43 Ų | 43 | 56.5 Ų | 56.5 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 126.1 | 167.4 | -62 | -171 | -58.6 | -71.8 | -2.8 | 108.8 | F163 T164 H165 Y169 E189 V210 | F163-R167 HydrophobicContact CB-CG 4.14Å; F163-R167 WeakPolarHBondContact O-CD 3.3Å; F163-R167 WeakPolarHBondContact O-CG 3.4Å; F163-R167 PolarHBondContact O-NH1 3.09Å; T164-R167 VanDerWaalsContact C-NH1 3.32Å; T164-R167 PolarHBondContact O-NH1 3Å; H165-R167 VanDerWaalsContact C-N 3.27Å; H165-R167 PolarHBondContact O-N 3.26Å; R167-Y169 HydrophobicContact CB-CE2 4.11Å; R167-E189 IonicContact CZ-OE1 2.85Å; R167-E189 IonicContact NE-OE1 2.7Å; R167-E189 PolarHBondContact NE-OE1 3.18Å; R167-E189 IonicContact NH2-OE1 3.47Å; R167-E189 PolarHBondContact NH2-OE1 2.7Å; R167-E189 IonicContact NH2-OE2 2.9Å; R167-V210 HydrophobicContact CG-CG2 4.42Å |
| 168 | I | 95.4 | Very high | 89 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 134.5 | -176.8 | -63 | -177.9 | 0 | 0 | 0 | 108.4 | H166 T185 P208 H209 E211 | H166-I168 PolarHBondContact O-N 2.81Å; I168-T185 HydrophobicContact CG2-CG2 3.27Å; I168-P208 CarbonylContact O-C 3.58Å; I168-H209 HydrophobicContact CB-CB 4.48Å; I168-H209 PolarHBondContact N-O 2.7Å; I168-H209 WeakPolarHBondContact O-CA 3.13Å; I168-H209 WeakPolarHBondContact O-CB 3.48Å; I168-H209 PolarHBondContact O-N 2.76Å; I168-H209 VanDerWaalsContact O-O 3.08Å; I168-E211 HydrophobicContact CD1-CB 3.98Å |
| 169 | Y | 96.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.1 | -177.4 | -59.4 | -86.1 | 0 | 0 | 0 | 110.4 | V129 I145 R167 V171 T185 V186 E189 V206 P208 | V129-Y169 HydrophobicContact CG2-CD1 4.34Å; V129-Y169 HydrophobicContact CG2-CE1 4.2Å; I145-Y169 HydrophobicContact CD1-CD1 3.78Å; I145-Y169 HydrophobicContact CD1-CD2 3.94Å; I145-Y169 HydrophobicContact CD1-CE1 4.43Å; I145-Y169 HydrophobicContact CD1-CG 3.49Å; I145-Y169 VanDerWaalsContact CD1-CG 3.49Å; I145-Y169 HydrophobicContact CG2-CD1 4.06Å; I145-Y169 HydrophobicContact CG2-CE1 3.88Å; R167-Y169 HydrophobicContact CB-CE2 4.11Å; Y169-V171 PolarHBondContact O-N 3.48Å; Y169-T185 WeakPolarHBondContact O-CA 3.08Å; Y169-V186 PolarHBondContact N-O 2.85Å; Y169-V186 PolarHBondContact O-N 2.78Å; Y169-E189 HydrophobicContact CE2-CG 4.1Å; Y169-V206 HydrophobicContact CD1-CG1 4.03Å; Y169-V206 HydrophobicContact CG-CG1 4.42Å; Y169-P208 HydrophobicContact CD1-CB 4Å; Y169-P208 HydrophobicContact CE1-CB 3.94Å |
| 170 | R | 96 | Very high | 86.4 | Confident | 128 Ų | 128 | 74.5 Ų | 74.5 | 48% | 0.483 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 100.8 | 173.6 | -78.4 | 178.9 | 162.5 | -168.6 | -3.9 | 109.2 | T183 K184 V206 M207 W219 | R170-T183 HydrophobicContact CB-CG2 4.46Å; R170-K184 CarbonylContact C-O 3.57Å; R170-K184 WeakPolarHBondContact CA-O 3.44Å; R170-V206 WeakPolarHBondContact O-CA 3.31Å; R170-M207 HydrophobicContact CB-CB 4.41Å; R170-M207 HydrophobicContact CB-CE 4.43Å; R170-M207 PolarHBondContact N-O 2.74Å; R170-M207 PolarHBondContact O-N 2.94Å; R170-W219 WeakPolarHBondContact O-CZ3 3.4Å |
| 171 | V | 95.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 118.1 | 176.4 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | Y169 I173 T183 K184 V186 F191 L193 V204 V206 | Y169-V171 PolarHBondContact O-N 3.48Å; V171-I173 HydrophobicContact CG1-CG1 4.47Å; V171-T183 CarbonylContact O-C 3.59Å; V171-T183 WeakPolarHBondContact O-CA 3.47Å; V171-K184 PolarHBondContact N-O 2.93Å; V171-K184 PolarHBondContact O-N 2.75Å; V171-V186 HydrophobicContact CG2-CG1 4.15Å; V171-V186 HydrophobicContact CG2-CG2 3.78Å; V171-F191 HydrophobicContact CG1-CE2 4.15Å; V171-F191 HydrophobicContact CG1-CZ 3.87Å; V171-F191 HydrophobicContact CG2-CD1 4.3Å; V171-F191 HydrophobicContact CG2-CE1 3.91Å; V171-F191 HydrophobicContact CG2-CE2 4.32Å; V171-F191 HydrophobicContact CG2-CZ 3.91Å; V171-L193 HydrophobicContact CB-CD1 4.23Å; V171-L193 HydrophobicContact CG1-CD1 3.97Å; V171-V204 HydrophobicContact CG1-CG1 3.6Å; V171-V206 HydrophobicContact CG1-CG2 4.45Å; V171-V206 HydrophobicContact CG2-CG2 4.26Å |
| 172 | C | 93 | Very high | 85.6 | Confident | 7 Ų | 7 | 72.7 Ų | 72.7 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.1 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | V204 K205 W219 | C172-V204 WeakPolarHBondContact O-CA 3.31Å; C172-K205 HydrophobicContact CB-CG 4.11Å; C172-K205 PolarHBondContact N-O 3.11Å; C172-K205 PolarHBondContact O-N 3.2Å; C172-W219 HydrophobicContact CB-CE3 4.39Å; C172-W219 HydrophobicContact CB-CH2 3.62Å; C172-W219 HydrophobicContact CB-CZ3 3.43Å; C172-W219 VanDerWaalsContact CB-CZ3 3.43Å |
| 173 | I | 90.9 | Very high | 85.5 | Confident | 3 Ų | 3 | 75.4 Ų | 75.4 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 106.7 | 177.4 | -56.8 | 169.3 | 0 | 0 | 0 | 107.9 | I141 V171 I182 L193 M199 F202 C203 V204 | I141-I173 HydrophobicContact CD1-CD1 3.85Å; V171-I173 HydrophobicContact CG1-CG1 4.47Å; I173-I182 HydrophobicContact CB-CB 4.49Å; I173-I182 PolarHBondContact N-O 3.47Å; I173-I182 PolarHBondContact O-N 3.2Å; I173-L193 HydrophobicContact CD1-CD1 4.21Å; I173-M199 HydrophobicContact CG2-SD 4.16Å; I173-F202 HydrophobicContact CG2-CB 4.18Å; I173-F202 HydrophobicContact CG2-CD2 4.1Å; I173-F202 HydrophobicContact CG2-CG 4.32Å; I173-C203 CarbonylContact C-O 3.56Å; I173-C203 WeakPolarHBondContact CA-O 3.04Å; I173-V204 HydrophobicContact CG1-CG2 4.47Å |
| 174 | R | 88.2 | Confident | 85.4 | Confident | 92 Ų | 92 | 80.5 Ų | 80.5 | 35% | 0.347 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 116.8 | 173.3 | -177.5 | 162.9 | 76.1 | 100 | -6 | 109.9 | N181 F202 C203 E222 | R174-N181 WeakPolarHBondContact CA-OD1 3.41Å; R174-N181 WeakPolarHBondContact CG-OD1 3.43Å; R174-F202 WeakPolarHBondContact O-CA 3.23Å; R174-C203 PolarHBondContact N-O 3.17Å; R174-C203 PolarHBondContact O-N 3.14Å; R174-E222 IonicContact CZ-OE1 2.7Å; R174-E222 IonicContact CZ-OE2 2.81Å; R174-E222 IonicContact NE-OE1 3.95Å; R174-E222 PolarHBondContact NE-OE1 3.1Å; R174-E222 IonicContact NE-OE2 2.74Å; R174-E222 PolarHBondContact NE-OE2 3.06Å; R174-E222 IonicContact NH2-OE1 3.26Å; R174-E222 IonicContact NH2-OE2 3.16Å; R174-E222 PolarHBondContact NH2-OE2 3.24Å |
| 175 | K | 81.4 | Confident | 85.6 | Confident | 30 Ų | 30 | 81.2 Ų | 81.2 | 13% | 0.13 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 138.4 | 171.6 | -59.8 | -174.6 | 176.9 | -172.9 | 0 | 109.2 | S177 E178 M199 | K175-S177 VanDerWaalsContact C-N 3.35Å; K175-E178 HydrophobicContact CB-CB 4.14Å; K175-E178 HydrophobicContact CD-CB 3.78Å; K175-E178 HydrophobicContact CD-CG 4.02Å; K175-E178 VanDerWaalsContact CD-OE1 3.31Å; K175-E178 WeakPolarHBondContact CD-OE1 3.28Å; K175-E178 WeakPolarHBondContact CD-OE2 3.11Å; K175-E178 IonicContact NZ-OE1 2.67Å; K175-E178 PolarHBondContact NZ-OE1 3.2Å; K175-E178 IonicContact NZ-OE2 3.67Å; K175-E178 PolarHBondContact NZ-OE2 3.06Å; K175-M199 HydrophobicContact CD-CE 3.89Å; K175-M199 VanDerWaalsContact CE-CE 3.5Å; K175-M199 HydrophobicContact CG-CE 3.69Å; K175-M199 HydrophobicContact CG-SD 3.94Å |
| 176 | F | 73 | Confident | 85.9 | Confident | 144 Ų | 144 | 76 Ų | 76 | 63% | 0.632 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -79.2 | -18.8 | 174.3 | -159.9 | -92.1 | 0 | 0 | 0 | 113.2 | K201 | F176-K201 HydrophobicContact CB-CB 4.39Å; F176-K201 HydrophobicContact CD2-CD 4.35Å; F176-K201 HydrophobicContact CG-CD 4.45Å |
| 177 | S | 66.4 | Low | 86 | Confident | 116 Ų | 116 | 78.2 Ų | 78.2 | 81% | 0.811 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -111.4 | 0.5 | -171.7 | -170.5 | 0 | 0 | 0 | 0 | 115 | K175 | K175-S177 VanDerWaalsContact C-N 3.35Š|
| 178 | E | 61.7 | Low | 85.9 | Confident | 103 Ų | 103 | 82.7 Ų | 82.7 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -140.6 | 140.3 | -178.4 | -69.6 | 174.1 | -127.1 | 0 | 0 | 109.5 | K175 K180 | K175-E178 HydrophobicContact CB-CB 4.14Å; K175-E178 HydrophobicContact CD-CB 3.78Å; K175-E178 HydrophobicContact CD-CG 4.02Å; K175-E178 VanDerWaalsContact CD-OE1 3.31Å; K175-E178 WeakPolarHBondContact CD-OE1 3.28Å; K175-E178 WeakPolarHBondContact CD-OE2 3.11Å; K175-E178 IonicContact NZ-OE1 2.67Å; K175-E178 PolarHBondContact NZ-OE1 3.2Å; K175-E178 IonicContact NZ-OE2 3.67Å; K175-E178 PolarHBondContact NZ-OE2 3.06Å; E178-K180 PolarHBondContact O-N 2.96Å |
| 179 | Q | 60.1 | Low | 85.8 | Confident | 210 Ų | 210 | 83.4 Ų | 83.4 | 98% | 0.981 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -71.8 | -8.4 | -178.9 | -87.2 | 171.2 | -40.6 | 0 | 0 | 115 | ||
| 180 | K | 73.8 | Confident | 85.8 | Confident | 167 Ų | 167 | 87.9 Ų | 87.9 | 73% | 0.726 | 43% | 0.428 | S | S | * | . | trans | -105.8 | 109.8 | -177.7 | -166.4 | 167.9 | -175.2 | 173.6 | 0 | 111.7 | E178 | E178-K180 PolarHBondContact O-N 2.96Š| ||
| 181 | N | 83.9 | Confident | 85.7 | Confident | 74 Ų | 74 | 82.4 Ų | 82.4 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | trans | -64.2 | 147.3 | 169.7 | -61.3 | -25.2 | 0 | 0 | 0 | 110.6 | R174 | R174-N181 WeakPolarHBondContact CA-OD1 3.41Å; R174-N181 WeakPolarHBondContact CG-OD1 3.43Å | ||
| 182 | I | 87.6 | Confident | 85.6 | Confident | 45 Ų | 45 | 86.1 Ų | 86.1 | 23% | 0.231 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.9 | 172.3 | -67.2 | 172.5 | 0 | 0 | 0 | 108 | I173 K184 P196 | I173-I182 HydrophobicContact CB-CB 4.49Å; I173-I182 PolarHBondContact N-O 3.47Å; I173-I182 PolarHBondContact O-N 3.2Å; I182-K184 HydrophobicContact CG2-CG 4.23Å; I182-P196 HydrophobicContact CD1-CB 3.99Å; I182-P196 HydrophobicContact CD1-CG 3.74Å |
| 183 | T | 91.8 | Very high | 85.5 | Confident | 80 Ų | 80 | 87 Ų | 87 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 136.5 | 168.9 | -49.9 | 0 | 0 | 0 | 0 | 109.7 | R170 V171 | R170-T183 HydrophobicContact CB-CG2 4.46Å; V171-T183 CarbonylContact O-C 3.59Å; V171-T183 WeakPolarHBondContact O-CA 3.47Å |
| 184 | K | 92.8 | Very high | 85.3 | Confident | 111 Ų | 111 | 93.6 Ų | 93.6 | 48% | 0.483 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 155.4 | 170.6 | -70.8 | -66.7 | -172.6 | 171.3 | 0 | 109.4 | R170 V171 I182 L193 | R170-K184 CarbonylContact C-O 3.57Å; R170-K184 WeakPolarHBondContact CA-O 3.44Å; V171-K184 PolarHBondContact N-O 2.93Å; V171-K184 PolarHBondContact O-N 2.75Å; I182-K184 HydrophobicContact CG2-CG 4.23Å; K184-L193 HydrophobicContact CB-CD1 4.1Å; K184-L193 HydrophobicContact CB-CD2 4.11Å; K184-L193 HydrophobicContact CG-CD1 4.36Å; K184-L193 HydrophobicContact CG-CD2 4.15Å |
| 185 | T | 94.9 | Very high | 84.8 | Confident | 89 Ų | 89 | 90.2 Ų | 90.2 | 55% | 0.546 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136 | 175.3 | -52.9 | 0 | 0 | 0 | 0 | 107.7 | I168 Y169 | I168-T185 HydrophobicContact CG2-CG2 3.27Å; Y169-T185 WeakPolarHBondContact O-CA 3.08Å |
| 186 | V | 94.9 | Very high | 84.5 | Confident | 18 Ų | 18 | 90.2 Ų | 90.2 | 11% | 0.109 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 143.5 | 173.9 | -53.6 | 0 | 0 | 0 | 0 | 109.4 | I145 Y169 V171 F191 L193 | I145-V186 HydrophobicContact CD1-CG2 4.36Å; Y169-V186 PolarHBondContact N-O 2.85Å; Y169-V186 PolarHBondContact O-N 2.78Å; V171-V186 HydrophobicContact CG2-CG1 4.15Å; V171-V186 HydrophobicContact CG2-CG2 3.78Å; V186-F191 HydrophobicContact CB-CB 3.97Å; V186-F191 HydrophobicContact CG1-CB 3.84Å; V186-F191 HydrophobicContact CG1-CG 4.2Å; V186-F191 HydrophobicContact CG2-CB 3.95Å; V186-F191 HydrophobicContact CG2-CD1 3.95Å; V186-F191 HydrophobicContact CG2-CG 4.11Å; V186-L193 HydrophobicContact CG1-CD2 4.26Å |
| 187 | E | 93.4 | Very high | 84.3 | Confident | 156 Ų | 156 | 92.5 Ų | 92.5 | 73% | 0.729 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -100.8 | -1.5 | -174 | -68.3 | 160.8 | -150.3 | 0 | 0 | 112.9 | ||
| 188 | Q | 92.1 | Very high | 84.2 | Confident | 136 Ų | 136 | 99.1 Ų | 99.1 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -128.4 | 147.3 | -176.7 | -67.2 | -178.6 | -8.6 | 0 | 0 | 110.2 | N190 | Q188-N190 VanDerWaalsContact C-N 3.27Å; Q188-N190 WeakPolarHBondContact CB-O 3.43Å; Q188-N190 PolarHBondContact O-N 3.07Å |
| 189 | E | 94.1 | Very high | 84.7 | Confident | 39 Ų | 39 | 95.2 Ų | 95.2 | 18% | 0.182 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -65.9 | -32.9 | 178.4 | -61.2 | 77.7 | -173.1 | 0 | 0 | 111.1 | T144 I145 P147 R167 Y169 | T144-E189 CarbonylContact C-O 3.58Å; T144-E189 WeakPolarHBondContact CA-O 3.44Å; I145-E189 HydrophobicContact CB-CB 4.38Å; I145-E189 WeakPolarHBondContact CB-O 3.43Å; I145-E189 WeakPolarHBondContact CG1-O 3.35Å; I145-E189 PolarHBondContact N-O 2.75Å; P147-E189 HydrophobicContact CG-CG 4.32Å; R167-E189 IonicContact CZ-OE1 2.85Å; R167-E189 IonicContact NE-OE1 2.7Å; R167-E189 PolarHBondContact NE-OE1 3.18Å; R167-E189 IonicContact NH2-OE1 3.47Å; R167-E189 PolarHBondContact NH2-OE1 2.7Å; R167-E189 IonicContact NH2-OE2 2.9Å; Y169-E189 HydrophobicContact CE2-CG 4.1Å |
| 190 | N | 95.8 | Very high | 85.5 | Confident | 97 Ų | 97 | 94.3 Ų | 94.3 | 52% | 0.519 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.9 | 166.1 | -70.7 | -64.5 | 0 | 0 | 0 | 109.7 | G143 T144 Q188 | G143-N190 CarbonylContact O-C 3.54Å; G143-N190 WeakPolarHBondContact O-CA 3.41Å; T144-N190 WeakPolarHBondContact CB-OD1 2.97Å; T144-N190 WeakPolarHBondContact CG2-OD1 3.01Å; T144-N190 PolarHBondContact OG1-OD1 3.42Å; Q188-N190 VanDerWaalsContact C-N 3.27Å; Q188-N190 WeakPolarHBondContact CB-O 3.43Å; Q188-N190 PolarHBondContact O-N 3.07Å |
| 191 | F | 94.4 | Very high | 86 | Confident | 13 Ų | 13 | 89.7 Ų | 89.7 | 6% | 0.057 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 154.3 | -178.4 | 67.6 | -101.5 | 0 | 0 | 0 | 113 | I141 G143 I145 V171 V186 L193 | I141-F191 HydrophobicContact CG2-CE2 4.47Å; G143-F191 PolarHBondContact N-O 3.22Å; G143-F191 PolarHBondContact O-N 2.83Å; I145-F191 HydrophobicContact CD1-CD1 3.83Å; I145-F191 HydrophobicContact CD1-CE1 3.84Å; I145-F191 HydrophobicContact CG1-CD1 4.03Å; I145-F191 HydrophobicContact CG1-CE1 3.74Å; V171-F191 HydrophobicContact CG1-CE2 4.15Å; V171-F191 HydrophobicContact CG1-CZ 3.87Å; V171-F191 HydrophobicContact CG2-CD1 4.3Å; V171-F191 HydrophobicContact CG2-CE1 3.91Å; V171-F191 HydrophobicContact CG2-CE2 4.32Å; V171-F191 HydrophobicContact CG2-CZ 3.91Å; V186-F191 HydrophobicContact CB-CB 3.97Å; V186-F191 HydrophobicContact CG1-CB 3.84Å; V186-F191 HydrophobicContact CG1-CG 4.2Å; V186-F191 HydrophobicContact CG2-CB 3.95Å; V186-F191 HydrophobicContact CG2-CD1 3.95Å; V186-F191 HydrophobicContact CG2-CG 4.11Å; F191-L193 HydrophobicContact CD2-CD1 3.96Å; F191-L193 HydrophobicContact CD2-CG 3.91Å; F191-L193 HydrophobicContact CE2-CD1 3.86Å; F191-L193 HydrophobicContact CE2-CG 4.25Å |
| 192 | T | 93.8 | Very high | 86.2 | Confident | 79 Ų | 79 | 86.2 Ų | 86.2 | 49% | 0.485 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130 | 169.9 | -57 | 0 | 0 | 0 | 0 | 109.5 | F140 I141 Y142 | F140-T192 HydrophobicContact CB-CG2 4.02Å; F140-T192 HydrophobicContact CD1-CG2 3.89Å; F140-T192 HydrophobicContact CG-CG2 4.25Å; I141-T192 CarbonylContact O-C 3.43Å; I141-T192 WeakPolarHBondContact O-CA 3.46Å; Y142-T192 HydrophobicContact CD1-CG2 4.06Å; Y142-T192 WeakPolarHBondContact CD1-OG1 3.14Å; Y142-T192 HydrophobicContact CE1-CG2 3.78Å |
| 193 | L | 91 | Very high | 86.4 | Confident | 25 Ų | 25 | 84.1 Ų | 84.1 | 13% | 0.131 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.1 | 176.3 | -64.9 | 173.1 | 0 | 0 | 0 | 110 | I141 V171 I173 K184 V186 F191 V195 | I141-L193 HydrophobicContact CB-CB 4.35Å; I141-L193 WeakPolarHBondContact CB-O 3.23Å; I141-L193 PolarHBondContact N-O 2.87Å; I141-L193 PolarHBondContact O-N 2.76Å; V171-L193 HydrophobicContact CB-CD1 4.23Å; V171-L193 HydrophobicContact CG1-CD1 3.97Å; I173-L193 HydrophobicContact CD1-CD1 4.21Å; K184-L193 HydrophobicContact CB-CD1 4.1Å; K184-L193 HydrophobicContact CB-CD2 4.11Å; K184-L193 HydrophobicContact CG-CD1 4.36Å; K184-L193 HydrophobicContact CG-CD2 4.15Å; V186-L193 HydrophobicContact CG1-CD2 4.26Å; F191-L193 HydrophobicContact CD2-CD1 3.96Å; F191-L193 HydrophobicContact CD2-CG 3.91Å; F191-L193 HydrophobicContact CE2-CD1 3.86Å; F191-L193 HydrophobicContact CE2-CG 4.25Å; L193-V195 PolarHBondContact O-N 2.02Å |
| 194 | E | 86.7 | Confident | 86.4 | Confident | 141 Ų | 141 | 80.4 Ų | 80.4 | 66% | 0.659 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 134.6 | 171.2 | -68.6 | -178.9 | -173.1 | 0 | 0 | 111 | F140 P196 | F140-E194 HydrophobicContact CD1-CG 4.21Å; F140-E194 HydrophobicContact CE1-CG 3.76Å; E194-P196 WeakPolarHBondContact O-CD 3.43Å |
| 195 | V | 78 | Confident | 86.5 | Confident | 21 Ų | 21 | 77.7 Ų | 77.7 | 13% | 0.127 | 36% | 0.36 | C | S | . | . | trans | -67.1 | 115.9 | 167 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | V136 G139 I141 L193 K197 M199 F202 | V136-V195 HydrophobicContact CG1-CG2 3.88Å; G139-V195 VanDerWaalsContact O-CB 3.27Å; G139-V195 WeakPolarHBondContact O-CB 3.45Å; G139-V195 VanDerWaalsContact O-CG2 3.31Å; G139-V195 WeakPolarHBondContact O-CG2 3.21Å; G139-V195 PolarHBondContact O-N 3.09Å; I141-V195 HydrophobicContact CD1-CG2 4.23Å; I141-V195 HydrophobicContact CG1-CB 4.38Å; I141-V195 HydrophobicContact CG1-CG2 3.48Å; I141-V195 VanDerWaalsContact CG1-CG2 3.48Å; L193-V195 PolarHBondContact O-N 2.02Å; V195-K197 PolarHBondContact O-N 2.81Å; V195-M199 HydrophobicContact CG1-CB 4.09Å; V195-F202 HydrophobicContact CG1-CE1 4.38Å | ||
| 196 | P | 73.5 | Confident | 86.6 | Confident | 30 Ų | 30 | 73.5 Ų | 73.5 | 20% | 0.195 | 33% | 0.334 | C | S | . | . | trans | -65.8 | 134.1 | -177.2 | -16.5 | 29.7 | 0 | 0 | 0 | 110.3 | I182 E194 M199 | I182-P196 HydrophobicContact CD1-CB 3.99Å; I182-P196 HydrophobicContact CD1-CG 3.74Å; E194-P196 WeakPolarHBondContact O-CD 3.43Å; P196-M199 HydrophobicContact CB-CE 3.47Å; P196-M199 VanDerWaalsContact CB-CE 3.47Å; P196-M199 HydrophobicContact CG-CE 3.57Å; P196-M199 PolarHBondContact O-N 2.89Å | ||
| 197 | K | 68.6 | Low | 86.7 | Confident | 193 Ų | 193 | 74.2 Ų | 74.2 | 84% | 0.839 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 139.1 | -164 | -62.4 | 175.8 | -177.2 | 175.4 | 0 | 112.4 | V195 | V195-K197 PolarHBondContact O-N 2.81Š|
| 198 | R | 66.2 | Low | 86.9 | Confident | 254 Ų | 254 | 66.8 Ų | 66.8 | 96% | 0.958 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 5.8 | -177.4 | -51.2 | 177.7 | 175.8 | 174.2 | -1.8 | 117.4 | R200 | R198-R200 PolarHBondContact O-N 2.82Š|
| 199 | M | 72.3 | Confident | 87 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | trans | -73.2 | 116.2 | 177.2 | -129.3 | 162.8 | -68.7 | 0 | 0 | 113 | I173 K175 V195 P196 F202 | I173-M199 HydrophobicContact CG2-SD 4.16Å; K175-M199 HydrophobicContact CD-CE 3.89Å; K175-M199 VanDerWaalsContact CE-CE 3.5Å; K175-M199 HydrophobicContact CG-CE 3.69Å; K175-M199 HydrophobicContact CG-SD 3.94Å; V195-M199 HydrophobicContact CG1-CB 4.09Å; P196-M199 HydrophobicContact CB-CE 3.47Å; P196-M199 VanDerWaalsContact CB-CE 3.47Å; P196-M199 HydrophobicContact CG-CE 3.57Å; P196-M199 PolarHBondContact O-N 2.89Å; M199-F202 HydrophobicContact CB-CD1 4.3Å; M199-F202 HydrophobicContact CG-CB 3.94Å; M199-F202 HydrophobicContact CG-CD1 4.08Å; M199-F202 HydrophobicContact CG-CG 4.47Å; M199-F202 HydrophobicContact SD-CB 3.43Å; M199-F202 WeakPolarHBondContact SD-CB 3.49Å; M199-F202 HydrophobicContact SD-CD1 3.9Å; M199-F202 HydrophobicContact SD-CG 3.91Å | ||
| 200 | R | 75.9 | Confident | 87 | Confident | 192 Ų | 192 | 61.8 Ų | 61.8 | 73% | 0.725 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -94.3 | -34.2 | 170.2 | -70.2 | -172.8 | 177.4 | -169.6 | -0.7 | 113.7 | R198 H226 V227 | R198-R200 PolarHBondContact O-N 2.82Å; R200-H226 CarbonylContact O-C 3.44Å; R200-H226 WeakPolarHBondContact O-CA 3.4Å; R200-V227 PolarHBondContact O-N 2.83Å |
| 201 | K | 85.3 | Confident | 86.9 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 30% | 0.304 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 132.8 | 174.4 | -174.5 | 178.8 | -174.4 | 151.1 | 0 | 109.1 | F176 L225 H226 | F176-K201 HydrophobicContact CB-CB 4.39Å; F176-K201 HydrophobicContact CD2-CD 4.35Å; F176-K201 HydrophobicContact CG-CD 4.45Å; K201-L225 WeakPolarHBondContact CA-O 3.2Å; K201-H226 WeakPolarHBondContact CD-NE2 3.38Å; K201-H226 VanDerWaalsContact CE-NE2 3.3Å; K201-H226 WeakPolarHBondContact CE-NE2 3.14Å; K201-H226 PolarHBondContact NZ-NE2 2.94Å |
| 202 | F | 87.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 166.4 | 173.1 | 64.8 | -98.6 | 0 | 0 | 0 | 110.2 | V136 I141 I173 R174 V195 M199 V204 C224 L225 V227 | V136-F202 HydrophobicContact CG2-CE1 4.1Å; V136-F202 HydrophobicContact CG2-CZ 3.66Å; I141-F202 HydrophobicContact CD1-CE1 4.33Å; I141-F202 HydrophobicContact CD1-CE2 3.85Å; I141-F202 HydrophobicContact CD1-CZ 3.68Å; I141-F202 HydrophobicContact CG1-CE2 4.42Å; I141-F202 HydrophobicContact CG1-CZ 3.88Å; I173-F202 HydrophobicContact CG2-CB 4.18Å; I173-F202 HydrophobicContact CG2-CD2 4.1Å; I173-F202 HydrophobicContact CG2-CG 4.32Å; R174-F202 WeakPolarHBondContact O-CA 3.23Å; V195-F202 HydrophobicContact CG1-CE1 4.38Å; M199-F202 HydrophobicContact CB-CD1 4.3Å; M199-F202 HydrophobicContact CG-CB 3.94Å; M199-F202 HydrophobicContact CG-CD1 4.08Å; M199-F202 HydrophobicContact CG-CG 4.47Å; M199-F202 HydrophobicContact SD-CB 3.43Å; M199-F202 WeakPolarHBondContact SD-CB 3.49Å; M199-F202 HydrophobicContact SD-CD1 3.9Å; M199-F202 HydrophobicContact SD-CG 3.91Å; F202-V204 HydrophobicContact CD2-CG2 3.72Å; F202-V204 HydrophobicContact CE2-CG2 3.54Å; F202-C224 WeakPolarHBondContact O-CA 3.5Å; F202-L225 HydrophobicContact CE2-CB 4.25Å; F202-L225 HydrophobicContact CE2-CD1 4.06Å; F202-L225 HydrophobicContact CZ-CB 4.26Å; F202-L225 HydrophobicContact CZ-CD1 4.17Å; F202-L225 PolarHBondContact N-O 2.95Å; F202-L225 VanDerWaalsContact N-O 3.1Å; F202-L225 PolarHBondContact O-N 3.22Å; F202-L225 VanDerWaalsContact O-O 3.09Å; F202-V227 HydrophobicContact CD1-CG2 4.03Å; F202-V227 HydrophobicContact CE1-CG2 3.54Å |
| 203 | C | 90.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.9 | 171.6 | -44.5 | 0 | 0 | 0 | 0 | 110.4 | I173 R174 E222 Q223 C224 | I173-C203 CarbonylContact C-O 3.56Å; I173-C203 WeakPolarHBondContact CA-O 3.04Å; R174-C203 PolarHBondContact N-O 3.17Å; R174-C203 PolarHBondContact O-N 3.14Å; C203-E222 VanDerWaalsContact CB-CD 3.44Å; C203-E222 HydrophobicContact CB-CG 3.38Å; C203-Q223 CarbonylContact C-O 3.58Å; C203-Q223 WeakPolarHBondContact CA-O 3.44Å; C203-C224 HydrophobicContact CB-CB 3.94Å; C203-C224 WeakPolarHBondContact CB-SG 3.46Å; C203-C224 VanDerWaalsContact SG-CA 3.57Å; C203-C224 WeakPolarHBondContact SG-CB 3.39Å; C203-C224 CovalentContact SG-SG 2.04Å; C203-C224 PolarHBondContact SG-SG 3.26Å |
| 204 | V | 92.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.9 | -177.5 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | V134 V171 C172 I173 F202 E222 Q223 | V134-V204 HydrophobicContact CG1-CG2 4.39Å; V134-V204 HydrophobicContact CG2-CB 4.26Å; V134-V204 HydrophobicContact CG2-CG1 4.31Å; V134-V204 HydrophobicContact CG2-CG2 4.48Å; V171-V204 HydrophobicContact CG1-CG1 3.6Å; C172-V204 WeakPolarHBondContact O-CA 3.31Å; I173-V204 HydrophobicContact CG1-CG2 4.47Å; F202-V204 HydrophobicContact CD2-CG2 3.72Å; F202-V204 HydrophobicContact CE2-CG2 3.54Å; V204-E222 WeakPolarHBondContact O-CA 3.29Å; V204-Q223 PolarHBondContact N-O 2.84Å; V204-Q223 PolarHBondContact O-N 2.84Å |
| 205 | K | 94.9 | Very high | 87.1 | Confident | 55 Ų | 55 | 66.4 Ų | 66.4 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.3 | 165.1 | 60.3 | 172.6 | -164.6 | 158.8 | 0 | 110.1 | C172 W219 E222 | C172-K205 HydrophobicContact CB-CG 4.11Å; C172-K205 PolarHBondContact N-O 3.11Å; C172-K205 PolarHBondContact O-N 3.2Å; K205-W219 HydrophobicContact CB-CE3 4.19Å; K205-W219 HydrophobicContact CD-CB 4.14Å; K205-W219 HydrophobicContact CD-CD2 3.92Å; K205-W219 HydrophobicContact CD-CE3 3.7Å; K205-W219 HydrophobicContact CD-CG 4.12Å; K205-W219 HydrophobicContact CD-CZ3 4.48Å; K205-W219 HydrophobicContact CG-CD2 4.32Å; K205-W219 HydrophobicContact CG-CE3 3.59Å; K205-W219 HydrophobicContact CG-CZ3 4.07Å; K205-E222 HydrophobicContact CB-CB 4.33Å |
| 206 | V | 96.9 | Very high | 88 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.6 | -174.1 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | V129 V132 I145 Y169 R170 V171 S220 | V129-V206 HydrophobicContact CG2-CG1 4.4Å; V132-V206 HydrophobicContact CG1-CG2 4.06Å; V132-V206 HydrophobicContact CG2-CB 4.02Å; V132-V206 HydrophobicContact CG2-CG2 3.78Å; I145-V206 HydrophobicContact CD1-CG1 3.92Å; I145-V206 HydrophobicContact CG1-CG1 4.35Å; I145-V206 HydrophobicContact CG1-CG2 4.42Å; Y169-V206 HydrophobicContact CD1-CG1 4.03Å; Y169-V206 HydrophobicContact CG-CG1 4.42Å; R170-V206 WeakPolarHBondContact O-CA 3.31Å; V171-V206 HydrophobicContact CG1-CG2 4.45Å; V171-V206 HydrophobicContact CG2-CG2 4.26Å; V206-S220 PolarHBondContact N-OG 3.41Å; V206-S220 PolarHBondContact O-N 2.84Å |
| 207 | M | 96.8 | Very high | 89.1 | Confident | 33 Ų | 33 | 71.5 Ų | 71.5 | 16% | 0.163 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.1 | 169.2 | -176.6 | 177.3 | 71.9 | 0 | 0 | 108.5 | R170 A217 W219 | R170-M207 HydrophobicContact CB-CB 4.41Å; R170-M207 HydrophobicContact CB-CE 4.43Å; R170-M207 PolarHBondContact N-O 2.74Å; R170-M207 PolarHBondContact O-N 2.94Å; M207-A217 HydrophobicContact CG-CB 3.78Å; M207-A217 HydrophobicContact SD-CB 4.36Å; M207-W219 HydrophobicContact CB-CD2 3.78Å; M207-W219 HydrophobicContact CB-CE3 3.64Å; M207-W219 HydrophobicContact CB-CG 4.42Å; M207-W219 HydrophobicContact CB-CH2 4Å; M207-W219 HydrophobicContact CB-CZ2 4.12Å; M207-W219 HydrophobicContact CB-CZ3 3.76Å; M207-W219 HydrophobicContact CE-CZ2 4.2Å; M207-W219 HydrophobicContact SD-CD2 4.44Å; M207-W219 HydrophobicContact SD-CZ2 4.07Å |
| 208 | P | 97.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 158 | 176.9 | 33.2 | -35.7 | 0 | 0 | 0 | 111.1 | L127 V129 I168 Y169 A217 E218 | L127-P208 HydrophobicContact CB-CB 4.22Å; L127-P208 HydrophobicContact CB-CG 3.7Å; V129-P208 HydrophobicContact CG2-CB 4.11Å; V129-P208 HydrophobicContact CG2-CG 4.09Å; I168-P208 CarbonylContact O-C 3.58Å; Y169-P208 HydrophobicContact CD1-CB 4Å; Y169-P208 HydrophobicContact CE1-CB 3.94Å; P208-A217 HydrophobicContact CG-CB 4.42Å; P208-A217 WeakPolarHBondContact O-CB 3.42Å; P208-E218 WeakPolarHBondContact CD-O 3.37Å |
| 209 | H | 95.1 | Very high | 91.9 | Very high | 67 Ų | 67 | 58.3 Ų | 58.3 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 154.8 | 174.9 | -176.3 | 51.4 | 0 | 0 | 0 | 108.7 | I168 | I168-H209 HydrophobicContact CB-CB 4.48Å; I168-H209 PolarHBondContact N-O 2.7Å; I168-H209 WeakPolarHBondContact O-CA 3.13Å; I168-H209 WeakPolarHBondContact O-CB 3.48Å; I168-H209 PolarHBondContact O-N 2.76Å; I168-H209 VanDerWaalsContact O-O 3.08Å |
| 210 | V | 94.8 | Very high | 93 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 109.1 | 172.2 | 174.8 | 0 | 0 | 0 | 0 | 106.2 | L127 F163 H166 R167 S212 R213 | L127-V210 HydrophobicContact CD1-CB 4.24Å; L127-V210 HydrophobicContact CD1-CG2 3.88Å; F163-V210 HydrophobicContact CB-CG2 4.11Å; F163-V210 HydrophobicContact CD1-CG1 4.45Å; F163-V210 HydrophobicContact CD1-CG2 3.94Å; F163-V210 HydrophobicContact CG-CG2 4.14Å; H166-V210 WeakPolarHBondContact O-CA 3.39Å; R167-V210 HydrophobicContact CG-CG2 4.42Å; V210-S212 PolarHBondContact O-N 2.81Å; V210-R213 HydrophobicContact CB-CB 4.49Å; V210-R213 HydrophobicContact CG1-CB 4.39Å; V210-R213 HydrophobicContact CG1-CG 4.13Å; V210-R213 PolarHBondContact O-N 2.84Å; V210-R213 VanDerWaalsContact O-O 3.06Å |
| 211 | E | 92.3 | Very high | 93.9 | Very high | 131 Ų | 131 | 57.2 Ų | 57.2 | 61% | 0.612 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -29.3 | -166.6 | -168.1 | 173.1 | -117.2 | 0 | 0 | 113 | H166 I168 R213 | H166-E211 HydrophobicContact CB-CB 4.07Å; H166-E211 PolarHBondContact O-N 2.95Å; I168-E211 HydrophobicContact CD1-CB 3.98Å; E211-R213 PolarHBondContact O-N 2.97Å |
| 212 | S | 90.6 | Very high | 94.3 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 57% | 0.566 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 3.3 | 175.5 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | V210 | V210-S212 PolarHBondContact O-N 2.81Š|
| 213 | R | 91.9 | Very high | 94.5 | Very high | 75 Ų | 75 | 60.4 Ų | 60.4 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -138.4 | 155.8 | -177.6 | -62 | -171.7 | 177.7 | -90.9 | 5.4 | 113.6 | D123 V210 E211 N215 | D123-R213 IonicContact OD1-CZ 3.88Å; D123-R213 IonicContact OD1-NH1 3.35Å; D123-R213 PolarHBondContact OD1-NH1 2.83Å; V210-R213 HydrophobicContact CB-CB 4.49Å; V210-R213 HydrophobicContact CG1-CB 4.39Å; V210-R213 HydrophobicContact CG1-CG 4.13Å; V210-R213 PolarHBondContact O-N 2.84Å; V210-R213 VanDerWaalsContact O-O 3.06Å; E211-R213 PolarHBondContact O-N 2.97Å; R213-N215 VanDerWaalsContact C-N 3.34Å; R213-N215 WeakPolarHBondContact CB-OD1 3.43Å; R213-N215 WeakPolarHBondContact CD-OD1 3.47Å |
| 214 | I | 93.3 | Very high | 94.5 | Very high | 154 Ų | 154 | 63.2 Ų | 63.2 | 79% | 0.79 | 31% | 0.311 | S | S | * | . | trans | -94.3 | 19.8 | 178.8 | 62.5 | 171.5 | 0 | 0 | 0 | 113.6 | D123 | D123-I214 HydrophobicContact CB-CG1 4.27Š| ||
| 215 | N | 95.4 | Very high | 94.1 | Very high | 11 Ų | 11 | 65 Ų | 65 | 6% | 0.059 | 32% | 0.321 | C | S | . | . | trans | -57 | 139.8 | -177.9 | -72.5 | 93.8 | 0 | 0 | 0 | 112.4 | V122 D123 V125 L127 R213 | V122-N215 PolarHBondContact O-ND2 2.79Å; D123-N215 PolarHBondContact O-ND2 3.36Å; V125-N215 PolarHBondContact O-ND2 2.82Å; L127-N215 HydrophobicContact CD1-CB 3.72Å; L127-N215 HydrophobicContact CD2-CB 4.41Å; L127-N215 HydrophobicContact CG-CB 3.69Å; R213-N215 VanDerWaalsContact C-N 3.34Å; R213-N215 WeakPolarHBondContact CB-OD1 3.43Å; R213-N215 WeakPolarHBondContact CD-OD1 3.47Å | ||
| 216 | K | 95.9 | Very high | 93.5 | Very high | 125 Ų | 125 | 68.5 Ų | 68.5 | 54% | 0.543 | 34% | 0.338 | S | S | . | . | trans | -66.9 | 153.9 | 163 | -63.9 | 159.8 | -170.1 | 146.4 | 0 | 108.9 | E124 I126 L127 | E124-K216 IonicContact OE2-NZ 3.73Å; E124-K216 PolarHBondContact OE2-NZ 2.84Å; I126-K216 WeakPolarHBondContact CA-O 3.14Å; I126-K216 HydrophobicContact CG1-CB 4.33Å; L127-K216 PolarHBondContact N-O 3.5Å | ||
| 217 | A | 96.6 | Very high | 92.5 | Very high | 34 Ų | 34 | 70 Ų | 70 | 28% | 0.281 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -140.6 | 148.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L127 M207 P208 | L127-A217 HydrophobicContact CB-CB 4.17Å; L127-A217 WeakPolarHBondContact O-CA 3.4Å; M207-A217 HydrophobicContact CG-CB 3.78Å; M207-A217 HydrophobicContact SD-CB 4.36Å; P208-A217 HydrophobicContact CG-CB 4.42Å; P208-A217 WeakPolarHBondContact O-CB 3.42Å |
| 218 | E | 96.8 | Very high | 91.1 | Very high | 70 Ų | 70 | 73.3 Ų | 73.3 | 33% | 0.327 | 37% | 0.369 | S | S | . | . | trans | -106.8 | 157 | 174 | -74.3 | 167.1 | 161.3 | 0 | 0 | 110.8 | R37 I126 L127 T128 P208 | R37-E218 IonicContact CZ-OE1 3.65Å; R37-E218 IonicContact CZ-OE2 2.71Å; R37-E218 IonicContact NE-OE1 3.51Å; R37-E218 IonicContact NE-OE2 3.12Å; R37-E218 PolarHBondContact NE-OE2 2.91Å; R37-E218 IonicContact NH2-OE1 2.73Å; R37-E218 PolarHBondContact NH2-OE1 3.42Å; R37-E218 IonicContact NH2-OE2 2.75Å; R37-E218 PolarHBondContact NH2-OE2 2.87Å; I126-E218 HydrophobicContact CG2-CB 4.31Å; I126-E218 HydrophobicContact CG2-CG 3.66Å; L127-E218 PolarHBondContact O-N 3.11Å; T128-E218 HydrophobicContact CG2-CB 4.26Å; T128-E218 WeakPolarHBondContact CG2-OE2 3.08Å; P208-E218 WeakPolarHBondContact CD-O 3.37Å | ||
| 219 | W | 96.7 | Very high | 89.3 | Confident | 100 Ų | 100 | 77.3 Ų | 77.3 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -80 | 139.4 | 170.1 | -70.7 | 91.7 | 0 | 0 | 0 | 109.8 | R170 C172 K205 M207 | R170-W219 WeakPolarHBondContact O-CZ3 3.4Å; C172-W219 HydrophobicContact CB-CE3 4.39Å; C172-W219 HydrophobicContact CB-CH2 3.62Å; C172-W219 HydrophobicContact CB-CZ3 3.43Å; C172-W219 VanDerWaalsContact CB-CZ3 3.43Å; K205-W219 HydrophobicContact CB-CE3 4.19Å; K205-W219 HydrophobicContact CD-CB 4.14Å; K205-W219 HydrophobicContact CD-CD2 3.92Å; K205-W219 HydrophobicContact CD-CE3 3.7Å; K205-W219 HydrophobicContact CD-CG 4.12Å; K205-W219 HydrophobicContact CD-CZ3 4.48Å; K205-W219 HydrophobicContact CG-CD2 4.32Å; K205-W219 HydrophobicContact CG-CE3 3.59Å; K205-W219 HydrophobicContact CG-CZ3 4.07Å; M207-W219 HydrophobicContact CB-CD2 3.78Å; M207-W219 HydrophobicContact CB-CE3 3.64Å; M207-W219 HydrophobicContact CB-CG 4.42Å; M207-W219 HydrophobicContact CB-CH2 4Å; M207-W219 HydrophobicContact CB-CZ2 4.12Å; M207-W219 HydrophobicContact CB-CZ3 3.76Å; M207-W219 HydrophobicContact CE-CZ2 4.2Å; M207-W219 HydrophobicContact SD-CD2 4.44Å; M207-W219 HydrophobicContact SD-CZ2 4.07Å |
| 220 | S | 97 | Very high | 87.3 | Confident | 11 Ų | 11 | 80.9 Ų | 80.9 | 8% | 0.077 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 163.9 | 164.7 | 76.1 | 0 | 0 | 0 | 0 | 111.3 | V206 | V206-S220 PolarHBondContact N-OG 3.41Å; V206-S220 PolarHBondContact O-N 2.84Å |
| 221 | E | 94.7 | Very high | 85.3 | Confident | 179 Ų | 179 | 87.3 Ų | 87.3 | 84% | 0.836 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -54 | 153.1 | 161 | -60.3 | -159.6 | 151.9 | 0 | 0 | 111.3 | ||
| 222 | E | 92.6 | Very high | 83.4 | Confident | 70 Ų | 70 | 89.5 Ų | 89.5 | 33% | 0.327 | 44% | 0.444 | S | S | . | . | trans | -95.5 | 108 | -174.4 | 178.8 | 176.1 | -120.6 | 0 | 0 | 111 | R174 C203 V204 K205 C224 | R174-E222 IonicContact CZ-OE1 2.7Å; R174-E222 IonicContact CZ-OE2 2.81Å; R174-E222 IonicContact NE-OE1 3.95Å; R174-E222 PolarHBondContact NE-OE1 3.1Å; R174-E222 IonicContact NE-OE2 2.74Å; R174-E222 PolarHBondContact NE-OE2 3.06Å; R174-E222 IonicContact NH2-OE1 3.26Å; R174-E222 IonicContact NH2-OE2 3.16Å; R174-E222 PolarHBondContact NH2-OE2 3.24Å; C203-E222 VanDerWaalsContact CB-CD 3.44Å; C203-E222 HydrophobicContact CB-CG 3.38Å; V204-E222 WeakPolarHBondContact O-CA 3.29Å; K205-E222 HydrophobicContact CB-CB 4.33Å; E222-C224 PolarHBondContact O-N 2.92Å | ||
| 223 | Q | 92.1 | Very high | 81.6 | Confident | 67 Ų | 67 | 93.1 Ų | 93.1 | 31% | 0.313 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 109.8 | 177.8 | -170 | 169.2 | 79.9 | 0 | 0 | 110.6 | V132 V134 C203 V204 | V132-Q223 VanDerWaalsContact O-CD 3.3Å; V132-Q223 PolarHBondContact O-NE2 3.13Å; V132-Q223 PolarHBondContact O-OE1 2.93Å; V134-Q223 VanDerWaalsContact CB-OE1 3.3Å; C203-Q223 CarbonylContact C-O 3.58Å; C203-Q223 WeakPolarHBondContact CA-O 3.44Å; V204-Q223 PolarHBondContact N-O 2.84Å; V204-Q223 PolarHBondContact O-N 2.84Å |
| 224 | C | 90.1 | Very high | 80.1 | Confident | 60 Ų | 60 | 94 Ų | 94 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131 | 177.7 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | F202 C203 E222 | F202-C224 WeakPolarHBondContact O-CA 3.5Å; C203-C224 HydrophobicContact CB-CB 3.94Å; C203-C224 WeakPolarHBondContact CB-SG 3.46Å; C203-C224 VanDerWaalsContact SG-CA 3.57Å; C203-C224 WeakPolarHBondContact SG-CB 3.39Å; C203-C224 CovalentContact SG-SG 2.04Å; C203-C224 PolarHBondContact SG-SG 3.26Å; E222-C224 PolarHBondContact O-N 2.92Å |
| 225 | L | 85.8 | Confident | 78.8 | Confident | 39 Ų | 39 | 92 Ų | 92 | 20% | 0.204 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148 | -179.8 | -73.5 | 167.1 | 0 | 0 | 0 | 111.8 | V134 V136 K201 F202 | V134-L225 HydrophobicContact CB-CD1 3.69Å; V134-L225 HydrophobicContact CG1-CD1 3.46Å; V134-L225 VanDerWaalsContact CG1-CD1 3.46Å; V136-L225 HydrophobicContact CG2-CD1 4.16Å; K201-L225 WeakPolarHBondContact CA-O 3.2Å; F202-L225 HydrophobicContact CE2-CB 4.25Å; F202-L225 HydrophobicContact CE2-CD1 4.06Å; F202-L225 HydrophobicContact CZ-CB 4.26Å; F202-L225 HydrophobicContact CZ-CD1 4.17Å; F202-L225 PolarHBondContact N-O 2.95Å; F202-L225 VanDerWaalsContact N-O 3.1Å; F202-L225 PolarHBondContact O-N 3.22Å; F202-L225 VanDerWaalsContact O-O 3.09Å |
| 226 | H | 81.4 | Confident | 77.6 | Confident | 128 Ų | 128 | 94.7 Ų | 94.7 | 59% | 0.593 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.5 | 170.1 | -72.5 | -114.9 | 0 | 0 | 0 | 108.8 | R200 K201 T228 | R200-H226 CarbonylContact O-C 3.44Å; R200-H226 WeakPolarHBondContact O-CA 3.4Å; K201-H226 WeakPolarHBondContact CD-NE2 3.38Å; K201-H226 VanDerWaalsContact CE-NE2 3.3Å; K201-H226 WeakPolarHBondContact CE-NE2 3.14Å; K201-H226 PolarHBondContact NZ-NE2 2.94Å; H226-T228 PolarHBondContact O-N 3.3Å |
| 227 | V | 76.8 | Confident | 76.5 | Confident | 32 Ų | 32 | 91.7 Ų | 91.7 | 19% | 0.194 | 47% | 0.465 | C | S | . | . | trans | -89.7 | 99.8 | 174.5 | -174.1 | 0 | 0 | 0 | 0 | 108 | V136 R200 F202 T229 | V136-V227 HydrophobicContact CG1-CG1 4.34Å; V136-V227 HydrophobicContact CG1-CG2 4.31Å; R200-V227 PolarHBondContact O-N 2.83Å; F202-V227 HydrophobicContact CD1-CG2 4.03Å; F202-V227 HydrophobicContact CE1-CG2 3.54Å; V227-T229 PolarHBondContact O-N 2.86Å | ||
| 228 | T | 66.3 | Low | 75.7 | Confident | 102 Ų | 102 | 94.8 Ų | 94.8 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | trans | -65.6 | 122.9 | 162.5 | 43.9 | 0 | 0 | 0 | 0 | 108.2 | H226 E230 | H226-T228 PolarHBondContact O-N 3.3Å; T228-E230 PolarHBondContact O-N 3.44Å | ||
| 229 | T | 58.4 | Low | 75.1 | Confident | 86 Ų | 86 | 94.5 Ų | 94.5 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | trans | -80.4 | 77.1 | 178.1 | -50.3 | 0 | 0 | 0 | 0 | 109.6 | V227 H231 | V227-T229 PolarHBondContact O-N 2.86Å; T229-H231 PolarHBondContact O-N 3.23Å | ||
| 230 | E | 54.6 | Low | 74.6 | Confident | 142 Ų | 142 | 94.9 Ų | 94.9 | 66% | 0.664 | 49% | 0.491 | S | S | * | . | trans | -64.1 | 30 | 178.1 | -71.8 | -62.5 | 141.3 | 0 | 0 | 114.4 | T228 | T228-E230 PolarHBondContact O-N 3.44Š| ||
| 231 | H | 52.6 | Low | 74.2 | Confident | 136 Ų | 136 | 100.3 Ų | 100.3 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | trans | -124.5 | 29 | -174.2 | -78.6 | 14.7 | 0 | 0 | 0 | 113.2 | T229 F233 | T229-H231 PolarHBondContact O-N 3.23Å; H231-F233 VanDerWaalsContact C-N 3.26Å | ||
| 232 | Y | 51.6 | Low | 73.9 | Confident | 178 Ų | 178 | 97.3 Ų | 97.3 | 70% | 0.698 | 50% | 0.497 | S | S | * | . | trans | -82.7 | -3.6 | 161.5 | -76.5 | -81.6 | 0 | 0 | 0 | 113.2 | T234 T236 | Y232-T234 PolarHBondContact O-N 2.96Å; Y232-T236 PolarHBondContact O-OG1 2.67Å | ||
| 233 | F | 52.8 | Low | 73.9 | Confident | 157 Ų | 157 | 98.9 Ų | 98.9 | 69% | 0.689 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -10.3 | -171.6 | -138.7 | -98.1 | 0 | 0 | 0 | 115.1 | H231 N237 | H231-F233 VanDerWaalsContact C-N 3.26Å; F233-N237 WeakPolarHBondContact CD1-ND2 3.42Å; F233-N237 WeakPolarHBondContact CE1-ND2 3.47Å; F233-N237 WeakPolarHBondContact O-CB 3.44Å; F233-N237 PolarHBondContact O-ND2 3.11Å |
| 234 | T | 60.5 | Low | 73.9 | Confident | 92 Ų | 92 | 98.8 Ų | 98.8 | 56% | 0.564 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -59.8 | 177.7 | 51.3 | 0 | 0 | 0 | 0 | 112 | Y232 T236 N237 L238 | Y232-T234 PolarHBondContact O-N 2.96Å; T234-T236 PolarHBondContact O-N 3.1Å; T234-N237 PolarHBondContact O-N 2.93Å; T234-L238 WeakPolarHBondContact O-CB 3.36Å; T234-L238 PolarHBondContact O-N 3.44Å |
| 235 | V | 65.7 | Low | 74.1 | Confident | 112 Ų | 112 | 99.4 Ų | 99.4 | 68% | 0.679 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -38.8 | -172.6 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | S239 | V235-S239 VanDerWaalsContact O-CB 3.32Å; V235-S239 WeakPolarHBondContact O-CB 3.45Å; V235-S239 PolarHBondContact O-N 2.75Å |
| 236 | T | 70.7 | Confident | 74.5 | Confident | 68 Ų | 68 | 103.5 Ų | 103.5 | 42% | 0.417 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.9 | -50.4 | 178.3 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | Y232 T234 S239 I240 | Y232-T236 PolarHBondContact O-OG1 2.67Å; T234-T236 PolarHBondContact O-N 3.1Å; T236-S239 WeakPolarHBondContact O-CB 3.28Å; T236-S239 PolarHBondContact O-N 2.64Å; T236-I240 WeakPolarHBondContact O-CG1 3.43Å; T236-I240 PolarHBondContact O-N 3.08Å |
| 237 | N | 71.8 | Confident | 75.2 | Confident | 63 Ų | 63 | 103.2 Ų | 103.2 | 34% | 0.337 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.4 | -34.6 | 178.6 | -71.1 | -64 | 0 | 0 | 0 | 113 | F233 T234 I240 F241 | F233-N237 WeakPolarHBondContact CD1-ND2 3.42Å; F233-N237 WeakPolarHBondContact CE1-ND2 3.47Å; F233-N237 WeakPolarHBondContact O-CB 3.44Å; F233-N237 PolarHBondContact O-ND2 3.11Å; T234-N237 PolarHBondContact O-N 2.93Å; N237-I240 PolarHBondContact O-N 2.89Å; N237-F241 WeakPolarHBondContact O-CB 3.31Å; N237-F241 PolarHBondContact O-N 2.93Å |
| 238 | L | 81.4 | Confident | 76 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.5 | -46.1 | 169.2 | -112 | 65.4 | 0 | 0 | 0 | 111 | T234 I240 F241 F242 | T234-L238 WeakPolarHBondContact O-CB 3.36Å; T234-L238 PolarHBondContact O-N 3.44Å; L238-I240 PolarHBondContact O-N 2.84Å; L238-F241 PolarHBondContact O-N 2.8Å; L238-F242 HydrophobicContact CB-CD2 4.36Å; L238-F242 HydrophobicContact CB-CE2 4.21Å; L238-F242 HydrophobicContact CD2-CE2 4.09Å; L238-F242 HydrophobicContact CG-CE2 3.92Å; L238-F242 WeakPolarHBondContact O-CD2 3.25Å; L238-F242 WeakPolarHBondContact O-CG 3.37Å; L238-F242 PolarHBondContact O-N 2.9Å |
| 239 | S | 83.6 | Confident | 77.3 | Confident | 65 Ų | 65 | 105 Ų | 105 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | V235 T236 F241 F242 L243 | V235-S239 VanDerWaalsContact O-CB 3.32Å; V235-S239 WeakPolarHBondContact O-CB 3.45Å; V235-S239 PolarHBondContact O-N 2.75Å; T236-S239 WeakPolarHBondContact O-CB 3.28Å; T236-S239 PolarHBondContact O-N 2.64Å; S239-F241 PolarHBondContact O-N 2.9Å; S239-F242 PolarHBondContact O-N 3.11Å; S239-L243 WeakPolarHBondContact O-CB 3.32Å; S239-L243 WeakPolarHBondContact O-CD1 3.35Å; S239-L243 PolarHBondContact O-N 3.22Å |
| 240 | I | 87.1 | Confident | 78.9 | Confident | 108 Ų | 108 | 102.6 Ų | 102.6 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 176.4 | -67.2 | 163.2 | 0 | 0 | 0 | 111.2 | T236 N237 L238 L243 S244 | T236-I240 WeakPolarHBondContact O-CG1 3.43Å; T236-I240 PolarHBondContact O-N 3.08Å; N237-I240 PolarHBondContact O-N 2.89Å; L238-I240 PolarHBondContact O-N 2.84Å; I240-L243 PolarHBondContact O-N 3.06Å; I240-S244 WeakPolarHBondContact O-CB 3.35Å; I240-S244 PolarHBondContact O-N 2.99Å |
| 241 | F | 87.1 | Confident | 80.8 | Confident | 124 Ų | 124 | 98.2 Ų | 98.2 | 54% | 0.544 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 177.1 | -177.2 | -110 | 0 | 0 | 0 | 112.1 | N237 L238 S239 S244 I245 | N237-F241 WeakPolarHBondContact O-CB 3.31Å; N237-F241 PolarHBondContact O-N 2.93Å; L238-F241 PolarHBondContact O-N 2.8Å; S239-F241 PolarHBondContact O-N 2.9Å; F241-S244 WeakPolarHBondContact O-CB 3.25Å; F241-S244 PolarHBondContact O-N 2.57Å; F241-I245 HydrophobicContact CD1-CD1 3.83Å; F241-I245 HydrophobicContact CE1-CD1 3.5Å; F241-I245 HydrophobicContact CE2-CD1 4.27Å; F241-I245 HydrophobicContact CG-CD1 4.35Å; F241-I245 HydrophobicContact CZ-CD1 3.75Å; F241-I245 WeakPolarHBondContact O-CG1 3.29Å; F241-I245 PolarHBondContact O-N 2.73Å |
| 242 | F | 89.7 | Confident | 82.7 | Confident | 117 Ų | 117 | 96.3 Ų | 96.3 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 174.8 | -72.4 | -57 | 0 | 0 | 0 | 112.5 | L238 S239 I245 L246 | L238-F242 HydrophobicContact CB-CD2 4.36Å; L238-F242 HydrophobicContact CB-CE2 4.21Å; L238-F242 HydrophobicContact CD2-CE2 4.09Å; L238-F242 HydrophobicContact CG-CE2 3.92Å; L238-F242 WeakPolarHBondContact O-CD2 3.25Å; L238-F242 WeakPolarHBondContact O-CG 3.37Å; L238-F242 PolarHBondContact O-N 2.9Å; S239-F242 PolarHBondContact O-N 3.11Å; F242-I245 PolarHBondContact O-N 3.36Å; F242-L246 VanDerWaalsContact O-CG 3.31Å; F242-L246 WeakPolarHBondContact O-CG 3.47Å; F242-L246 PolarHBondContact O-N 3.21Å |
| 243 | L | 92.4 | Very high | 84.6 | Confident | 102 Ų | 102 | 92.1 Ų | 92.1 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 172.3 | -104.2 | 71.5 | 0 | 0 | 0 | 111.7 | S239 I240 I245 L246 I247 | S239-L243 WeakPolarHBondContact O-CB 3.32Å; S239-L243 WeakPolarHBondContact O-CD1 3.35Å; S239-L243 PolarHBondContact O-N 3.22Å; I240-L243 PolarHBondContact O-N 3.06Å; L243-I245 PolarHBondContact O-N 3.1Å; L243-L246 PolarHBondContact O-N 3.35Å; L243-I247 VanDerWaalsContact O-CG1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.37Å; L243-I247 PolarHBondContact O-N 2.74Å |
| 244 | S | 91.8 | Very high | 86.3 | Confident | 66 Ų | 66 | 88 Ų | 88 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 177.8 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | I240 F241 L246 I247 L248 | I240-S244 WeakPolarHBondContact O-CB 3.35Å; I240-S244 PolarHBondContact O-N 2.99Å; F241-S244 WeakPolarHBondContact O-CB 3.25Å; F241-S244 PolarHBondContact O-N 2.57Å; S244-L246 PolarHBondContact O-N 3.12Å; S244-I247 PolarHBondContact O-N 3.38Å; S244-L248 WeakPolarHBondContact O-CB 3.47Å; S244-L248 PolarHBondContact O-N 2.86Å |
| 245 | I | 94.1 | Very high | 87.7 | Confident | 73 Ų | 73 | 89 Ų | 89 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 175.6 | -70.1 | 166.9 | 0 | 0 | 0 | 111.3 | F241 F242 L243 I247 L248 C249 | F241-I245 HydrophobicContact CD1-CD1 3.83Å; F241-I245 HydrophobicContact CE1-CD1 3.5Å; F241-I245 HydrophobicContact CE2-CD1 4.27Å; F241-I245 HydrophobicContact CG-CD1 4.35Å; F241-I245 HydrophobicContact CZ-CD1 3.75Å; F241-I245 WeakPolarHBondContact O-CG1 3.29Å; F241-I245 PolarHBondContact O-N 2.73Å; F242-I245 PolarHBondContact O-N 3.36Å; L243-I245 PolarHBondContact O-N 3.1Å; I245-I247 PolarHBondContact O-N 3.01Å; I245-L248 PolarHBondContact O-N 3.21Å; I245-C249 WeakPolarHBondContact O-CB 3.36Å; I245-C249 PolarHBondContact O-N 3.12Å; I245-C249 PolarHBondContact O-SG 3.18Å; I245-C249 VanDerWaalsContact O-SG 3.34Å |
| 246 | L | 94.4 | Very high | 88.7 | Confident | 124 Ų | 124 | 88.1 Ų | 88.1 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | 179.1 | -73.4 | 169 | 0 | 0 | 0 | 112.3 | F242 L243 S244 G250 | F242-L246 VanDerWaalsContact O-CG 3.31Å; F242-L246 WeakPolarHBondContact O-CG 3.47Å; F242-L246 PolarHBondContact O-N 3.21Å; L243-L246 PolarHBondContact O-N 3.35Å; S244-L246 PolarHBondContact O-N 3.12Å; L246-G250 PolarHBondContact O-N 3.34Å |
| 247 | I | 95 | Very high | 89.3 | Confident | 123 Ų | 123 | 89.3 Ų | 89.3 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | 175.8 | -68.1 | 163.9 | 0 | 0 | 0 | 110.6 | L243 S244 I245 G250 A251 | L243-I247 VanDerWaalsContact O-CG1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.37Å; L243-I247 PolarHBondContact O-N 2.74Å; S244-I247 PolarHBondContact O-N 3.38Å; I245-I247 PolarHBondContact O-N 3.01Å; I247-G250 PolarHBondContact O-N 3.42Å; I247-A251 WeakPolarHBondContact O-CB 3.5Å; I247-A251 PolarHBondContact O-N 2.68Å |
| 248 | L | 94.5 | Very high | 89.9 | Confident | 105 Ų | 105 | 90.4 Ų | 90.4 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69 | -40 | -178 | -159.6 | 147.6 | 0 | 0 | 0 | 111.8 | S244 I245 A251 L252 | S244-L248 WeakPolarHBondContact O-CB 3.47Å; S244-L248 PolarHBondContact O-N 2.86Å; I245-L248 PolarHBondContact O-N 3.21Å; L248-A251 PolarHBondContact O-N 3.35Å; L248-L252 HydrophobicContact CD2-CD1 3.82Å; L248-L252 HydrophobicContact CD2-CG 4.35Å; L248-L252 WeakPolarHBondContact O-CG 3.25Å; L248-L252 PolarHBondContact O-N 3.3Å |
| 249 | C | 93.3 | Very high | 89.9 | Confident | 66 Ų | 66 | 94 Ų | 94 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 169.9 | -72.9 | 0 | 0 | 0 | 0 | 112.2 | I245 L252 V253 | I245-C249 WeakPolarHBondContact O-CB 3.36Å; I245-C249 PolarHBondContact O-N 3.12Å; I245-C249 PolarHBondContact O-SG 3.18Å; I245-C249 VanDerWaalsContact O-SG 3.34Å; C249-L252 PolarHBondContact O-N 3.37Å; C249-V253 WeakPolarHBondContact O-CG2 3.3Å; C249-V253 PolarHBondContact O-N 3.45Å |
| 250 | G | 93.3 | Very high | 89.7 | Confident | 36 Ų | 36 | 99.2 Ų | 99.2 | 37% | 0.371 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L246 I247 L252 V253 C254 | L246-G250 PolarHBondContact O-N 3.34Å; I247-G250 PolarHBondContact O-N 3.42Å; G250-L252 PolarHBondContact O-N 3.44Å; G250-V253 PolarHBondContact O-N 3.11Å; G250-C254 PolarHBondContact O-N 2.72Å; G250-C254 PolarHBondContact O-SG 2.77Å |
| 251 | A | 93 | Very high | 89.4 | Confident | 49 Ų | 49 | 99.9 Ų | 99.9 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I247 L248 C254 L255 | I247-A251 WeakPolarHBondContact O-CB 3.5Å; I247-A251 PolarHBondContact O-N 2.68Å; L248-A251 PolarHBondContact O-N 3.35Å; A251-C254 PolarHBondContact O-N 2.61Å; A251-L255 WeakPolarHBondContact O-CB 3.38Å; A251-L255 VanDerWaalsContact O-CG 3.31Å; A251-L255 WeakPolarHBondContact O-CG 3.38Å; A251-L255 PolarHBondContact O-N 2.81Å |
| 252 | L | 92.7 | Very high | 88.8 | Confident | 96 Ų | 96 | 103.1 Ų | 103.1 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.9 | -73 | 169.9 | 0 | 0 | 0 | 112.3 | L248 C249 G250 L255 V256 | L248-L252 HydrophobicContact CD2-CD1 3.82Å; L248-L252 HydrophobicContact CD2-CG 4.35Å; L248-L252 WeakPolarHBondContact O-CG 3.25Å; L248-L252 PolarHBondContact O-N 3.3Å; C249-L252 PolarHBondContact O-N 3.37Å; G250-L252 PolarHBondContact O-N 3.44Å; L252-L255 PolarHBondContact O-N 2.83Å; L252-V256 WeakPolarHBondContact O-CG2 3.47Å; L252-V256 PolarHBondContact O-N 3.11Å |
| 253 | V | 92.4 | Very high | 87.6 | Confident | 90 Ų | 90 | 103.2 Ų | 103.2 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | C249 G250 L255 V256 L257 | C249-V253 WeakPolarHBondContact O-CG2 3.3Å; C249-V253 PolarHBondContact O-N 3.45Å; G250-V253 PolarHBondContact O-N 3.11Å; V253-L255 PolarHBondContact O-N 3.11Å; V253-V256 PolarHBondContact O-N 3.42Å; V253-L257 HydrophobicContact CG1-CD1 4.01Å; V253-L257 WeakPolarHBondContact O-CG 3.44Å; V253-L257 PolarHBondContact O-N 3.17Å |
| 254 | C | 88.7 | Confident | 86 | Confident | 72 Ų | 72 | 103.5 Ų | 103.5 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 174.3 | -74.1 | 0 | 0 | 0 | 0 | 112.6 | G250 A251 L257 L258 | G250-C254 PolarHBondContact O-N 2.72Å; G250-C254 PolarHBondContact O-SG 2.77Å; A251-C254 PolarHBondContact O-N 2.61Å; C254-L257 PolarHBondContact O-N 2.99Å; C254-L258 WeakPolarHBondContact O-CB 3.12Å; C254-L258 VanDerWaalsContact O-CG 3.23Å; C254-L258 WeakPolarHBondContact O-CG 3.29Å; C254-L258 PolarHBondContact O-N 3.32Å |
| 255 | L | 88.5 | Confident | 84.7 | Confident | 111 Ų | 111 | 103.4 Ų | 103.4 | 58% | 0.581 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.5 | -41.3 | 176 | -73.9 | 169.2 | 0 | 0 | 0 | 112.1 | A251 L252 V253 L258 W259 | A251-L255 WeakPolarHBondContact O-CB 3.38Å; A251-L255 VanDerWaalsContact O-CG 3.31Å; A251-L255 WeakPolarHBondContact O-CG 3.38Å; A251-L255 PolarHBondContact O-N 2.81Å; L252-L255 PolarHBondContact O-N 2.83Å; V253-L255 PolarHBondContact O-N 3.11Å; L255-L258 PolarHBondContact O-N 3.35Å; L255-W259 VanDerWaalsContact O-CB 3.32Å; L255-W259 WeakPolarHBondContact O-CB 3.5Å; L255-W259 PolarHBondContact O-N 2.87Å |
| 256 | V | 86.8 | Confident | 83.1 | Confident | 94 Ų | 94 | 110.1 Ų | 110.1 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.8 | -42.7 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L252 V253 W259 Y260 | L252-V256 WeakPolarHBondContact O-CG2 3.47Å; L252-V256 PolarHBondContact O-N 3.11Å; V253-V256 PolarHBondContact O-N 3.42Å; V256-W259 PolarHBondContact O-N 3.01Å; V256-Y260 WeakPolarHBondContact O-CB 3.21Å; V256-Y260 PolarHBondContact O-N 3.32Å |
| 257 | L | 84.8 | Confident | 81.2 | Confident | 94 Ų | 94 | 111.1 Ų | 111.1 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.9 | -45.1 | 174.7 | -76.7 | 164.7 | 0 | 0 | 0 | 112.1 | V253 C254 W259 Y260 I261 | V253-L257 HydrophobicContact CG1-CD1 4.01Å; V253-L257 WeakPolarHBondContact O-CG 3.44Å; V253-L257 PolarHBondContact O-N 3.17Å; C254-L257 PolarHBondContact O-N 2.99Å; L257-W259 VanDerWaalsContact C-N 3.31Å; L257-W259 PolarHBondContact O-N 3.12Å; L257-Y260 PolarHBondContact O-N 3.42Å; L257-I261 WeakPolarHBondContact O-CB 3.19Å; L257-I261 WeakPolarHBondContact O-CD1 3.38Å; L257-I261 VanDerWaalsContact O-CG1 3.24Å; L257-I261 WeakPolarHBondContact O-CG1 3.43Å; L257-I261 PolarHBondContact O-N 2.75Å |
| 258 | L | 83.8 | Confident | 79.1 | Confident | 85 Ų | 85 | 109.8 Ų | 109.8 | 45% | 0.445 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -34.4 | 176.6 | -73.8 | 168.8 | 0 | 0 | 0 | 112.4 | C254 L255 R262 | C254-L258 WeakPolarHBondContact O-CB 3.12Å; C254-L258 VanDerWaalsContact O-CG 3.23Å; C254-L258 WeakPolarHBondContact O-CG 3.29Å; C254-L258 PolarHBondContact O-N 3.32Å; L255-L258 PolarHBondContact O-N 3.35Å; L258-R262 VanDerWaalsContact O-CB 3.3Å; L258-R262 WeakPolarHBondContact O-CB 3.42Å; L258-R262 VanDerWaalsContact O-CG 3.29Å; L258-R262 WeakPolarHBondContact O-CG 3.36Å; L258-R262 PolarHBondContact O-N 3.34Å |
| 259 | W | 81.9 | Confident | 77.2 | Confident | 173 Ų | 173 | 109.3 Ų | 109.3 | 66% | 0.655 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.6 | -45.6 | 174.1 | -173.1 | 65.7 | 0 | 0 | 0 | 111.5 | L255 V256 L257 I261 R262 H263 | L255-W259 VanDerWaalsContact O-CB 3.32Å; L255-W259 WeakPolarHBondContact O-CB 3.5Å; L255-W259 PolarHBondContact O-N 2.87Å; V256-W259 PolarHBondContact O-N 3.01Å; L257-W259 VanDerWaalsContact C-N 3.31Å; L257-W259 PolarHBondContact O-N 3.12Å; W259-I261 PolarHBondContact O-N 3.13Å; W259-R262 PolarHBondContact O-N 3.16Å; W259-H263 AromaticContact CD1-CD2 3.34Å; W259-H263 AromaticContact CD1-NE2 3.69Å; W259-H263 AromaticContact CE2-CD2 3.91Å; W259-H263 AromaticContact NE1-CD2 3.19Å; W259-H263 PolarHBondContact NE1-CD2 2.98Å; W259-H263 AromaticContact NE1-NE2 3.37Å; W259-H263 PolarHBondContact NE1-NE2 3.36Å; W259-H263 PolarHBondContact O-CD2 3.48Å; W259-H263 PolarHBondContact O-N 3.28Å |
| 260 | Y | 79.4 | Confident | 75.4 | Confident | 176 Ų | 176 | 112.3 Ų | 112.3 | 69% | 0.69 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.4 | -42.9 | 175.3 | -178.7 | -99.9 | 0 | 0 | 0 | 112.5 | V256 L257 H263 | V256-Y260 WeakPolarHBondContact O-CB 3.21Å; V256-Y260 PolarHBondContact O-N 3.32Å; L257-Y260 PolarHBondContact O-N 3.42Å; Y260-H263 CarbonylContact O-C 3.51Å; Y260-H263 PolarHBondContact O-N 3.49Å |
| 261 | I | 79.8 | Confident | 73.4 | Confident | 121 Ų | 121 | 116.2 Ų | 116.2 | 62% | 0.621 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.3 | -34.2 | 176.9 | -67.1 | 165 | 0 | 0 | 0 | 111.7 | L257 W259 | L257-I261 WeakPolarHBondContact O-CB 3.19Å; L257-I261 WeakPolarHBondContact O-CD1 3.38Å; L257-I261 VanDerWaalsContact O-CG1 3.24Å; L257-I261 WeakPolarHBondContact O-CG1 3.43Å; L257-I261 PolarHBondContact O-N 2.75Å; W259-I261 PolarHBondContact O-N 3.13Å |
| 262 | R | 75.2 | Confident | 71.2 | Confident | 193 Ų | 193 | 119.8 Ų | 119.8 | 73% | 0.728 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -79.5 | -20.2 | 177.2 | -77.5 | 177 | 169.5 | 155.2 | -1.7 | 114.3 | L258 W259 P264 | L258-R262 VanDerWaalsContact O-CB 3.3Å; L258-R262 WeakPolarHBondContact O-CB 3.42Å; L258-R262 VanDerWaalsContact O-CG 3.29Å; L258-R262 WeakPolarHBondContact O-CG 3.36Å; L258-R262 PolarHBondContact O-N 3.34Å; W259-R262 PolarHBondContact O-N 3.16Å; R262-P264 VanDerWaalsContact O-CD 3.28Å; R262-P264 WeakPolarHBondContact O-CD 3.43Å |
| 263 | H | 63.3 | Low | 69.1 | Low | 119 Ų | 119 | 124 Ų | 124 | 55% | 0.551 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -116.6 | 71.5 | 175.1 | -68.7 | -83.6 | 0 | 0 | 0 | 111.3 | W259 Y260 G265 | W259-H263 AromaticContact CD1-CD2 3.34Å; W259-H263 AromaticContact CD1-NE2 3.69Å; W259-H263 AromaticContact CE2-CD2 3.91Å; W259-H263 AromaticContact NE1-CD2 3.19Å; W259-H263 PolarHBondContact NE1-CD2 2.98Å; W259-H263 AromaticContact NE1-NE2 3.37Å; W259-H263 PolarHBondContact NE1-NE2 3.36Å; W259-H263 PolarHBondContact O-CD2 3.48Å; W259-H263 PolarHBondContact O-N 3.28Å; Y260-H263 CarbonylContact O-C 3.51Å; Y260-H263 PolarHBondContact O-N 3.49Å; H263-G265 PolarHBondContact O-N 3.3Å |
| 264 | P | 59.1 | Low | 66.7 | Low | 108 Ų | 108 | 128.5 Ų | 128.5 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | trans | -59.1 | 112.9 | 169.1 | 26.6 | -33.6 | 0 | 0 | 0 | 109.2 | R262 | R262-P264 VanDerWaalsContact O-CD 3.28Å; R262-P264 WeakPolarHBondContact O-CD 3.43Å | ||
| 265 | G | 63.7 | Low | 64.5 | Low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | trans | -58.9 | 143.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | H263 L267 | H263-G265 PolarHBondContact O-N 3.3Å; G265-L267 PolarHBondContact O-N 3.36Å | ||
| 266 | K | 61 | Low | 62.3 | Low | 214 Ų | 214 | 131.6 Ų | 131.6 | 93% | 0.93 | 68% | 0.682 | S | S | * | * | trans | -59.5 | 114.2 | 174 | -72.8 | -175.8 | 177.4 | -180 | 0 | 109.1 | ||||
| 267 | L | 55.3 | Low | 60.2 | Low | 145 Ų | 145 | 132.4 Ų | 132.4 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | trans | -56.8 | 139.4 | 175.1 | -70.9 | 166.7 | 0 | 0 | 0 | 110.1 | G265 | G265-L267 PolarHBondContact O-N 3.36Š| ||
| 268 | P | 51.5 | Low | 57.9 | Low | 95 Ų | 95 | 134.2 Ų | 134.2 | 62% | 0.617 | 70% | 0.699 | S | S | * | * | trans | -62.7 | 141.2 | 173.9 | 27 | -33.7 | 0 | 0 | 0 | 110 | V270 | P268-V270 PolarHBondContact O-N 3.34Š| ||
| 269 | A | 54.3 | Low | 55.9 | Low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 24.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 270 | V | 54.8 | Low | 53.6 | Low | 129 Ų | 129 | 139.2 Ų | 139.2 | 78% | 0.782 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -17.9 | -179.7 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | P268 | P268-V270 PolarHBondContact O-N 3.34Š|
| 271 | L | 50.7 | Low | 51.5 | Low | 119 Ų | 119 | 138.8 Ų | 138.8 | 62% | 0.623 | 74% | 0.738 | S | S | * | * | trans | -102.2 | 37.5 | 178.2 | -61.1 | -179.4 | 0 | 0 | 0 | 113.2 | F273 | L271-F273 VanDerWaalsContact C-N 3.33Å; L271-F273 HydrophobicContact CD2-CE2 4.2Å; L271-F273 PolarHBondContact O-N 3.42Å; L271-F273 VanDerWaalsContact O-N 3.1Å | ||
| 272 | V | 46.9 | Very low | 49.1 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | trans | -76.9 | 89.5 | 163.8 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | E274 | V272-E274 PolarHBondContact O-N 3.34Š| ||
| 273 | F | 48.3 | Very low | 47.2 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 120.1 | 171.2 | -84.2 | -83.9 | 0 | 0 | 0 | 110 | L271 | L271-F273 VanDerWaalsContact C-N 3.33Å; L271-F273 HydrophobicContact CD2-CE2 4.2Å; L271-F273 PolarHBondContact O-N 3.42Å; L271-F273 VanDerWaalsContact O-N 3.1Å |
| 274 | E | 42.9 | Very low | 46.2 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 135.5 | 176.1 | -169 | 167.8 | -145.7 | 0 | 0 | 110.4 | V272 P276 | V272-E274 PolarHBondContact O-N 3.34Å; E274-P276 WeakPolarHBondContact O-CD 3.3Å |
| 275 | K | 41.4 | Very low | 44.4 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 64% | 0.635 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 121.7 | -174 | -167.6 | -159.6 | 176.9 | -140.2 | 0 | 109.7 | D278 | K275-D278 IonicContact NZ-OD1 3.67Å; K275-D278 PolarHBondContact NZ-OD1 3.12Å; K275-D278 VanDerWaalsContact NZ-OD1 3.1Å; K275-D278 IonicContact NZ-OD2 3.27Å; K275-D278 PolarHBondContact NZ-OD2 3Å |
| 276 | P | 42.7 | Very low | 42.5 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 144.3 | 173.6 | 27.7 | -34 | 0 | 0 | 0 | 110.7 | E274 | E274-P276 WeakPolarHBondContact O-CD 3.3Š|
| 277 | P | 43.2 | Very low | 41.7 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 142.9 | -177.6 | 29.4 | -34.8 | 0 | 0 | 0 | 112.2 | ||
| 278 | D | 37.2 | Very low | 40.3 | Very low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 128.6 | -174 | -51.7 | -87.5 | 0 | 0 | 0 | 112 | K275 | K275-D278 IonicContact NZ-OD1 3.67Å; K275-D278 PolarHBondContact NZ-OD1 3.12Å; K275-D278 VanDerWaalsContact NZ-OD1 3.1Å; K275-D278 IonicContact NZ-OD2 3.27Å; K275-D278 PolarHBondContact NZ-OD2 3Å |
| 279 | F | 40.4 | Very low | 39.4 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -108.1 | 134.8 | 164.7 | -90.4 | -83 | 0 | 0 | 0 | 110.6 | ||||
| 280 | L | 34.9 | Very low | 38.4 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -63.2 | 134.2 | -172.1 | -58.3 | 173.4 | 0 | 0 | 0 | 111.5 | ||||
| 281 | L | 34.1 | Very low | 37.3 | Very low | 167 Ų | 167 | 143 Ų | 143 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | 71.4 | 79 | 59.4 | -168.2 | 84.5 | 0 | 0 | 0 | 114.7 | |||||
| 282 | A | 30.9 | Very low | 36.5 | Very low | 91 Ų | 91 | 143.3 Ų | 143.3 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -162.3 | 115.2 | 142.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 283 | N | 34.3 | Very low | 35.7 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | 60.4 | 144.7 | 85.4 | -105.9 | -13.8 | 0 | 0 | 0 | 114.6 | |||||
| 284 | P | 41.7 | Very low | 34.8 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | cis | -143.9 | 169.5 | 25.6 | 44.9 | -26.9 | 0 | 0 | 0 | 119 | ||||
| 285 | R | 22.1 | Very low | 34.3 | Very low | 212 Ų | 212 | 140.1 Ų | 140.1 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | 49.3 | 113.4 | 132.9 | -177.3 | -173.9 | -74.4 | 157.3 | -6.3 | 120.8 | ||||
| 286 | C | 25 | Very low | 33.7 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | 34.6 | 165 | 123.1 | -45.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 287 | P | 43.3 | Very low | 33.1 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | cis | -135 | -170.6 | -4.2 | 39 | -18.3 | 0 | 0 | 0 | 115.1 | ||||
| 288 | E | 26.6 | Very low | 32.7 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | 44.5 | 123.6 | 140.2 | -73.6 | 167.1 | 136.9 | 0 | 0 | 124.1 | ||||
| 289 | T | 32.6 | Very low | 32.5 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | 48.9 | 119.4 | 137.8 | 63 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 290 | L | 32.1 | Very low | 32.2 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | -155.6 | 146.2 | 107.5 | -141.9 | 76.7 | 0 | 0 | 0 | 111.3 | D292 | L290-D292 HydrophobicContact CD2-CB 4.48Š| |||
| 291 | D | 33.1 | Very low | 32.5 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -87.5 | 127.9 | 150.5 | -89.6 | -53.4 | 0 | 0 | 0 | 107.5 | ||||
| 292 | D | 33.5 | Very low | 32.5 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | trans | -158.2 | 106.6 | 151.2 | -102.8 | -29.5 | 0 | 0 | 0 | 106.2 | L290 | L290-D292 HydrophobicContact CD2-CB 4.48Š| ||
| 293 | I | 29.7 | Very low | 32.4 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | 84.9 | 131.8 | 70.7 | -77.4 | -177.4 | 0 | 0 | 0 | 112.5 | |||||
| 294 | H | 29.4 | Very low | 32.1 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 71.1 | 147.7 | 165.8 | -70.2 | -15.4 | 0 | 0 | 0 | 117.4 | ||||
| 295 | I | 31.2 | Very low | 31.7 | Very low | 136 Ų | 136 | 143 Ų | 143 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | cis | -152.8 | -178.9 | -9.6 | -126.6 | 162.5 | 0 | 0 | 0 | 110.6 | ||||
| 296 | L | 30.5 | Very low | 32.3 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -56.6 | 167.3 | 167.8 | -58.2 | 88.5 | 0 | 0 | 0 | 111.2 | ||||
| 297 | D | 29 | Very low | 32.6 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | cis | -158.2 | 170.4 | 25.4 | -153.3 | -17.8 | 0 | 0 | 0 | 110.9 | ||||
| 298 | L | 35 | Very low | 31.9 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -132.8 | 49.5 | 172.5 | -156.1 | 80.7 | 0 | 0 | 0 | 112.8 | ||||
| 299 | E | 32.5 | Very low | 32.2 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | trans | -106.1 | 108.6 | 172.3 | -169 | 177.2 | -108 | 0 | 0 | 111.9 | ||||
| 300 | A | 34.3 | Very low | 32.2 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | -170 | 97.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 301 | F | 41.3 | Very low | 32.2 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -74 | 166.7 | 164.9 | -69.1 | -93.3 | 0 | 0 | 0 | 111.2 | ||||
| 302 | P | 35.5 | Very low | 32.1 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | -147.5 | 165.2 | 113.7 | 38.2 | -24.1 | 0 | 0 | 0 | 116.8 | |||||
| 303 | K | 28.2 | Very low | 32.3 | Very low | 198 Ų | 198 | 140.8 Ų | 140.8 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | 83.1 | 95.1 | 157.7 | -76.5 | 175.8 | 177.5 | 178.9 | 0 | 121.1 | ||||
| 304 | V | 28.6 | Very low | 32.7 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | -36.4 | 150.2 | 129.6 | -153.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 305 | S | 32.3 | Very low | 32.8 | Very low | 91 Ų | 91 | 139 Ų | 139 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | cis | -153.1 | -179.6 | 44.1 | -43.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 306 | P | 35.2 | Very low | 33.4 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | -120.8 | 158.3 | 94.1 | 36.9 | -35.9 | 0 | 0 | 0 | 114.3 | |||||
| 307 | E | 31.6 | Very low | 34.1 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -75.9 | 167.6 | 169.8 | -60.8 | 176.6 | 115.7 | 0 | 0 | 109.9 | ||||
| 308 | L | 27.4 | Very low | 34.6 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | cis | -163.5 | 151.4 | 34.5 | -167.3 | 96.2 | 0 | 0 | 0 | 112.2 | ||||
| 309 | K | 32.4 | Very low | 35.1 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | 82.1 | 112 | 161.8 | -76.9 | -162.4 | 164.9 | -161.6 | 0 | 123 | ||||
| 310 | D | 33 | Very low | 35.5 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | 70.8 | 116.2 | 119.8 | -51.2 | -12.4 | 0 | 0 | 0 | 122.2 | |||||
| 311 | S | 32.2 | Very low | 35.6 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 76 | 98.7 | 139.5 | -77.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 312 | D | 32.5 | Very low | 35.2 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | 99.1 | 131.8 | 105.8 | -76.3 | -53.1 | 0 | 0 | 0 | 124 | |||||
| 313 | L | 35.8 | Very low | 35.3 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | 73.2 | 103.6 | 150 | -89.1 | 108.6 | 0 | 0 | 0 | 124.5 | ||||
| 314 | H | 39.1 | Very low | 35.3 | Very low | 181 Ų | 181 | 124.5 Ų | 124.5 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | 67.1 | 148.9 | 132.5 | -76.9 | -122.6 | 0 | 0 | 0 | 121.5 | ||||
| 315 | G | 31.9 | Very low | 36 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | 179.4 | -33.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 316 | S | 43.7 | Very low | 36.7 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | 46.1 | 129.4 | 159.5 | -49.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 317 | T | 44.7 | Very low | 36.7 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | 69.8 | 150.4 | 134.6 | 51 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 318 | D | 40.6 | Very low | 36.6 | Very low | 138 Ų | 138 | 127 Ų | 127 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | cis | -168.2 | 163.5 | -9.4 | 169.3 | 53.2 | 0 | 0 | 0 | 112 | ||||
| 319 | S | 44.9 | Very low | 36.8 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 46.9 | 153.7 | 158.3 | 59.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 320 | G | 39.8 | Very low | 36.6 | Very low | 61 Ų | 61 | 125.9 Ų | 125.9 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | cis | 165 | 143.9 | -12.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 321 | F | 36.8 | Very low | 36.3 | Very low | 230 Ų | 230 | 127.7 Ų | 127.7 | 100% | 1.009 | 77% | 0.765 | S | S | * | * | trans | 61.1 | 151.2 | 169.8 | -65.2 | -91.8 | 0 | 0 | 0 | 119.3 | ||||
| 322 | G | 32.6 | Very low | 36.3 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | cis | 168.6 | 170.1 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 323 | S | 37.4 | Very low | 36.3 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 98% | 0.979 | 77% | 0.766 | S | S | * | * | trans | 77.9 | 151.3 | 167.4 | -156.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 324 | G | 29.6 | Very low | 36.2 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 126.6 | 95.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 325 | K | 42.3 | Very low | 35.6 | Very low | 209 Ų | 209 | 129.5 Ų | 129.5 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -154.9 | 155.5 | 157 | -95.6 | -174.1 | -178.3 | 179.4 | 0 | 106.9 | ||||
| 326 | P | 47.8 | Very low | 35.3 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -156 | -177.1 | 48.5 | 44.3 | -21.9 | 0 | 0 | 0 | 119.3 | ||||
| 327 | S | 34.5 | Very low | 34.7 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | 27.1 | 139.8 | 143.6 | 64.2 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 328 | L | 28.8 | Very low | 33.7 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | -176.4 | 143.6 | 121.2 | -87.3 | 156.7 | 0 | 0 | 0 | 106.5 | |||||
| 329 | Q | 32.6 | Very low | 33 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | cis | 72.4 | 137.4 | 40.4 | -72.9 | -169.3 | -22.3 | 0 | 0 | 114.3 | ||||
| 330 | T | 27.6 | Very low | 32.3 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -157.4 | 167.6 | -11.4 | -70.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 331 | E | 27.4 | Very low | 31.7 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | 146.4 | 119.2 | 105.5 | -156 | 155.9 | 149.6 | 0 | 0 | 107.4 | |||||
| 332 | E | 32.2 | Very low | 31.3 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | 49.7 | 145.9 | 102.5 | -65.5 | -166.4 | 174.2 | 0 | 0 | 117.3 | |||||
| 333 | S | 32.3 | Very low | 31.1 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -160.6 | -166.9 | -10.7 | 43.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 334 | Q | 33.3 | Very low | 30.6 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | cis | -158.5 | -175.4 | 26.5 | -71.7 | -166.4 | 9.3 | 0 | 0 | 113.7 | ||||
| 335 | F | 26.8 | Very low | 30.5 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | trans | -20.3 | 155.3 | 162 | -63.7 | -71.9 | 0 | 0 | 0 | 121.4 | ||||
| 336 | F | 26.8 | Very low | 29.7 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 91% | 0.908 | 75% | 0.745 | S | S | * | * | cis | -136.4 | 161.8 | 49.4 | -92.2 | -94.5 | 0 | 0 | 0 | 117.8 | ||||
| 337 | L | 29.4 | Very low | 28.7 | Very low | 131 Ų | 131 | 144 Ų | 144 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | trans | -109.2 | 157.9 | 168.5 | -86.4 | 166 | 0 | 0 | 0 | 111.1 | ||||
| 338 | L | 25.2 | Very low | 28.3 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | trans | -151.2 | 113.7 | 142.9 | -154.8 | 69.6 | 0 | 0 | 0 | 113.1 | ||||
| 339 | D | 25.6 | Very low | 28.1 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | trans | -68.4 | 172.7 | 162.1 | -76.3 | -68.8 | 0 | 0 | 0 | 111.8 | ||||
| 340 | S | 29.1 | Very low | 27.9 | Very low | 96 Ų | 96 | 144 Ų | 144 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | cis | -172.3 | -177.4 | -16.5 | 54.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 341 | H | 27.7 | Very low | 27.9 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | 150.5 | 161.1 | 120.5 | -148.8 | -90 | 0 | 0 | 0 | 112.7 | |||||
| 342 | A | 29 | Very low | 27.8 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | trans | -138.7 | 161.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 343 | Q | 27.5 | Very low | 27.6 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | -171.4 | 146.9 | 153.6 | -98.9 | 172.9 | -10.6 | 0 | 0 | 106.7 | ||||
| 344 | I | 27.8 | Very low | 27.2 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | cis | 112.5 | 120.5 | 15.5 | -72.6 | 169.5 | 0 | 0 | 0 | 113.2 | ||||
| 345 | Q | 26.6 | Very low | 27.1 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 89.8 | 93.8 | 152.6 | -143.7 | 156.5 | 7.3 | 0 | 0 | 123.4 | ||||
| 346 | E | 25 | Very low | 27.1 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | 72.6 | 133.7 | 108.9 | -144.5 | 179.2 | -170.8 | 0 | 0 | 125 | |||||
| 347 | T | 28.3 | Very low | 27.2 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | 77.5 | 155.3 | 148.3 | 32.5 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 348 | L | 25.4 | Very low | 27.2 | Very low | 180 Ų | 180 | 135 Ų | 135 | 94% | 0.942 | 74% | 0.743 | S | S | * | * | trans | 82.9 | 131.2 | 169.7 | -153.6 | 74.4 | 0 | 0 | 0 | 116.5 | ||||
| 349 | G | 25.1 | Very low | 27.3 | Very low | 59 Ų | 59 | 133.2 Ų | 133.2 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | cis | 160.7 | 156.2 | -10.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 350 | K | 28.5 | Very low | 27.5 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | trans | 65.9 | 161.3 | 178.8 | -82.8 | 178.5 | 165.4 | -80.3 | 0 | 115.3 | ||||
| 351 | E | 26.4 | Very low | 27.5 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | cis | -179.4 | 149.2 | -15.1 | 175.9 | 163 | -107.1 | 0 | 0 | 107.1 | ||||
| 352 | G | 25.7 | Very low | 27.8 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | cis | -157.2 | -149.6 | 3.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 353 | S | 27.5 | Very low | 28 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -127.8 | 159.8 | -162.5 | 56.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 354 | S | 25.8 | Very low | 28.3 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | 168.2 | 131.6 | 138.5 | -89.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 355 | E | 29.2 | Very low | 28.6 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | 68.9 | 140 | 71.9 | -65.8 | 179.8 | 124 | 0 | 0 | 113.6 | |||||
| 356 | L | 28.8 | Very low | 29.2 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | cis | -156.8 | 172.4 | -3.5 | -151.6 | 79.7 | 0 | 0 | 0 | 109.7 | ||||
| 357 | Q | 28.1 | Very low | 29.5 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | 145.5 | 111.8 | 127.3 | -173.4 | 121.8 | 72.1 | 0 | 0 | 114.4 | |||||
| 358 | D | 28.3 | Very low | 30.2 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 60% | 0.599 | 76% | 0.757 | S | S | * | * | trans | 22.3 | 141.7 | 137.9 | -35.4 | -41.6 | 0 | 0 | 0 | 120 | ||||
| 359 | T | 27.9 | Very low | 30.4 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | -160.5 | 166.4 | 54.8 | -50.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 360 | C | 29.6 | Very low | 30.9 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -91.6 | 159.1 | -161.9 | -45.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 361 | G | 28.9 | Very low | 30.9 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | 95.4 | 159.5 | 137.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 362 | D | 34.2 | Very low | 31.1 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | cis | -166.8 | 152.8 | -17.7 | -128.8 | 23.8 | 0 | 0 | 0 | 110.8 | ||||
| 363 | N | 33.8 | Very low | 31.2 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | 49.2 | 100.8 | 153.5 | -57.8 | -36.6 | 0 | 0 | 0 | 119.8 | ||||
| 364 | T | 34.7 | Very low | 31.2 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | 82.2 | 134.1 | 81.6 | 59 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 365 | D | 33.2 | Very low | 31.4 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | 110.3 | 135.2 | 137.6 | -153.2 | 19.4 | 0 | 0 | 0 | 120.7 | ||||
| 366 | S | 39.3 | Very low | 31.4 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 44.2 | 136.1 | 154.8 | -72.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 367 | G | 31.8 | Very low | 31.4 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 165.6 | 83.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 368 | I | 42.4 | Very low | 31.4 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -90.2 | 130.8 | 159.9 | -68.4 | 174.3 | 0 | 0 | 0 | 108.4 | ||||
| 369 | C | 28.9 | Very low | 31.3 | Very low | 128 Ų | 128 | 133 Ų | 133 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -145.2 | 131.6 | 158.6 | -87.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 370 | L | 35.9 | Very low | 31.3 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | trans | -83.4 | 142.7 | 161 | -69.2 | 162.6 | 0 | 0 | 0 | 108.4 | ||||
| 371 | Q | 27.9 | Very low | 31.7 | Very low | 187 Ų | 187 | 129.6 Ų | 129.6 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -153.5 | 128.1 | 155.7 | -159.6 | 153.2 | -9.4 | 0 | 0 | 113.6 | ||||
| 372 | E | 30.6 | Very low | 32.1 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -128.4 | 121.4 | 165.7 | 176.9 | 176.4 | -153.8 | 0 | 0 | 107.5 | ||||
| 373 | S | 28.8 | Very low | 31.7 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -172.4 | 100.5 | 165.4 | -81.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 374 | S | 27.9 | Very low | 31.4 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | 32.8 | 127.8 | 131.6 | 26.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 375 | L | 29.3 | Very low | 31.2 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | trans | 76.6 | 144.2 | 149 | -53.9 | 163.4 | 0 | 0 | 0 | 116.8 | ||||
| 376 | H | 29.6 | Very low | 30.8 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | cis | -158 | 146 | 8.5 | -139.2 | -50.9 | 0 | 0 | 0 | 114.1 | ||||
| 377 | S | 27.9 | Very low | 30.2 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | 84.3 | 153.2 | 143.7 | -148 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 378 | S | 27.8 | Very low | 30 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 73.6 | 124 | 167.4 | -154.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 379 | M | 28.1 | Very low | 29.3 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | cis | -151.4 | 156.7 | -3.9 | -107.8 | -114.8 | -71.1 | 0 | 0 | 109.4 | ||||
| 380 | G | 27.9 | Very low | 29.3 | Very low | 60 Ų | 60 | 151.5 Ų | 151.5 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | trans | -158.4 | 143.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 381 | P | 37.3 | Very low | 29 | Very low | 131 Ų | 131 | 151.5 Ų | 151.5 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -82.1 | 144.2 | -176.1 | 32.6 | -34.5 | 0 | 0 | 0 | 112.6 | ||||
| 382 | P | 36.8 | Very low | 29.2 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -94.6 | 155.8 | -178.9 | 36.8 | -34.7 | 0 | 0 | 0 | 113.1 | ||||
| 383 | W | 25.7 | Very low | 29.1 | Very low | 260 Ų | 260 | 146.2 Ų | 146.2 | 99% | 0.985 | 77% | 0.772 | S | S | * | * | trans | -122.8 | 132.9 | 154.6 | -140.1 | -58.2 | 0 | 0 | 0 | 109.1 | ||||
| 384 | K | 28.5 | Very low | 29.4 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -130.7 | 148.4 | 173.2 | -119.7 | -176.5 | -179 | -178.1 | 0 | 110.5 | ||||
| 385 | Q | 29.1 | Very low | 29.5 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -80 | 145.2 | -177.4 | -166 | 175 | 15.5 | 0 | 0 | 110.7 | ||||
| 386 | Q | 25.3 | Very low | 29.7 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -138.1 | 146 | -177.1 | -167.1 | 166.1 | -7.3 | 0 | 0 | 111.2 | ||||
| 387 | F | 26.7 | Very low | 30.1 | Very low | 200 Ų | 200 | 146.7 Ų | 146.7 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | -112.7 | 149.8 | -178.1 | -107.4 | -88.6 | 0 | 0 | 0 | 110.6 | ||||
| 388 | G | 27.1 | Very low | 30.3 | Very low | 51 Ų | 51 | 148.1 Ų | 148.1 | 53% | 0.526 | 77% | 0.768 | S | S | . | * | trans | 133.7 | 101.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 389 | Y | 28.6 | Very low | 30.5 | Very low | 223 Ų | 223 | 149.4 Ų | 149.4 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | trans | 61.8 | 163.5 | 144.1 | -46 | -74.3 | 0 | 0 | 0 | 117.8 | ||||
| 390 | T | 28.4 | Very low | 30.8 | Very low | 114 Ų | 114 | 146 Ų | 146 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | cis | -158.6 | 130.4 | 22.8 | -42.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 391 | H | 30.7 | Very low | 31 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | 60.7 | 164.1 | 158.9 | -76.8 | -118.6 | 0 | 0 | 0 | 117.6 | ||||
| 392 | Q | 30.7 | Very low | 30.5 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | cis | -156.8 | 144.7 | 30.7 | -171.9 | 166.4 | -6.7 | 0 | 0 | 113.9 | ||||
| 393 | D | 29.9 | Very low | 30.3 | Very low | 104 Ų | 104 | 150 Ų | 150 | 56% | 0.556 | 75% | 0.752 | S | S | * | * | trans | 38.3 | 148.5 | 149.2 | -52 | -10.3 | 0 | 0 | 0 | 121 | ||||
| 394 | Q | 33.7 | Very low | 31.6 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | cis | -159.3 | 179.1 | -0.1 | -110.2 | 167.7 | -101.4 | 0 | 0 | 104.7 | ||||
| 395 | D | 31 | Very low | 31.6 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | cis | -165.9 | -170.1 | 2.5 | -105.4 | -20.2 | 0 | 0 | 0 | 104.1 | ||||
| 396 | D | 33.4 | Very low | 31.6 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | cis | -175.4 | 157.1 | -41.8 | -172.7 | 48.2 | 0 | 0 | 0 | 103.7 | ||||
| 397 | S | 37.7 | Very low | 32.8 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | cis | -143.5 | -170.7 | 11.5 | -22.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 398 | D | 32.3 | Very low | 33 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | cis | -162.1 | -171.3 | -7.2 | 179.2 | 28.3 | 0 | 0 | 0 | 106.6 | ||||
| 399 | L | 31.6 | Very low | 33 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | 95.5 | 76.9 | 143 | -139.1 | 69.7 | 0 | 0 | 0 | 118.6 | ||||
| 400 | V | 33.8 | Very low | 33 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | 70.7 | 130.9 | 116.2 | 154.3 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 401 | Q | 32.6 | Very low | 33.1 | Very low | 152 Ų | 152 | 136 Ų | 136 | 71% | 0.71 | 74% | 0.736 | S | S | * | * | cis | -161.7 | 159.9 | 20.2 | -135.9 | 175.8 | 19.5 | 0 | 0 | 115.5 | ||||
| 402 | N | 27.1 | Very low | 32.9 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 74.4 | 133.8 | 147.9 | -69.7 | -26.1 | 0 | 0 | 0 | 123.7 | ||||
| 403 | S | 32.3 | Very low | 32.8 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -131.4 | -152 | 159.8 | -49.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 404 | P | 53.1 | Low | 32.7 | Very low | 132 Ų | 132 | 132 Ų | 132 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | cis | -123.6 | -161.6 | -17.5 | 44.1 | -26.4 | 0 | 0 | 0 | 110.6 | ||||
| 405 | G | 27.8 | Very low | 32.5 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 76% | 0.756 | S | S | * | * | cis | -178.1 | -166 | 8.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 406 | H | 29.9 | Very low | 32.4 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -133.8 | 166.3 | -176.5 | -162.9 | -5.8 | 0 | 0 | 0 | 108.9 | ||||
| 407 | P | 49.9 | Very low | 32.1 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | -152 | -175.8 | 111.4 | 38.4 | -19.4 | 0 | 0 | 0 | 117 | |||||
| 408 | K | 30.7 | Very low | 31.5 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -89.5 | 163.9 | -164.7 | -49.5 | 162.7 | 178.3 | 175.1 | 0 | 115.9 | ||||
| 409 | H | 27.7 | Very low | 31.2 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | -170.9 | 126.7 | 124.5 | -109.6 | -92.1 | 0 | 0 | 0 | 106.5 | |||||
| 410 | T | 29.5 | Very low | 30.9 | Very low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | 74.3 | 104.9 | 50.6 | -51.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 411 | Q | 29.3 | Very low | 30.5 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | 173.1 | 144.8 | 115.5 | -170.6 | 157 | -1.6 | 0 | 0 | 114.2 | |||||
| 412 | D | 27.8 | Very low | 30.2 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | 17.8 | 150.7 | 159.5 | -47.8 | -23 | 0 | 0 | 0 | 124.4 | ||||
| 413 | G | 27.5 | Very low | 30 | Very low | 81 Ų | 81 | 135 Ų | 135 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 160.4 | 111.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 414 | S | 29 | Very low | 30.5 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -92.2 | 138.8 | -177.5 | -65.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 415 | A | 29.1 | Very low | 29.1 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | 66.4 | 146.4 | 138.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 416 | L | 28.5 | Very low | 29.4 | Very low | 183 Ų | 183 | 140 Ų | 140 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | 57.2 | 113.5 | 148.5 | -80.3 | 160.5 | 0 | 0 | 0 | 120.4 | ||||
| 417 | G | 26.2 | Very low | 30 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 174.1 | 110.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 418 | H | 26.9 | Very low | 28.9 | Very low | 205 Ų | 205 | 139.4 Ų | 139.4 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | trans | -95.7 | 136.8 | 157.7 | -77.9 | 42.3 | 0 | 0 | 0 | 108.2 | ||||
| 419 | G | 25.7 | Very low | 28.9 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 175.1 | 122.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 420 | C | 23.7 | Very low | 29.1 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -107.7 | 171.3 | -173 | -57.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 421 | L | 25.5 | Very low | 29.2 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | 75.5 | 130.3 | 170.3 | -48.3 | 171.7 | 0 | 0 | 0 | 113.6 | ||||
| 422 | L | 26.2 | Very low | 29.3 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | -155.3 | 155.5 | 55.3 | -86.2 | 164.9 | 0 | 0 | 0 | 114.2 | |||||
| 423 | E | 24.1 | Very low | 29.3 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -90.7 | -176.1 | 158.2 | -120.7 | -175.3 | 102 | 0 | 0 | 109.2 | ||||
| 424 | P | 43 | Very low | 29.3 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -133.7 | 178.7 | -12.3 | 39.7 | -23.7 | 0 | 0 | 0 | 114.2 | ||||
| 425 | E | 23.7 | Very low | 29.5 | Very low | 191 Ų | 191 | 139 Ų | 139 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -157.7 | 128.2 | 137.7 | -137.8 | 171.4 | -155.3 | 0 | 0 | 112 | ||||
| 426 | V | 34.3 | Very low | 29.6 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -152.1 | 135.2 | 175.3 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 427 | P | 41.5 | Very low | 29.6 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | trans | -126 | 135.4 | 154 | 34.7 | -22.4 | 0 | 0 | 0 | 114 | ||||
| 428 | E | 27.9 | Very low | 29.9 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | 74.6 | 139.2 | 133.7 | -73.2 | 177.2 | 155.2 | 0 | 0 | 120.8 | ||||
| 429 | E | 30.4 | Very low | 30 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 61% | 0.607 | 75% | 0.747 | S | S | * | * | cis | -160.6 | 137.1 | -5.1 | -174.5 | 179 | -155.5 | 0 | 0 | 112.5 | ||||
| 430 | K | 30.9 | Very low | 30.4 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | 58.5 | 148.7 | 158.2 | -73.9 | 168.5 | -171.5 | 152.8 | 0 | 118.7 | ||||
| 431 | D | 31 | Very low | 30.8 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | cis | -162.3 | 175.7 | 5.9 | -126.2 | -8.1 | 0 | 0 | 0 | 109.6 | ||||
| 432 | Q | 31.6 | Very low | 31 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | cis | -155.7 | 169.7 | 2.2 | -148.7 | 170.7 | 86.7 | 0 | 0 | 110.4 | ||||
| 433 | V | 29.5 | Very low | 31.4 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | trans | 47.1 | 108.7 | 163.3 | -162.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 434 | M | 27.4 | Very low | 31.7 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -138 | 146.8 | 148.2 | 177.4 | -178.6 | 65.1 | 0 | 0 | 109.1 | ||||
| 435 | V | 32.5 | Very low | 30.8 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -131.9 | 78 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 436 | T | 30.9 | Very low | 30.7 | Very low | 97 Ų | 97 | 150.6 Ų | 150.6 | 60% | 0.595 | 74% | 0.742 | S | S | * | * | 72 | 121.3 | 100.1 | 60.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 437 | F | 27.9 | Very low | 30.3 | Very low | 203 Ų | 203 | 150.4 Ų | 150.4 | 89% | 0.89 | 73% | 0.73 | S | S | * | * | -157.3 | 140 | 120.2 | -134.2 | -99 | 0 | 0 | 0 | 112.9 | |||||
| 438 | Q | 33 | Very low | 29.6 | Very low | 148 Ų | 148 | 152 Ų | 152 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | -124.5 | 158.6 | 162.5 | -73.2 | -175.7 | -7 | 0 | 0 | 106.6 | Y440 | Q438-Y440 HydrophobicContact CB-CE2 4.37Š| ||
| 439 | G | 29.4 | Very low | 29.5 | Very low | 59 Ų | 59 | 151.6 Ų | 151.6 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | cis | 156.4 | 180 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 440 | Y | 33.1 | Very low | 29.3 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | 66.6 | 165.1 | 164.5 | -48.5 | -72.2 | 0 | 0 | 0 | 117.9 | Q438 | Q438-Y440 HydrophobicContact CB-CE2 4.37Š| ||
| 441 | Q | 32.6 | Very low | 29.1 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | cis | -162.5 | 160.5 | -46.9 | -156.9 | -164.2 | 23.1 | 0 | 0 | 109.9 | ||||
| 442 | K | 29.8 | Very low | 29 | Very low | 174 Ų | 174 | 148.9 Ų | 148.9 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | trans | 85.6 | 163.5 | 154 | -90 | 165.2 | -177.6 | 158.1 | 0 | 120.6 | ||||
| 443 | Q | 34.2 | Very low | 29.7 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | -121.5 | 158.6 | -162.4 | -47.8 | 148.2 | -78 | 0 | 0 | 110.9 | ||||
| 444 | T | 30.3 | Very low | 29.7 | Very low | 141 Ų | 141 | 148 Ų | 148 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | trans | -171.7 | 127.1 | 132.1 | 22.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 445 | R | 25.9 | Very low | 29.9 | Very low | 229 Ų | 229 | 147.1 Ų | 147.1 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | 33.1 | 102.4 | 129.2 | -171.5 | 179 | -74.8 | 177.6 | -3.6 | 121.7 | |||||
| 446 | W | 21 | Very low | 29.9 | Very low | 217 Ų | 217 | 144.6 Ų | 144.6 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | 63.9 | 122 | 115.9 | -165.5 | -113 | 0 | 0 | 0 | 124.2 | |||||
| 447 | K | 25.4 | Very low | 29.9 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 56% | 0.557 | 75% | 0.75 | S | S | * | * | trans | 87.2 | 130.9 | 145.1 | -117.1 | -166.9 | 178.9 | -140.7 | 0 | 123.8 | ||||
| 448 | E | 27.5 | Very low | 30.1 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 63% | 0.631 | 74% | 0.74 | S | S | * | * | trans | 62.2 | 154 | 142.8 | -98.8 | 152.2 | -145 | 0 | 0 | 120 | ||||
| 449 | E | 25.2 | Very low | 30.6 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | cis | -153 | -179.2 | 9.6 | -161.1 | 163.9 | -158.8 | 0 | 0 | 111.3 | ||||
| 450 | A | 26.9 | Very low | 30.5 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | 74.8 | 145.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 451 | A | 26.3 | Very low | 30.2 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | cis | -166.1 | 150.6 | -19.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 452 | E | 28.5 | Very low | 30 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | 36.7 | 161.8 | 128.3 | -63 | -75.6 | 95.2 | 0 | 0 | 122.7 | |||||
| 453 | P | 47.4 | Very low | 30 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 59% | 0.591 | 76% | 0.761 | S | S | * | * | cis | -135.8 | 179.4 | -23.3 | 30.8 | -10 | 0 | 0 | 0 | 114.1 | ||||
| 454 | L | 28.4 | Very low | 29.7 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 143 | 131.8 | 132.8 | -78.4 | 165.1 | 0 | 0 | 0 | 111.2 | ||||
| 455 | D | 31.7 | Very low | 29.6 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | cis | 172.4 | 147.7 | -23.9 | 169.8 | 25.1 | 0 | 0 | 0 | 103.9 | ||||
| 456 | G | 31.6 | Very low | 30.6 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 159.7 | 68.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 457 | E | 30.9 | Very low | 31 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | -63.3 | 162.9 | 168.6 | -67.9 | -152.7 | 114.6 | 0 | 0 | 113.2 | ||||
| 458 | I | 34 | Very low | 31.1 | Very low | 133 Ų | 133 | 137 Ų | 137 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | cis | -169.3 | 170.6 | 5.6 | -124.6 | 178.1 | 0 | 0 | 0 | 108.7 | ||||
| 459 | P | 42.3 | Very low | 31 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | cis | -134.5 | -172.4 | -25.6 | 42.9 | -26 | 0 | 0 | 0 | 114.2 | ||||
| 460 | L | 26.7 | Very low | 31.2 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | 20.1 | 142.4 | 146.7 | -83 | 72.8 | 0 | 0 | 0 | 121.2 | ||||
| 461 | A | 28 | Very low | 31.2 | Very low | 87 Ų | 87 | 138.4 Ų | 138.4 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | cis | -154.6 | 158 | 40.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 462 | E | 27.6 | Very low | 31.5 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | 3.6 | 111.5 | 161.8 | -57.5 | 180 | 128.3 | 0 | 0 | 121.5 | ||||
| 463 | A | 30.1 | Very low | 31.6 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -159.7 | 153.3 | 128 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 464 | F | 27.2 | Very low | 30.5 | Very low | 218 Ų | 218 | 141.3 Ų | 141.3 | 96% | 0.956 | 79% | 0.792 | S | S | * | * | trans | -87.2 | 147.4 | -179.8 | -80.3 | -97.7 | 0 | 0 | 0 | 112.9 | ||||
| 465 | D | 29.1 | Very low | 30.6 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -126.8 | -174.2 | -178.5 | -152.6 | 41.5 | 0 | 0 | 0 | 108.4 | ||||
| 466 | P | 45.8 | Very low | 30.6 | Very low | 100 Ų | 100 | 141 Ų | 141 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | -126.3 | -148.6 | -86.9 | 43.9 | -30.8 | 0 | 0 | 0 | 113.8 | |||||
| 467 | E | 29.8 | Very low | 30.6 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -24.3 | 145.2 | 169.4 | -55.9 | -176.2 | 120 | 0 | 0 | 118.5 | ||||
| 468 | L | 27.4 | Very low | 30.8 | Very low | 174 Ų | 174 | 146 Ų | 146 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -130.8 | 115.4 | 133.7 | -150.1 | 85.3 | 0 | 0 | 0 | 109.8 | ||||
| 469 | G | 26.9 | Very low | 30.9 | Very low | 69 Ų | 69 | 144.2 Ų | 144.2 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | -78.9 | 145.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 470 | V | 29.5 | Very low | 30.5 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -116 | 125.5 | 167.2 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 471 | R | 26.8 | Very low | 30.7 | Very low | 220 Ų | 220 | 144.6 Ų | 144.6 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | -95.9 | 109.5 | -175.9 | -173.8 | -167 | -160.4 | -168.8 | 8.8 | 110.6 | ||||
| 472 | L | 32.1 | Very low | 30.8 | Very low | 169 Ų | 169 | 145 Ų | 145 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -126.4 | 155.1 | 160.2 | -76.9 | 176.2 | 0 | 0 | 0 | 110.1 | ||||
| 473 | Q | 29.5 | Very low | 31.1 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -147.1 | 133.1 | -156.3 | 173.7 | 178.2 | -10.2 | 0 | 0 | 109.8 | ||||
| 474 | G | 26 | Very low | 31.3 | Very low | 67 Ų | 67 | 144.1 Ų | 144.1 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | 152.4 | 22.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | S476 | G474-S476 PolarHBondContact O-N 3.33Š| ||
| 475 | D | 29.6 | Very low | 31.6 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -70.1 | 112.6 | 172.3 | -92.3 | -20.6 | 0 | 0 | 0 | 111.4 | A477 | D475-A477 PolarHBondContact O-N 3.41Š| ||
| 476 | S | 31.7 | Very low | 31.6 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -93.1 | 78.2 | -178.5 | 44.3 | 0 | 0 | 0 | 0 | 112.4 | G474 | G474-S476 PolarHBondContact O-N 3.33Š| ||
| 477 | A | 31.4 | Very low | 30.9 | Very low | 97 Ų | 97 | 143 Ų | 143 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 133.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | D475 | D475-A477 PolarHBondContact O-N 3.41Š|
| 478 | W | 35.3 | Very low | 30.8 | Very low | 247 Ų | 247 | 141.2 Ų | 141.2 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 146.3 | 172.4 | -157.2 | -101.4 | 0 | 0 | 0 | 110.5 | ||
| 479 | P | 35.4 | Very low | 31 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 62% | 0.617 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 157.7 | -160.4 | 27.7 | -37.3 | 0 | 0 | 0 | 115.9 | ||
| 480 | P | 34.1 | Very low | 31 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 145.6 | 178.2 | 31.1 | -35.4 | 0 | 0 | 0 | 113 | ||
| 481 | V | 32.3 | Very low | 30.9 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 134 | 170.3 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 482 | A | 29.9 | Very low | 31 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 134 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 483 | L | 33.2 | Very low | 31 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 139.6 | 166.9 | -87.6 | 165.2 | 0 | 0 | 0 | 110.3 | ||
| 484 | A | 34.4 | Very low | 31.1 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 123.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 485 | T | 33.8 | Very low | 31.1 | Very low | 147 Ų | 147 | 143 Ų | 143 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -143.3 | 135.9 | 162.2 | 46.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 486 | G | 28.5 | Very low | 30.9 | Very low | 64 Ų | 64 | 138.7 Ų | 138.7 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | trans | -111 | -149.1 | -168 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 487 | Y | 30.5 | Very low | 30.8 | Very low | 229 Ų | 229 | 138.6 Ų | 138.6 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | 73.6 | 155.5 | -174.5 | -53.3 | -83.7 | 0 | 0 | 0 | 116.5 | ||||
| 488 | L | 29.1 | Very low | 30.5 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | -164.5 | 131.4 | -54.6 | -140.2 | 157.6 | 0 | 0 | 0 | 109.3 | |||||
| 489 | K | 30.1 | Very low | 31.6 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | 66.5 | 162.9 | 168.9 | -98.3 | 175.7 | 160.5 | -145.3 | 0 | 116.1 | ||||
| 490 | Q | 27.7 | Very low | 32.1 | Very low | 146 Ų | 146 | 134 Ų | 134 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | cis | -138.1 | -178.9 | 4.1 | -155.7 | 157.3 | -88.2 | 0 | 0 | 112.6 | ||||
| 491 | E | 27.4 | Very low | 31.8 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | -86.3 | 165.4 | -162 | -49.1 | 124.8 | 100.6 | 0 | 0 | 117.5 | ||||
| 492 | S | 29.7 | Very low | 31.8 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -146.3 | 151.5 | 137.7 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 493 | Q | 32.3 | Very low | 32.5 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -60.2 | 159.3 | -174.4 | -54.9 | 129.9 | -6.7 | 0 | 0 | 113.2 | ||||
| 494 | G | 29.9 | Very low | 32.3 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | cis | 177.1 | -158.3 | 7.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 495 | M | 26.1 | Very low | 31.9 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | cis | -171.1 | 129.5 | -10.8 | 171.8 | 56.9 | 173.5 | 0 | 0 | 110.1 | ||||
| 496 | A | 27 | Very low | 31.6 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | trans | 62.7 | 148.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 497 | S | 27.8 | Very low | 31.6 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | cis | -144.8 | 171.1 | 23 | -60.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 498 | A | 26.9 | Very low | 31.5 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -156.3 | -175.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 499 | P | 57.8 | Low | 31.6 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | cis | -108.8 | -140.7 | -13.5 | 43.8 | -29.6 | 0 | 0 | 0 | 108.7 | ||||
| 500 | P | 45.7 | Very low | 31.5 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | cis | -119.5 | -160.5 | -13.8 | 45.7 | -29.5 | 0 | 0 | 0 | 111.8 | ||||
| 501 | G | 27.5 | Very low | 31.4 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | cis | -176.3 | 153.7 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 502 | T | 32.2 | Very low | 31.6 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -84.1 | 165.3 | -176.2 | -10.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 503 | P | 44.7 | Very low | 31.5 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | -156.7 | 162.5 | 80.7 | 42.1 | -21.7 | 0 | 0 | 0 | 120.2 | |||||
| 504 | S | 28.5 | Very low | 31.2 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 60.2 | 121.2 | 140.2 | 66.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 505 | R | 27 | Very low | 31 | Very low | 253 Ų | 253 | 136.5 Ų | 136.5 | 96% | 0.955 | 78% | 0.781 | S | S | * | * | -144.3 | 159.8 | 103.8 | -131 | 179.4 | -174.4 | -165.5 | 0.4 | 110 | |||||
| 506 | Q | 27.3 | Very low | 31.2 | Very low | 155 Ų | 155 | 135 Ų | 135 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | -142.4 | 143.8 | -160.3 | 99.4 | 167.6 | 64 | 0 | 0 | 114.5 | ||||
| 507 | W | 28.8 | Very low | 31.2 | Very low | 199 Ų | 199 | 138.7 Ų | 138.7 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 66.8 | 158.8 | 158.3 | -71.8 | 61.1 | 0 | 0 | 0 | 117.6 | ||||
| 508 | N | 27.5 | Very low | 31.1 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | cis | -131.5 | 163.8 | 18.8 | -64 | -88 | 0 | 0 | 0 | 114.3 | ||||
| 509 | Q | 32.8 | Very low | 31.3 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -115.7 | 146.4 | 156.5 | -90.3 | -172 | -28.5 | 0 | 0 | 110.2 | ||||
| 510 | L | 27.2 | Very low | 29.9 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -155.3 | 131.6 | 149 | -96.4 | 123.9 | 0 | 0 | 0 | 104.5 | ||||
| 511 | A | 25.9 | Very low | 28.8 | Very low | 74 Ų | 74 | 138.2 Ų | 138.2 | 61% | 0.612 | 78% | 0.779 | S | S | * | * | 65.9 | 123.2 | 50.2 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 512 | E | 30.3 | Very low | 28.8 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | cis | -152.5 | 164.4 | 12.8 | -111.3 | 153.1 | 172.3 | 0 | 0 | 111 | ||||
| 513 | E | 28.2 | Very low | 28.7 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 53.9 | 143.3 | 149.6 | -68.6 | -175.6 | 159.4 | 0 | 0 | 121.4 | ||||
| 514 | S | 26 | Very low | 27.9 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | cis | -159.1 | 156.4 | 7.1 | 38.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 515 | S | 26.9 | Very low | 27.9 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 15.5 | 150.4 | 135.7 | -59.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 516 | L | 28.5 | Very low | 27.9 | Very low | 148 Ų | 148 | 138 Ų | 138 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | cis | -178 | 171.5 | -20.3 | -122.1 | 173.2 | 0 | 0 | 0 | 109 | ||||
| 517 | L | 27.7 | Very low | 28 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | 70.4 | 147.5 | 160.4 | -69.7 | 162.6 | 0 | 0 | 0 | 119.7 | ||||
| 518 | G | 25.3 | Very low | 27.9 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 165.5 | 57.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 519 | V | 32 | Very low | 28 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -119.5 | 117.4 | -178 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 520 | V | 27.5 | Very low | 27.8 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -150 | 112.4 | 164.7 | -173.9 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 521 | S | 24 | Very low | 27.7 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | 70.9 | 136.6 | 72.5 | -152.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 522 | C | 26.5 | Very low | 27.7 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -103.4 | -166.3 | 174.2 | -69.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 523 | E | 29.9 | Very low | 27.7 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | 83.9 | 130 | -176.8 | -60.9 | 176.2 | 127 | 0 | 0 | 114.1 | ||||
| 524 | D | 28.8 | Very low | 27.7 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -161.3 | -176.5 | -10.6 | -165.8 | 12.7 | 0 | 0 | 0 | 110.3 | ||||
| 525 | L | 28.4 | Very low | 27.7 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 78.9 | 148.4 | 167.6 | -50.6 | 177.4 | 0 | 0 | 0 | 117.7 | ||||
| 526 | S | 27.3 | Very low | 27.8 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 60% | 0.601 | 77% | 0.774 | S | S | * | * | cis | -171.2 | 128.3 | -21.4 | 53 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 527 | I | 27.5 | Very low | 28 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | trans | 67.1 | 159.1 | 140.5 | -48.2 | 165 | 0 | 0 | 0 | 118.8 | ||||
| 528 | E | 28.7 | Very low | 28.7 | Very low | 177 Ų | 177 | 132 Ų | 132 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | 75.1 | 151.5 | 173.9 | -52.9 | -160.8 | 176.6 | 0 | 0 | 118.5 | ||||
| 529 | S | 28.2 | Very low | 29 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | 171.4 | 157.7 | -60.5 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 530 | L | 28.6 | Very low | 28.8 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 93% | 0.927 | 76% | 0.758 | S | S | * | * | trans | 63.6 | 161.6 | -179.1 | -82.5 | 67.7 | 0 | 0 | 0 | 114.7 | ||||
| 531 | G | 24.8 | Very low | 28.8 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | cis | -168.5 | 165.7 | -3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 532 | F | 26.8 | Very low | 28.9 | Very low | 210 Ų | 210 | 133.2 Ų | 133.2 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -83.3 | 143.4 | 180 | -93.6 | -102.4 | 0 | 0 | 0 | 112.9 | ||||
| 533 | A | 29.7 | Very low | 29.2 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | trans | 56.6 | 142.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 534 | H | 28.8 | Very low | 29.2 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | -171.2 | 151.2 | 109.1 | -110.8 | -108.3 | 0 | 0 | 0 | 112.1 | |||||
| 535 | E | 26.2 | Very low | 29.2 | Very low | 152 Ų | 152 | 127 Ų | 127 | 71% | 0.71 | 76% | 0.764 | S | S | * | * | trans | 37.8 | 123.3 | 148.4 | -68.8 | 176.7 | 116.5 | 0 | 0 | 121.8 | ||||
| 536 | L | 28.4 | Very low | 29.3 | Very low | 144 Ų | 144 | 126 Ų | 126 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | 91.8 | 92 | 58.8 | -78.5 | -174 | 0 | 0 | 0 | 115.4 | |||||
| 537 | V | 32 | Very low | 29.4 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 53 | 180 | 143.9 | -101.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 538 | P | 44 | Very low | 29.6 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 63% | 0.63 | 78% | 0.776 | S | S | * | * | cis | -132.8 | 177.2 | -3.5 | 42.6 | -26.4 | 0 | 0 | 0 | 117.2 | ||||
| 539 | L | 29.9 | Very low | 29.7 | Very low | 151 Ų | 151 | 123.7 Ų | 123.7 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 67.9 | 150.2 | 145.3 | -78.3 | 160.1 | 0 | 0 | 0 | 119.4 | ||||
| 540 | D | 28 | Very low | 29.9 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | cis | -159.3 | 172 | -5.5 | -163 | 14.6 | 0 | 0 | 0 | 112.9 | ||||
| 541 | C | 28.1 | Very low | 30 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 69.4 | 128.9 | 149.3 | -91.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 542 | G | 27 | Very low | 30.3 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | 167 | 113.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 543 | A | 31.6 | Very low | 30.4 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -114.9 | 154 | -159.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 544 | A | 30.1 | Very low | 30.7 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | 70.4 | 154.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 545 | S | 29.9 | Very low | 30.9 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | cis | -160.6 | 158.2 | 20.7 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 546 | S | 30.1 | Very low | 31.2 | Very low | 123 Ų | 123 | 125 Ų | 125 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 63.3 | 151.8 | 166 | 72.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 547 | G | 28.6 | Very low | 31.8 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | cis | 143.6 | 91.9 | -15.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 548 | L | 31.5 | Very low | 32 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -175.5 | 125.9 | 160.1 | -92.6 | 152.5 | 0 | 0 | 0 | 105.1 | ||||
| 549 | L | 32.7 | Very low | 31.6 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | 64.2 | 127.7 | 60.7 | -68 | 173.2 | 0 | 0 | 0 | 113.3 | |||||
| 550 | D | 30.5 | Very low | 32.6 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | cis | -164.1 | -170.9 | -5.7 | -156.8 | -5.7 | 0 | 0 | 0 | 111.1 | ||||
| 551 | S | 31.1 | Very low | 33 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 98.5 | 93.2 | 162.2 | 74.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 552 | L | 31.4 | Very low | 33.3 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | trans | -127.1 | 120.9 | 150 | -112 | 168.5 | 0 | 0 | 0 | 108.4 | ||||
| 553 | G | 30.1 | Very low | 33.5 | Very low | 80 Ų | 80 | 130.3 Ų | 130.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -75.2 | 124.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 554 | T | 35.8 | Very low | 33.7 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | -77.8 | 150.2 | 179.1 | 46 | 0 | 0 | 0 | 0 | 113 | ||||
| 555 | N | 33.1 | Very low | 34 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | -162.5 | 125.8 | 128.9 | -97 | -45 | 0 | 0 | 0 | 110.3 | |||||
| 556 | L | 32.2 | Very low | 34.2 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -136.8 | 130.7 | 179.6 | -113.1 | 170.8 | 0 | 0 | 0 | 108 | ||||
| 557 | V | 40.5 | Very low | 34.7 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -129.3 | 103.4 | -175.4 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 558 | T | 35.8 | Very low | 35.2 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | 47.1 | 116.1 | 154.6 | 59.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 559 | L | 36.3 | Very low | 35.5 | Very low | 154 Ų | 154 | 147.7 Ų | 147.7 | 81% | 0.806 | 83% | 0.827 | S | S | * | * | trans | -72.2 | 170.9 | 148.2 | -66.2 | 166.7 | 0 | 0 | 0 | 110.8 | ||||
| 560 | P | 51.3 | Low | 35.7 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | -134.3 | 171.9 | 99.4 | 38.6 | -29.8 | 0 | 0 | 0 | 114.9 | |||||
| 561 | L | 35.4 | Very low | 35.9 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | trans | -88.2 | 152.3 | -172.9 | -55.8 | 80 | 0 | 0 | 0 | 113.6 | ||||
| 562 | I | 34.2 | Very low | 36.2 | Very low | 176 Ų | 176 | 150.2 Ų | 150.2 | 90% | 0.903 | 84% | 0.837 | S | S | * | * | trans | -134.1 | 157.8 | 141.5 | -64.5 | -171.8 | 0 | 0 | 0 | 108 | ||||
| 563 | S | 31.9 | Very low | 36.5 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | trans | -117.5 | -173.9 | -170.8 | -168.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 564 | S | 35.4 | Very low | 36.9 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | 68.5 | 129.8 | -174.5 | 65.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 565 | L | 36.3 | Very low | 36.9 | Very low | 149 Ų | 149 | 155.4 Ų | 155.4 | 78% | 0.78 | 84% | 0.84 | S | S | * | * | cis | 89.1 | 79.6 | 10.8 | -147.9 | -179.9 | 0 | 0 | 0 | 116.7 | ||||
| 566 | Q | 35.1 | Very low | 37.2 | Very low | 170 Ų | 170 | 155 Ų | 155 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | trans | -162.7 | 141.2 | 149.1 | -99.7 | 171.4 | -83.5 | 0 | 0 | 104.4 | ||||
| 567 | I | 40.1 | Very low | 37.6 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 76% | 0.764 | 83% | 0.832 | S | S | * | * | cis | 61.4 | 93.4 | 30.1 | -52.2 | -179.1 | 0 | 0 | 0 | 113 | ||||
| 568 | E | 38.8 | Very low | 37.4 | Very low | 188 Ų | 188 | 156.1 Ų | 156.1 | 88% | 0.879 | 84% | 0.84 | S | S | * | * | trans | -149 | 170.8 | 150.6 | -158.1 | 142.1 | -143.2 | 0 | 0 | 108.7 | ||||
| 569 | E | 38 | Very low | 37.5 | Very low | 261 Ų | 261 | 158.5 Ų | 158.5 | 100% | 1.22 | 84% | 0.844 | S | S | * | * | trans | -102.6 | 0 | -164.2 | -171.2 | 172.6 | -174.9 | 0 | 0 | 113.2 |
Retrieved 569 of 569 residues in 899 ms
(Link to these results)